USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 406 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 25 LYS NZ :NH3+ 155:sc= -0.0232 (180deg=0) USER MOD Set 1.2: A 41 LYS NZ :NH3+ 146:sc= 0.258 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.786 K(o=-0.79,f=-3.6!) USER MOD Single : A 51 THR OG1 : rot 107:sc= -0.163 USER MOD Single : A 57 ASN : amide:sc= -1.44 K(o=-1.4,f=-5.6!) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.0221 USER MOD Single : A 69 GLN : amide:sc= -0.408 X(o=-0.41,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0645 USER MOD Single : A 71 GLN : amide:sc= -0.517 K(o=-0.52,f=0) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 22 9.869 8.602 4.836 1.00 0.00 N ATOM 230 CA VAL A 22 8.415 8.919 4.908 1.00 0.00 C ATOM 231 C VAL A 22 7.671 8.176 3.796 1.00 0.00 C ATOM 232 O VAL A 22 8.268 7.678 2.862 1.00 0.00 O ATOM 233 CB VAL A 22 8.211 10.426 4.737 1.00 0.00 C ATOM 234 CG1 VAL A 22 6.896 10.842 5.397 1.00 0.00 C ATOM 235 CG2 VAL A 22 9.371 11.175 5.397 1.00 0.00 C ATOM 0 HA VAL A 22 8.026 8.606 5.877 1.00 0.00 H new ATOM 0 HB VAL A 22 8.177 10.669 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.751 11.915 5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.069 10.309 4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.929 10.599 6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.227 12.249 5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.404 10.931 6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.309 10.880 4.927 1.00 0.00 H new ATOM 245 N VAL A 23 6.370 8.101 3.887 1.00 0.00 N ATOM 246 CA VAL A 23 5.588 7.393 2.836 1.00 0.00 C ATOM 247 C VAL A 23 4.943 8.424 1.908 1.00 0.00 C ATOM 248 O VAL A 23 4.365 9.396 2.352 1.00 0.00 O ATOM 249 CB VAL A 23 4.498 6.547 3.495 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.708 7.409 4.481 1.00 0.00 C ATOM 251 CG2 VAL A 23 3.551 6.008 2.420 1.00 0.00 C ATOM 0 H VAL A 23 5.816 8.500 4.645 1.00 0.00 H new ATOM 0 HA VAL A 23 6.250 6.746 2.260 1.00 0.00 H new ATOM 0 HB VAL A 23 4.958 5.714 4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.931 6.806 4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.381 7.795 5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.248 8.242 3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.774 5.405 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.092 6.842 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.112 5.393 1.716 1.00 0.00 H new ATOM 261 N GLU A 24 5.040 8.222 0.624 1.00 0.00 N ATOM 262 CA GLU A 24 4.434 9.195 -0.328 1.00 0.00 C ATOM 263 C GLU A 24 3.026 8.730 -0.707 1.00 0.00 C ATOM 264 O GLU A 24 2.160 9.528 -1.008 1.00 0.00 O ATOM 265 CB GLU A 24 5.298 9.284 -1.588 1.00 0.00 C ATOM 266 CG GLU A 24 5.573 10.753 -1.918 1.00 0.00 C ATOM 267 CD GLU A 24 4.383 11.337 -2.681 1.00 0.00 C ATOM 268 OE1 GLU A 24 4.090 10.837 -3.755 1.00 0.00 O ATOM 269 OE2 GLU A 24 3.786 12.275 -2.179 1.00 0.00 O ATOM 0 H GLU A 24 5.512 7.427 0.193 1.00 0.00 H new ATOM 0 HA GLU A 24 4.378 10.176 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.238 8.753 -1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.791 8.802 -2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.742 11.317 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.480 10.838 -2.517 1.00 0.00 H new ATOM 276 N LYS A 25 2.789 7.446 -0.699 1.00 0.00 N ATOM 277 CA LYS A 25 1.439 6.937 -1.061 1.00 0.00 C ATOM 278 C LYS A 25 1.520 5.430 -1.302 1.00 0.00 C ATOM 279 O LYS A 25 2.591 4.859 -1.360 1.00 0.00 O ATOM 280 CB LYS A 25 0.953 7.633 -2.334 1.00 0.00 C ATOM 281 CG LYS A 25 2.137 7.861 -3.276 1.00 0.00 C ATOM 282 CD LYS A 25 1.794 7.321 -4.666 1.00 0.00 C ATOM 283 CE LYS A 25 1.076 8.405 -5.472 1.00 0.00 C ATOM 284 NZ LYS A 25 1.860 8.710 -6.702 1.00 0.00 N ATOM 0 H LYS A 25 3.473 6.729 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 25 0.740 7.142 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.195 7.025 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.485 8.585 -2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.370 8.924 -3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.025 7.361 -2.889 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.703 7.011 -5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.161 6.438 -4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.074 8.070 -5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.960 9.305 -4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.226 9.093 -7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.595 9.411 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.307 7.839 -7.054 1.00 0.00 H new ATOM 298 N VAL A 26 0.399 4.780 -1.441 1.00 0.00 N ATOM 299 CA VAL A 26 0.422 3.311 -1.678 1.00 0.00 C ATOM 300 C VAL A 26 0.387 3.037 -3.183 1.00 0.00 C ATOM 301 O VAL A 26 -0.218 3.766 -3.943 1.00 0.00 O ATOM 302 CB VAL A 26 -0.792 2.668 -1.009 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.777 1.164 -1.270 1.00 0.00 C ATOM 304 CG2 VAL A 26 -0.734 2.914 0.499 1.00 0.00 C ATOM 0 H VAL A 26 -0.529 5.201 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 26 1.333 2.887 -1.255 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.703 3.105 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.642 0.703 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.814 0.981 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.136 0.733 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.600 2.455 0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.178 2.476 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.739 3.987 0.693 1.00 0.00 H new ATOM 314 N LEU A 27 1.036 1.993 -3.617 1.00 0.00 N ATOM 315 CA LEU A 27 1.045 1.673 -5.072 1.00 0.00 C ATOM 316 C LEU A 27 0.257 0.385 -5.320 1.00 0.00 C ATOM 317 O LEU A 27 -0.531 0.298 -6.240 1.00 0.00 O ATOM 318 CB LEU A 27 2.489 1.484 -5.543 1.00 0.00 C ATOM 319 CG LEU A 27 3.038 2.816 -6.056 1.00 0.00 C ATOM 320 CD1 LEU A 27 2.844 3.894 -4.989 1.00 0.00 C ATOM 321 CD2 LEU A 27 4.530 2.666 -6.363 1.00 0.00 C ATOM 0 H LEU A 27 1.561 1.347 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 27 0.584 2.492 -5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.105 1.117 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.530 0.734 -6.333 1.00 0.00 H new ATOM 0 HG LEU A 27 2.506 3.103 -6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.236 4.843 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.782 4.001 -4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.376 3.608 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.923 3.614 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.061 2.379 -5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.670 1.898 -7.124 1.00 0.00 H new ATOM 333 N ASP A 28 0.465 -0.618 -4.510 1.00 0.00 N ATOM 334 CA ASP A 28 -0.275 -1.895 -4.711 1.00 0.00 C ATOM 335 C ASP A 28 0.025 -2.851 -3.553 1.00 0.00 C ATOM 336 O ASP A 28 0.708 -2.504 -2.610 1.00 0.00 O ATOM 337 CB ASP A 28 0.165 -2.537 -6.028 1.00 0.00 C ATOM 338 CG ASP A 28 -0.792 -2.120 -7.145 1.00 0.00 C ATOM 339 OD1 ASP A 28 -1.959 -1.914 -6.852 1.00 0.00 O ATOM 340 OD2 ASP A 28 -0.344 -2.014 -8.275 1.00 0.00 O ATOM 0 H ASP A 28 1.112 -0.608 -3.722 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.345 -1.691 -4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.182 -2.230 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.175 -3.623 -5.930 1.00 0.00 H new ATOM 345 N ARG A 29 -0.480 -4.053 -3.620 1.00 0.00 N ATOM 346 CA ARG A 29 -0.225 -5.031 -2.526 1.00 0.00 C ATOM 347 C ARG A 29 -0.261 -6.451 -3.095 1.00 0.00 C ATOM 348 O ARG A 29 -0.738 -6.679 -4.190 1.00 0.00 O ATOM 349 CB ARG A 29 -1.303 -4.884 -1.450 1.00 0.00 C ATOM 350 CG ARG A 29 -2.648 -5.356 -2.006 1.00 0.00 C ATOM 351 CD ARG A 29 -2.969 -6.746 -1.456 1.00 0.00 C ATOM 352 NE ARG A 29 -4.444 -6.954 -1.461 1.00 0.00 N ATOM 353 CZ ARG A 29 -4.940 -8.105 -1.826 1.00 0.00 C ATOM 354 NH1 ARG A 29 -4.268 -9.202 -1.610 1.00 0.00 N ATOM 355 NH2 ARG A 29 -6.107 -8.157 -2.407 1.00 0.00 N ATOM 0 H ARG A 29 -1.058 -4.399 -4.386 1.00 0.00 H new ATOM 0 HA ARG A 29 0.754 -4.840 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.036 -5.469 -0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.374 -3.844 -1.131 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.434 -4.654 -1.729 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.614 -5.383 -3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.481 -7.510 -2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.580 -6.846 -0.443 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.067 -6.197 -1.179 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.356 -9.160 -1.156 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.655 -10.102 -1.895 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.631 -7.299 -2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.495 -9.056 -2.692 1.00 0.00 H new ATOM 369 N ARG A 30 0.240 -7.408 -2.363 1.00 0.00 N ATOM 370 CA ARG A 30 0.233 -8.812 -2.865 1.00 0.00 C ATOM 371 C ARG A 30 0.408 -9.775 -1.690 1.00 0.00 C ATOM 372 O ARG A 30 1.181 -9.532 -0.784 1.00 0.00 O ATOM 373 CB ARG A 30 1.383 -9.004 -3.856 1.00 0.00 C ATOM 374 CG ARG A 30 2.717 -8.922 -3.112 1.00 0.00 C ATOM 375 CD ARG A 30 3.868 -9.134 -4.097 1.00 0.00 C ATOM 376 NE ARG A 30 4.786 -10.182 -3.570 1.00 0.00 N ATOM 377 CZ ARG A 30 5.467 -10.929 -4.395 1.00 0.00 C ATOM 378 NH1 ARG A 30 5.563 -10.591 -5.652 1.00 0.00 N ATOM 379 NH2 ARG A 30 6.050 -12.014 -3.963 1.00 0.00 N ATOM 0 H ARG A 30 0.654 -7.279 -1.440 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.715 -9.015 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.291 -9.969 -4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.340 -8.240 -4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.815 -7.951 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.754 -9.677 -2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.478 -9.433 -5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.411 -8.201 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 30 4.882 -10.316 -2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.106 -9.744 -5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.095 -11.174 -6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.973 -12.278 -2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.582 -12.598 -4.608 1.00 0.00 H new ATOM 393 N VAL A 31 -0.303 -10.870 -1.696 1.00 0.00 N ATOM 394 CA VAL A 31 -0.175 -11.847 -0.579 1.00 0.00 C ATOM 395 C VAL A 31 0.578 -13.088 -1.073 1.00 0.00 C ATOM 396 O VAL A 31 0.372 -13.556 -2.175 1.00 0.00 O ATOM 397 CB VAL A 31 -1.574 -12.243 -0.085 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.512 -13.580 0.664 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.097 -11.163 0.862 1.00 0.00 C ATOM 0 H VAL A 31 -0.966 -11.129 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 31 0.380 -11.396 0.244 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.239 -12.344 -0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.510 -13.850 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.137 -14.355 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.845 -13.487 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.090 -11.439 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.422 -11.067 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.152 -10.211 0.334 1.00 0.00 H new ATOM 409 N VAL A 32 1.446 -13.622 -0.259 1.00 0.00 N ATOM 410 CA VAL A 32 2.212 -14.831 -0.669 1.00 0.00 C ATOM 411 C VAL A 32 1.497 -16.079 -0.148 1.00 0.00 C ATOM 412 O VAL A 32 1.517 -17.124 -0.766 1.00 0.00 O ATOM 413 CB VAL A 32 3.617 -14.764 -0.071 1.00 0.00 C ATOM 414 CG1 VAL A 32 4.326 -16.104 -0.275 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.414 -13.656 -0.765 1.00 0.00 C ATOM 0 H VAL A 32 1.658 -13.272 0.675 1.00 0.00 H new ATOM 0 HA VAL A 32 2.280 -14.874 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 32 3.546 -14.550 0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.328 -16.054 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.760 -16.894 0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.396 -16.320 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.416 -13.607 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.483 -13.871 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.911 -12.700 -0.619 1.00 0.00 H new ATOM 425 N LYS A 33 0.868 -15.972 0.988 1.00 0.00 N ATOM 426 CA LYS A 33 0.149 -17.143 1.564 1.00 0.00 C ATOM 427 C LYS A 33 -0.279 -16.807 2.992 1.00 0.00 C ATOM 428 O LYS A 33 -1.288 -17.278 3.478 1.00 0.00 O ATOM 429 CB LYS A 33 1.080 -18.357 1.583 1.00 0.00 C ATOM 430 CG LYS A 33 2.430 -17.954 2.180 1.00 0.00 C ATOM 431 CD LYS A 33 3.278 -19.205 2.418 1.00 0.00 C ATOM 432 CE LYS A 33 2.902 -19.829 3.763 1.00 0.00 C ATOM 433 NZ LYS A 33 3.444 -21.214 3.837 1.00 0.00 N ATOM 0 H LYS A 33 0.820 -15.119 1.546 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.728 -17.373 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.636 -19.161 2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.217 -18.740 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.949 -17.273 1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.280 -17.420 3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.118 -19.924 1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.337 -18.947 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.301 -19.227 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.818 -19.845 3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.188 -21.638 4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.043 -21.785 3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.480 -21.187 3.745 1.00 0.00 H new ATOM 447 N GLY A 34 0.484 -15.992 3.667 1.00 0.00 N ATOM 448 CA GLY A 34 0.128 -15.617 5.065 1.00 0.00 C ATOM 449 C GLY A 34 0.888 -14.350 5.467 1.00 0.00 C ATOM 450 O GLY A 34 1.060 -14.066 6.636 1.00 0.00 O ATOM 0 H GLY A 34 1.341 -15.569 3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.946 -15.450 5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.375 -16.432 5.745 1.00 0.00 H new ATOM 454 N LYS A 35 1.341 -13.584 4.511 1.00 0.00 N ATOM 455 CA LYS A 35 2.085 -12.338 4.846 1.00 0.00 C ATOM 456 C LYS A 35 1.636 -11.212 3.912 1.00 0.00 C ATOM 457 O LYS A 35 2.288 -10.905 2.934 1.00 0.00 O ATOM 458 CB LYS A 35 3.587 -12.577 4.674 1.00 0.00 C ATOM 459 CG LYS A 35 4.193 -12.998 6.013 1.00 0.00 C ATOM 460 CD LYS A 35 5.703 -13.185 5.854 1.00 0.00 C ATOM 461 CE LYS A 35 6.435 -12.010 6.505 1.00 0.00 C ATOM 462 NZ LYS A 35 7.332 -12.519 7.581 1.00 0.00 N ATOM 0 H LYS A 35 1.228 -13.768 3.514 1.00 0.00 H new ATOM 0 HA LYS A 35 1.880 -12.058 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.760 -13.350 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.071 -11.670 4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.987 -12.242 6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.735 -13.926 6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.015 -14.122 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.963 -13.248 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.016 -11.470 5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.715 -11.304 6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.830 -11.721 8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.766 -13.016 8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.026 -13.176 7.172 1.00 0.00 H new ATOM 476 N VAL A 36 0.524 -10.595 4.206 1.00 0.00 N ATOM 477 CA VAL A 36 0.030 -9.492 3.335 1.00 0.00 C ATOM 478 C VAL A 36 1.094 -8.396 3.241 1.00 0.00 C ATOM 479 O VAL A 36 1.449 -7.776 4.224 1.00 0.00 O ATOM 480 CB VAL A 36 -1.252 -8.908 3.932 1.00 0.00 C ATOM 481 CG1 VAL A 36 -1.705 -7.710 3.096 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.348 -9.975 3.926 1.00 0.00 C ATOM 0 H VAL A 36 -0.064 -10.808 5.012 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.176 -9.882 2.338 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.062 -8.586 4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.618 -7.294 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.925 -6.949 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.895 -8.032 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.262 -9.560 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.537 -10.296 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.027 -10.830 4.521 1.00 0.00 H new ATOM 492 N GLU A 37 1.603 -8.151 2.065 1.00 0.00 N ATOM 493 CA GLU A 37 2.641 -7.095 1.908 1.00 0.00 C ATOM 494 C GLU A 37 2.039 -5.900 1.164 1.00 0.00 C ATOM 495 O GLU A 37 1.055 -6.026 0.462 1.00 0.00 O ATOM 496 CB GLU A 37 3.821 -7.651 1.108 1.00 0.00 C ATOM 497 CG GLU A 37 4.476 -8.791 1.891 1.00 0.00 C ATOM 498 CD GLU A 37 5.992 -8.741 1.692 1.00 0.00 C ATOM 499 OE1 GLU A 37 6.635 -7.960 2.374 1.00 0.00 O ATOM 500 OE2 GLU A 37 6.485 -9.486 0.859 1.00 0.00 O ATOM 0 H GLU A 37 1.345 -8.637 1.206 1.00 0.00 H new ATOM 0 HA GLU A 37 2.988 -6.777 2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.479 -8.011 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.548 -6.862 0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.234 -8.705 2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.085 -9.751 1.552 1.00 0.00 H new ATOM 507 N TYR A 38 2.620 -4.741 1.311 1.00 0.00 N ATOM 508 CA TYR A 38 2.077 -3.543 0.612 1.00 0.00 C ATOM 509 C TYR A 38 3.229 -2.729 0.021 1.00 0.00 C ATOM 510 O TYR A 38 4.067 -2.213 0.733 1.00 0.00 O ATOM 511 CB TYR A 38 1.300 -2.680 1.607 1.00 0.00 C ATOM 512 CG TYR A 38 -0.165 -3.045 1.552 1.00 0.00 C ATOM 513 CD1 TYR A 38 -0.658 -4.084 2.352 1.00 0.00 C ATOM 514 CD2 TYR A 38 -1.030 -2.343 0.703 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.017 -4.423 2.301 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.389 -2.682 0.652 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.882 -3.722 1.452 1.00 0.00 C ATOM 518 OH TYR A 38 -4.220 -4.055 1.402 1.00 0.00 O ATOM 0 H TYR A 38 3.446 -4.572 1.884 1.00 0.00 H new ATOM 0 HA TYR A 38 1.411 -3.862 -0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.686 -2.831 2.615 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.432 -1.624 1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.009 -4.624 3.008 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.650 -1.541 0.088 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.397 -5.225 2.917 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.056 -2.142 -0.004 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.679 -3.470 0.763 1.00 0.00 H new ATOM 528 N LEU A 39 3.279 -2.611 -1.278 1.00 0.00 N ATOM 529 CA LEU A 39 4.376 -1.829 -1.915 1.00 0.00 C ATOM 530 C LEU A 39 4.009 -0.344 -1.917 1.00 0.00 C ATOM 531 O LEU A 39 3.042 0.063 -2.526 1.00 0.00 O ATOM 532 CB LEU A 39 4.573 -2.308 -3.355 1.00 0.00 C ATOM 533 CG LEU A 39 5.967 -1.907 -3.841 1.00 0.00 C ATOM 534 CD1 LEU A 39 7.023 -2.490 -2.902 1.00 0.00 C ATOM 535 CD2 LEU A 39 6.187 -2.449 -5.255 1.00 0.00 C ATOM 0 H LEU A 39 2.607 -3.023 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 39 5.299 -1.974 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.455 -3.390 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.812 -1.872 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 39 6.051 -0.820 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.016 -2.204 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.866 -2.105 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.941 -3.577 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.180 -2.164 -5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.104 -3.536 -5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.434 -2.033 -5.925 1.00 0.00 H new ATOM 547 N LEU A 40 4.773 0.467 -1.238 1.00 0.00 N ATOM 548 CA LEU A 40 4.464 1.924 -1.202 1.00 0.00 C ATOM 549 C LEU A 40 5.636 2.713 -1.788 1.00 0.00 C ATOM 550 O LEU A 40 6.732 2.205 -1.926 1.00 0.00 O ATOM 551 CB LEU A 40 4.230 2.365 0.246 1.00 0.00 C ATOM 552 CG LEU A 40 3.629 1.208 1.046 1.00 0.00 C ATOM 553 CD1 LEU A 40 3.590 1.578 2.529 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.207 0.933 0.552 1.00 0.00 C ATOM 0 H LEU A 40 5.597 0.184 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 40 3.566 2.114 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.171 2.681 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.560 3.224 0.271 1.00 0.00 H new ATOM 0 HG LEU A 40 4.241 0.316 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.162 0.753 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.602 1.775 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.978 2.470 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.777 0.109 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.596 1.825 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.234 0.669 -0.505 1.00 0.00 H new ATOM 566 N LYS A 41 5.416 3.953 -2.131 1.00 0.00 N ATOM 567 CA LYS A 41 6.519 4.776 -2.704 1.00 0.00 C ATOM 568 C LYS A 41 7.197 5.563 -1.582 1.00 0.00 C ATOM 569 O LYS A 41 6.757 6.632 -1.207 1.00 0.00 O ATOM 570 CB LYS A 41 5.946 5.749 -3.738 1.00 0.00 C ATOM 571 CG LYS A 41 7.022 6.759 -4.140 1.00 0.00 C ATOM 572 CD LYS A 41 6.709 7.310 -5.532 1.00 0.00 C ATOM 573 CE LYS A 41 6.401 8.805 -5.433 1.00 0.00 C ATOM 574 NZ LYS A 41 5.066 9.079 -6.035 1.00 0.00 N ATOM 0 H LYS A 41 4.520 4.432 -2.039 1.00 0.00 H new ATOM 0 HA LYS A 41 7.249 4.125 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.600 5.202 -4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.081 6.268 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.061 7.572 -3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.002 6.282 -4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.556 7.146 -6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.858 6.781 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.413 9.121 -4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.169 9.380 -5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.603 9.852 -5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.184 9.354 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.478 8.223 -5.979 1.00 0.00 H new ATOM 588 N TRP A 42 8.263 5.044 -1.041 1.00 0.00 N ATOM 589 CA TRP A 42 8.966 5.760 0.061 1.00 0.00 C ATOM 590 C TRP A 42 9.941 6.779 -0.531 1.00 0.00 C ATOM 591 O TRP A 42 10.738 6.463 -1.392 1.00 0.00 O ATOM 592 CB TRP A 42 9.736 4.751 0.914 1.00 0.00 C ATOM 593 CG TRP A 42 8.774 3.789 1.534 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.400 2.606 0.992 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.060 3.905 2.797 1.00 0.00 C ATOM 596 NE1 TRP A 42 7.502 1.989 1.843 1.00 0.00 N ATOM 597 CE2 TRP A 42 7.260 2.750 2.970 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.029 4.890 3.802 1.00 0.00 C ATOM 599 CZ2 TRP A 42 6.456 2.580 4.100 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.222 4.723 4.941 1.00 0.00 C ATOM 601 CH2 TRP A 42 6.437 3.569 5.088 1.00 0.00 C ATOM 0 H TRP A 42 8.679 4.154 -1.314 1.00 0.00 H new ATOM 0 HA TRP A 42 8.235 6.278 0.682 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.458 4.214 0.299 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.300 5.269 1.690 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.746 2.209 0.049 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.071 1.083 1.661 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.630 5.781 3.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 5.853 1.691 4.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.206 5.486 5.706 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.818 3.445 5.964 1.00 0.00 H new ATOM 612 N LYS A 43 9.884 8.001 -0.076 1.00 0.00 N ATOM 613 CA LYS A 43 10.807 9.040 -0.611 1.00 0.00 C ATOM 614 C LYS A 43 12.043 9.137 0.288 1.00 0.00 C ATOM 615 O LYS A 43 12.780 10.100 0.244 1.00 0.00 O ATOM 616 CB LYS A 43 10.091 10.393 -0.638 1.00 0.00 C ATOM 617 CG LYS A 43 9.798 10.844 0.794 1.00 0.00 C ATOM 618 CD LYS A 43 8.669 11.876 0.785 1.00 0.00 C ATOM 619 CE LYS A 43 9.093 13.103 1.593 1.00 0.00 C ATOM 620 NZ LYS A 43 8.018 14.134 1.530 1.00 0.00 N ATOM 0 H LYS A 43 9.237 8.324 0.644 1.00 0.00 H new ATOM 0 HA LYS A 43 11.112 8.769 -1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.710 11.134 -1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.162 10.314 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.516 9.987 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.694 11.274 1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.435 12.165 -0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.763 11.443 1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.282 12.822 2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.024 13.508 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.305 14.969 2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.858 14.409 0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.139 13.744 1.927 1.00 0.00 H new ATOM 634 N GLY A 44 12.274 8.144 1.102 1.00 0.00 N ATOM 635 CA GLY A 44 13.461 8.178 2.003 1.00 0.00 C ATOM 636 C GLY A 44 14.694 7.689 1.243 1.00 0.00 C ATOM 637 O GLY A 44 15.781 8.211 1.400 1.00 0.00 O ATOM 0 H GLY A 44 11.692 7.310 1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.624 9.192 2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.286 7.549 2.876 1.00 0.00 H new ATOM 641 N PHE A 45 14.536 6.690 0.419 1.00 0.00 N ATOM 642 CA PHE A 45 15.700 6.167 -0.351 1.00 0.00 C ATOM 643 C PHE A 45 15.757 6.857 -1.715 1.00 0.00 C ATOM 644 O PHE A 45 16.739 7.479 -2.067 1.00 0.00 O ATOM 645 CB PHE A 45 15.544 4.657 -0.548 1.00 0.00 C ATOM 646 CG PHE A 45 15.977 3.938 0.707 1.00 0.00 C ATOM 647 CD1 PHE A 45 15.094 3.824 1.789 1.00 0.00 C ATOM 648 CD2 PHE A 45 17.261 3.386 0.790 1.00 0.00 C ATOM 649 CE1 PHE A 45 15.495 3.157 2.954 1.00 0.00 C ATOM 650 CE2 PHE A 45 17.664 2.718 1.955 1.00 0.00 C ATOM 651 CZ PHE A 45 16.780 2.604 3.037 1.00 0.00 C ATOM 0 H PHE A 45 13.651 6.213 0.245 1.00 0.00 H new ATOM 0 HA PHE A 45 16.620 6.368 0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 45 14.507 4.415 -0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 45 16.145 4.326 -1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 45 14.104 4.250 1.725 1.00 0.00 H new ATOM 0 HD2 PHE A 45 17.941 3.475 -0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 45 14.814 3.069 3.788 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.654 2.292 2.019 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.089 2.090 3.935 1.00 0.00 H new ATOM 661 N SER A 46 14.709 6.752 -2.486 1.00 0.00 N ATOM 662 CA SER A 46 14.702 7.402 -3.826 1.00 0.00 C ATOM 663 C SER A 46 13.286 7.878 -4.152 1.00 0.00 C ATOM 664 O SER A 46 12.415 7.890 -3.304 1.00 0.00 O ATOM 665 CB SER A 46 15.157 6.395 -4.882 1.00 0.00 C ATOM 666 OG SER A 46 14.352 5.227 -4.794 1.00 0.00 O ATOM 0 H SER A 46 13.858 6.244 -2.245 1.00 0.00 H new ATOM 0 HA SER A 46 15.381 8.255 -3.821 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.076 6.832 -5.877 1.00 0.00 H new ATOM 0 HB3 SER A 46 16.206 6.140 -4.730 1.00 0.00 H new ATOM 0 HG SER A 46 14.640 4.580 -5.471 1.00 0.00 H new ATOM 672 N ASP A 47 13.046 8.269 -5.373 1.00 0.00 N ATOM 673 CA ASP A 47 11.685 8.742 -5.748 1.00 0.00 C ATOM 674 C ASP A 47 10.809 7.540 -6.106 1.00 0.00 C ATOM 675 O ASP A 47 9.719 7.684 -6.621 1.00 0.00 O ATOM 676 CB ASP A 47 11.784 9.679 -6.954 1.00 0.00 C ATOM 677 CG ASP A 47 12.136 11.089 -6.477 1.00 0.00 C ATOM 678 OD1 ASP A 47 11.220 11.837 -6.175 1.00 0.00 O ATOM 679 OD2 ASP A 47 13.314 11.398 -6.422 1.00 0.00 O ATOM 0 H ASP A 47 13.733 8.281 -6.127 1.00 0.00 H new ATOM 0 HA ASP A 47 11.242 9.278 -4.908 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.544 9.318 -7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.838 9.692 -7.496 1.00 0.00 H new ATOM 684 N GLU A 48 11.279 6.353 -5.834 1.00 0.00 N ATOM 685 CA GLU A 48 10.475 5.142 -6.157 1.00 0.00 C ATOM 686 C GLU A 48 11.237 3.895 -5.707 1.00 0.00 C ATOM 687 O GLU A 48 11.742 3.140 -6.513 1.00 0.00 O ATOM 688 CB GLU A 48 10.231 5.075 -7.665 1.00 0.00 C ATOM 689 CG GLU A 48 11.569 5.141 -8.403 1.00 0.00 C ATOM 690 CD GLU A 48 11.523 6.257 -9.447 1.00 0.00 C ATOM 691 OE1 GLU A 48 11.589 7.410 -9.055 1.00 0.00 O ATOM 692 OE2 GLU A 48 11.423 5.940 -10.621 1.00 0.00 O ATOM 0 H GLU A 48 12.185 6.170 -5.402 1.00 0.00 H new ATOM 0 HA GLU A 48 9.517 5.192 -5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.709 4.152 -7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.591 5.900 -7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.378 5.324 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.778 4.186 -8.885 1.00 0.00 H new ATOM 699 N ASP A 49 11.326 3.677 -4.424 1.00 0.00 N ATOM 700 CA ASP A 49 12.057 2.483 -3.920 1.00 0.00 C ATOM 701 C ASP A 49 11.072 1.326 -3.738 1.00 0.00 C ATOM 702 O ASP A 49 11.458 0.177 -3.647 1.00 0.00 O ATOM 703 CB ASP A 49 12.713 2.818 -2.579 1.00 0.00 C ATOM 704 CG ASP A 49 11.643 2.894 -1.488 1.00 0.00 C ATOM 705 OD1 ASP A 49 10.550 3.345 -1.788 1.00 0.00 O ATOM 706 OD2 ASP A 49 11.935 2.499 -0.371 1.00 0.00 O ATOM 0 H ASP A 49 10.923 4.275 -3.703 1.00 0.00 H new ATOM 0 HA ASP A 49 12.827 2.194 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.452 2.059 -2.325 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.243 3.768 -2.649 1.00 0.00 H new ATOM 711 N ASN A 50 9.802 1.621 -3.686 1.00 0.00 N ATOM 712 CA ASN A 50 8.792 0.541 -3.512 1.00 0.00 C ATOM 713 C ASN A 50 9.246 -0.412 -2.406 1.00 0.00 C ATOM 714 O ASN A 50 9.981 -1.350 -2.643 1.00 0.00 O ATOM 715 CB ASN A 50 8.646 -0.234 -4.825 1.00 0.00 C ATOM 716 CG ASN A 50 8.048 0.681 -5.895 1.00 0.00 C ATOM 717 OD1 ASN A 50 7.136 1.438 -5.623 1.00 0.00 O ATOM 718 ND2 ASN A 50 8.525 0.646 -7.108 1.00 0.00 N ATOM 0 H ASN A 50 9.421 2.564 -3.757 1.00 0.00 H new ATOM 0 HA ASN A 50 7.833 0.981 -3.239 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.618 -0.605 -5.151 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.006 -1.104 -4.677 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.133 1.253 -7.828 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.290 0.011 -7.337 1.00 0.00 H new ATOM 725 N THR A 51 8.811 -0.182 -1.196 1.00 0.00 N ATOM 726 CA THR A 51 9.216 -1.075 -0.075 1.00 0.00 C ATOM 727 C THR A 51 8.005 -1.888 0.389 1.00 0.00 C ATOM 728 O THR A 51 6.965 -1.346 0.700 1.00 0.00 O ATOM 729 CB THR A 51 9.739 -0.230 1.088 1.00 0.00 C ATOM 730 OG1 THR A 51 10.749 0.651 0.614 1.00 0.00 O ATOM 731 CG2 THR A 51 10.322 -1.146 2.166 1.00 0.00 C ATOM 0 H THR A 51 8.192 0.586 -0.937 1.00 0.00 H new ATOM 0 HA THR A 51 10.001 -1.751 -0.413 1.00 0.00 H new ATOM 0 HB THR A 51 8.920 0.350 1.513 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.395 1.564 0.576 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.694 -0.543 2.994 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.546 -1.821 2.529 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.141 -1.728 1.744 1.00 0.00 H new ATOM 739 N TRP A 52 8.133 -3.185 0.438 1.00 0.00 N ATOM 740 CA TRP A 52 6.990 -4.029 0.881 1.00 0.00 C ATOM 741 C TRP A 52 6.929 -4.044 2.410 1.00 0.00 C ATOM 742 O TRP A 52 7.920 -4.264 3.079 1.00 0.00 O ATOM 743 CB TRP A 52 7.178 -5.457 0.364 1.00 0.00 C ATOM 744 CG TRP A 52 7.001 -5.475 -1.121 1.00 0.00 C ATOM 745 CD1 TRP A 52 8.006 -5.421 -2.025 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.766 -5.551 -1.890 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.465 -5.459 -3.295 1.00 0.00 N ATOM 748 CE2 TRP A 52 6.095 -5.539 -3.264 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.404 -5.627 -1.535 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.121 -5.600 -4.252 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.413 -5.690 -2.531 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.773 -5.677 -3.888 1.00 0.00 C ATOM 0 H TRP A 52 8.980 -3.696 0.190 1.00 0.00 H new ATOM 0 HA TRP A 52 6.061 -3.619 0.484 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.170 -5.823 0.627 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.456 -6.124 0.835 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.059 -5.358 -1.792 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.017 -5.431 -4.152 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.120 -5.637 -0.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.403 -5.588 -5.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.372 -5.749 -2.251 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.009 -5.726 -4.650 1.00 0.00 H new ATOM 763 N GLU A 53 5.773 -3.811 2.969 1.00 0.00 N ATOM 764 CA GLU A 53 5.650 -3.810 4.453 1.00 0.00 C ATOM 765 C GLU A 53 4.441 -4.656 4.866 1.00 0.00 C ATOM 766 O GLU A 53 3.506 -4.810 4.104 1.00 0.00 O ATOM 767 CB GLU A 53 5.461 -2.375 4.949 1.00 0.00 C ATOM 768 CG GLU A 53 6.784 -1.850 5.511 1.00 0.00 C ATOM 769 CD GLU A 53 7.129 -0.516 4.847 1.00 0.00 C ATOM 770 OE1 GLU A 53 6.752 -0.333 3.701 1.00 0.00 O ATOM 771 OE2 GLU A 53 7.764 0.299 5.495 1.00 0.00 O ATOM 0 H GLU A 53 4.909 -3.621 2.462 1.00 0.00 H new ATOM 0 HA GLU A 53 6.555 -4.230 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.123 -1.738 4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.689 -2.344 5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.707 -1.721 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.579 -2.573 5.332 1.00 0.00 H new ATOM 778 N PRO A 54 4.500 -5.181 6.063 1.00 0.00 N ATOM 779 CA PRO A 54 3.425 -6.021 6.615 1.00 0.00 C ATOM 780 C PRO A 54 2.262 -5.151 7.101 1.00 0.00 C ATOM 781 O PRO A 54 2.441 -4.246 7.891 1.00 0.00 O ATOM 782 CB PRO A 54 4.097 -6.739 7.788 1.00 0.00 C ATOM 783 CG PRO A 54 5.313 -5.869 8.193 1.00 0.00 C ATOM 784 CD PRO A 54 5.645 -4.984 6.976 1.00 0.00 C ATOM 0 HA PRO A 54 3.002 -6.711 5.885 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.405 -6.852 8.622 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.415 -7.741 7.500 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.079 -5.258 9.065 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.165 -6.494 8.461 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.751 -3.937 7.262 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.583 -5.284 6.509 1.00 0.00 H new ATOM 792 N GLU A 55 1.073 -5.420 6.637 1.00 0.00 N ATOM 793 CA GLU A 55 -0.099 -4.610 7.074 1.00 0.00 C ATOM 794 C GLU A 55 -0.423 -4.929 8.535 1.00 0.00 C ATOM 795 O GLU A 55 -1.262 -4.297 9.147 1.00 0.00 O ATOM 796 CB GLU A 55 -1.306 -4.946 6.198 1.00 0.00 C ATOM 797 CG GLU A 55 -1.708 -6.406 6.421 1.00 0.00 C ATOM 798 CD GLU A 55 -3.086 -6.461 7.082 1.00 0.00 C ATOM 799 OE1 GLU A 55 -3.302 -5.710 8.019 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.902 -7.251 6.638 1.00 0.00 O ATOM 0 H GLU A 55 0.862 -6.166 5.974 1.00 0.00 H new ATOM 0 HA GLU A 55 0.135 -3.550 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.140 -4.287 6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.064 -4.781 5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.728 -6.938 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.971 -6.905 7.050 1.00 0.00 H new ATOM 807 N GLU A 56 0.233 -5.905 9.101 1.00 0.00 N ATOM 808 CA GLU A 56 -0.039 -6.263 10.522 1.00 0.00 C ATOM 809 C GLU A 56 0.593 -5.217 11.443 1.00 0.00 C ATOM 810 O GLU A 56 0.444 -5.267 12.647 1.00 0.00 O ATOM 811 CB GLU A 56 0.563 -7.636 10.824 1.00 0.00 C ATOM 812 CG GLU A 56 -0.541 -8.696 10.794 1.00 0.00 C ATOM 813 CD GLU A 56 0.041 -10.049 11.207 1.00 0.00 C ATOM 814 OE1 GLU A 56 0.836 -10.585 10.454 1.00 0.00 O ATOM 815 OE2 GLU A 56 -0.320 -10.526 12.271 1.00 0.00 O ATOM 0 H GLU A 56 0.946 -6.470 8.640 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.116 -6.291 10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.333 -7.877 10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.046 -7.626 11.801 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.349 -8.414 11.469 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.969 -8.762 9.794 1.00 0.00 H new ATOM 822 N ASN A 57 1.299 -4.269 10.887 1.00 0.00 N ATOM 823 CA ASN A 57 1.940 -3.224 11.732 1.00 0.00 C ATOM 824 C ASN A 57 1.726 -1.849 11.097 1.00 0.00 C ATOM 825 O ASN A 57 1.518 -0.865 11.777 1.00 0.00 O ATOM 826 CB ASN A 57 3.439 -3.508 11.842 1.00 0.00 C ATOM 827 CG ASN A 57 3.681 -4.568 12.918 1.00 0.00 C ATOM 828 OD1 ASN A 57 2.896 -5.482 13.074 1.00 0.00 O ATOM 829 ND2 ASN A 57 4.743 -4.485 13.672 1.00 0.00 N ATOM 0 H ASN A 57 1.459 -4.174 9.884 1.00 0.00 H new ATOM 0 HA ASN A 57 1.493 -3.236 12.726 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.826 -3.853 10.883 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.976 -2.593 12.091 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.914 -5.187 14.392 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.402 -3.718 13.541 1.00 0.00 H new ATOM 836 N LEU A 58 1.777 -1.773 9.794 1.00 0.00 N ATOM 837 CA LEU A 58 1.578 -0.462 9.114 1.00 0.00 C ATOM 838 C LEU A 58 0.404 0.276 9.760 1.00 0.00 C ATOM 839 O LEU A 58 -0.683 -0.253 9.884 1.00 0.00 O ATOM 840 CB LEU A 58 1.278 -0.699 7.632 1.00 0.00 C ATOM 841 CG LEU A 58 2.513 -0.350 6.799 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.428 -1.051 5.442 1.00 0.00 C ATOM 843 CD2 LEU A 58 2.573 1.164 6.589 1.00 0.00 C ATOM 0 H LEU A 58 1.948 -2.563 9.172 1.00 0.00 H new ATOM 0 HA LEU A 58 2.482 0.139 9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.998 -1.740 7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.431 -0.088 7.319 1.00 0.00 H new ATOM 0 HG LEU A 58 3.410 -0.681 7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.308 -0.802 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.384 -2.130 5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.531 -0.721 4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.452 1.414 5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.676 1.495 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.634 1.663 7.556 1.00 0.00 H new ATOM 855 N ASP A 59 0.614 1.496 10.173 1.00 0.00 N ATOM 856 CA ASP A 59 -0.490 2.268 10.811 1.00 0.00 C ATOM 857 C ASP A 59 -1.056 3.277 9.808 1.00 0.00 C ATOM 858 O ASP A 59 -1.318 4.415 10.139 1.00 0.00 O ATOM 859 CB ASP A 59 0.049 3.013 12.034 1.00 0.00 C ATOM 860 CG ASP A 59 -0.986 2.965 13.159 1.00 0.00 C ATOM 861 OD1 ASP A 59 -2.107 3.383 12.924 1.00 0.00 O ATOM 862 OD2 ASP A 59 -0.640 2.509 14.237 1.00 0.00 O ATOM 0 H ASP A 59 1.502 1.992 10.096 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.279 1.583 11.121 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.983 2.560 12.366 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.271 4.048 11.774 1.00 0.00 H new ATOM 867 N CYS A 60 -1.245 2.868 8.582 1.00 0.00 N ATOM 868 CA CYS A 60 -1.792 3.805 7.560 1.00 0.00 C ATOM 869 C CYS A 60 -3.078 3.218 6.967 1.00 0.00 C ATOM 870 O CYS A 60 -3.070 2.697 5.869 1.00 0.00 O ATOM 871 CB CYS A 60 -0.762 4.006 6.448 1.00 0.00 C ATOM 872 SG CYS A 60 0.880 4.225 7.179 1.00 0.00 S ATOM 0 H CYS A 60 -1.044 1.926 8.245 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.012 4.765 8.027 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.762 3.146 5.778 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.024 4.878 5.848 1.00 0.00 H new ATOM 0 HG CYS A 60 1.757 4.394 6.234 1.00 0.00 H new ATOM 878 N PRO A 61 -4.145 3.321 7.718 1.00 0.00 N ATOM 879 CA PRO A 61 -5.461 2.809 7.301 1.00 0.00 C ATOM 880 C PRO A 61 -6.117 3.768 6.303 1.00 0.00 C ATOM 881 O PRO A 61 -7.242 3.570 5.887 1.00 0.00 O ATOM 882 CB PRO A 61 -6.255 2.754 8.609 1.00 0.00 C ATOM 883 CG PRO A 61 -5.569 3.749 9.577 1.00 0.00 C ATOM 884 CD PRO A 61 -4.137 3.958 9.050 1.00 0.00 C ATOM 0 HA PRO A 61 -5.406 1.842 6.800 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.297 3.029 8.443 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.253 1.746 9.023 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.111 4.694 9.610 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.554 3.354 10.593 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.888 5.017 8.984 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.399 3.497 9.707 1.00 0.00 H new ATOM 892 N ASP A 62 -5.422 4.800 5.912 1.00 0.00 N ATOM 893 CA ASP A 62 -6.008 5.764 4.940 1.00 0.00 C ATOM 894 C ASP A 62 -5.704 5.285 3.522 1.00 0.00 C ATOM 895 O ASP A 62 -6.579 5.203 2.681 1.00 0.00 O ATOM 896 CB ASP A 62 -5.391 7.148 5.156 1.00 0.00 C ATOM 897 CG ASP A 62 -6.377 8.223 4.696 1.00 0.00 C ATOM 898 OD1 ASP A 62 -7.570 7.997 4.819 1.00 0.00 O ATOM 899 OD2 ASP A 62 -5.923 9.253 4.225 1.00 0.00 O ATOM 0 H ASP A 62 -4.475 5.017 6.223 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.086 5.826 5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.148 7.289 6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.458 7.233 4.599 1.00 0.00 H new ATOM 904 N LEU A 63 -4.470 4.959 3.250 1.00 0.00 N ATOM 905 CA LEU A 63 -4.118 4.478 1.892 1.00 0.00 C ATOM 906 C LEU A 63 -4.499 3.005 1.773 1.00 0.00 C ATOM 907 O LEU A 63 -4.716 2.493 0.694 1.00 0.00 O ATOM 908 CB LEU A 63 -2.617 4.640 1.661 1.00 0.00 C ATOM 909 CG LEU A 63 -2.174 6.025 2.133 1.00 0.00 C ATOM 910 CD1 LEU A 63 -1.184 5.879 3.289 1.00 0.00 C ATOM 911 CD2 LEU A 63 -1.498 6.765 0.975 1.00 0.00 C ATOM 0 H LEU A 63 -3.694 5.006 3.911 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.658 5.060 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.070 3.868 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.385 4.513 0.603 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.044 6.589 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.869 6.867 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.663 5.351 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.314 5.315 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.181 7.753 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.628 6.200 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.202 6.870 0.150 1.00 0.00 H new ATOM 923 N ILE A 64 -4.594 2.321 2.880 1.00 0.00 N ATOM 924 CA ILE A 64 -4.973 0.885 2.835 1.00 0.00 C ATOM 925 C ILE A 64 -6.453 0.781 2.470 1.00 0.00 C ATOM 926 O ILE A 64 -6.837 0.028 1.597 1.00 0.00 O ATOM 927 CB ILE A 64 -4.736 0.248 4.206 1.00 0.00 C ATOM 928 CG1 ILE A 64 -3.231 0.148 4.466 1.00 0.00 C ATOM 929 CG2 ILE A 64 -5.351 -1.151 4.235 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.989 -0.241 5.925 1.00 0.00 C ATOM 0 H ILE A 64 -4.425 2.697 3.813 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.369 0.364 2.092 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.200 0.863 4.977 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.785 -0.593 3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.750 1.101 4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.181 -1.603 5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.423 -1.081 4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.888 -1.768 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.917 -0.312 6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.421 0.516 6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.457 -1.205 6.127 1.00 0.00 H new ATOM 942 N ALA A 65 -7.286 1.546 3.124 1.00 0.00 N ATOM 943 CA ALA A 65 -8.740 1.508 2.810 1.00 0.00 C ATOM 944 C ALA A 65 -9.012 2.379 1.582 1.00 0.00 C ATOM 945 O ALA A 65 -10.116 2.430 1.076 1.00 0.00 O ATOM 946 CB ALA A 65 -9.534 2.044 4.001 1.00 0.00 C ATOM 0 H ALA A 65 -7.020 2.196 3.863 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.044 0.481 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.599 2.016 3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.336 1.427 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.234 3.072 4.205 1.00 0.00 H new ATOM 952 N GLU A 66 -8.011 3.063 1.095 1.00 0.00 N ATOM 953 CA GLU A 66 -8.211 3.926 -0.101 1.00 0.00 C ATOM 954 C GLU A 66 -7.801 3.148 -1.350 1.00 0.00 C ATOM 955 O GLU A 66 -8.309 3.371 -2.431 1.00 0.00 O ATOM 956 CB GLU A 66 -7.348 5.183 0.024 1.00 0.00 C ATOM 957 CG GLU A 66 -7.373 5.955 -1.298 1.00 0.00 C ATOM 958 CD GLU A 66 -7.187 7.448 -1.021 1.00 0.00 C ATOM 959 OE1 GLU A 66 -7.817 7.944 -0.103 1.00 0.00 O ATOM 960 OE2 GLU A 66 -6.416 8.070 -1.735 1.00 0.00 O ATOM 0 H GLU A 66 -7.064 3.060 1.475 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.259 4.216 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.720 5.813 0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.324 4.910 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.582 5.595 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.319 5.785 -1.813 1.00 0.00 H new ATOM 967 N PHE A 67 -6.885 2.231 -1.206 1.00 0.00 N ATOM 968 CA PHE A 67 -6.438 1.429 -2.376 1.00 0.00 C ATOM 969 C PHE A 67 -7.123 0.059 -2.334 1.00 0.00 C ATOM 970 O PHE A 67 -7.217 -0.629 -3.330 1.00 0.00 O ATOM 971 CB PHE A 67 -4.916 1.250 -2.317 1.00 0.00 C ATOM 972 CG PHE A 67 -4.495 0.127 -3.234 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.865 0.148 -4.586 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.736 -0.938 -2.732 1.00 0.00 C ATOM 975 CE1 PHE A 67 -4.475 -0.895 -5.435 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.346 -1.982 -3.581 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.716 -1.961 -4.933 1.00 0.00 C ATOM 0 H PHE A 67 -6.426 2.003 -0.324 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.704 1.941 -3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.421 2.176 -2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.606 1.032 -1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.451 0.969 -4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.451 -0.954 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.759 -0.878 -6.477 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.760 -2.803 -3.194 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.416 -2.766 -5.588 1.00 0.00 H new ATOM 987 N LEU A 68 -7.599 -0.339 -1.186 1.00 0.00 N ATOM 988 CA LEU A 68 -8.274 -1.662 -1.081 1.00 0.00 C ATOM 989 C LEU A 68 -9.778 -1.488 -1.313 1.00 0.00 C ATOM 990 O LEU A 68 -10.489 -2.435 -1.586 1.00 0.00 O ATOM 991 CB LEU A 68 -8.011 -2.260 0.311 1.00 0.00 C ATOM 992 CG LEU A 68 -9.007 -1.705 1.336 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.328 -2.470 1.238 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.431 -1.874 2.744 1.00 0.00 C ATOM 0 H LEU A 68 -7.549 0.194 -0.318 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.878 -2.340 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.094 -3.346 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.993 -2.030 0.625 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.183 -0.649 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.033 -2.073 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.741 -2.357 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.153 -3.527 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.137 -1.480 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.256 -2.932 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.489 -1.330 2.819 1.00 0.00 H new ATOM 1006 N GLN A 69 -10.268 -0.282 -1.208 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.723 -0.047 -1.422 1.00 0.00 C ATOM 1008 C GLN A 69 -12.018 -0.012 -2.923 1.00 0.00 C ATOM 1009 O GLN A 69 -13.026 -0.516 -3.379 1.00 0.00 O ATOM 1010 CB GLN A 69 -12.121 1.290 -0.792 1.00 0.00 C ATOM 1011 CG GLN A 69 -13.610 1.546 -1.031 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.903 3.038 -0.871 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -14.807 3.562 -1.492 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -13.170 3.751 -0.059 1.00 0.00 N ATOM 0 H GLN A 69 -9.723 0.550 -0.983 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.294 -0.851 -0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.911 1.277 0.277 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.529 2.097 -1.223 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.891 1.215 -2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.207 0.969 -0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.411 3.311 0.462 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.356 4.747 0.054 1.00 0.00 H new ATOM 1023 N SER A 70 -11.146 0.577 -3.695 1.00 0.00 N ATOM 1024 CA SER A 70 -11.377 0.643 -5.166 1.00 0.00 C ATOM 1025 C SER A 70 -11.406 -0.775 -5.742 1.00 0.00 C ATOM 1026 O SER A 70 -12.158 -1.072 -6.648 1.00 0.00 O ATOM 1027 CB SER A 70 -10.249 1.438 -5.824 1.00 0.00 C ATOM 1028 OG SER A 70 -9.068 1.309 -5.043 1.00 0.00 O ATOM 0 H SER A 70 -10.284 1.015 -3.371 1.00 0.00 H new ATOM 0 HA SER A 70 -12.330 1.134 -5.363 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.072 1.072 -6.835 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.530 2.488 -5.909 1.00 0.00 H new ATOM 0 HG SER A 70 -8.342 1.816 -5.462 1.00 0.00 H new ATOM 1034 N GLN A 71 -10.591 -1.652 -5.224 1.00 0.00 N ATOM 1035 CA GLN A 71 -10.572 -3.049 -5.741 1.00 0.00 C ATOM 1036 C GLN A 71 -11.965 -3.665 -5.596 1.00 0.00 C ATOM 1037 O GLN A 71 -12.354 -4.531 -6.353 1.00 0.00 O ATOM 1038 CB GLN A 71 -9.561 -3.876 -4.944 1.00 0.00 C ATOM 1039 CG GLN A 71 -8.161 -3.670 -5.526 1.00 0.00 C ATOM 1040 CD GLN A 71 -7.822 -4.831 -6.464 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -6.749 -5.396 -6.387 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -8.698 -5.213 -7.353 1.00 0.00 N ATOM 0 H GLN A 71 -9.937 -1.461 -4.465 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.285 -3.043 -6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.578 -3.579 -3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.830 -4.932 -4.980 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.116 -2.726 -6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.427 -3.611 -4.723 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.599 -4.739 -7.418 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.482 -5.986 -7.983 1.00 0.00 H new