USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 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 80 CYS SG : rot -68:sc= 0.717 USER MOD Set 1.2: A 82 THR OG1 : rot 140:sc= 0.693 USER MOD Set 2.1: A 65 TYR OH : rot 30:sc= -1.97! USER MOD Set 2.2: A 102 GLN : amide:sc= -0.0784 K(o=-6.4,f=-8.2!) USER MOD Set 2.3: A 147 ASN : amide:sc= -4.36! C(o=-6.4!,f=-7!) USER MOD Single : A 19 THR OG1 : rot -37:sc= 0.264 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -1.18 (180deg=-1.93!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00248 USER MOD Single : A 38 MET CE :methyl 152:sc= -0.13 (180deg=-0.76) USER MOD Single : A 41 THR OG1 : rot -14:sc= 0.996 USER MOD Single : A 42 GLN : amide:sc= -0.522 K(o=-0.52,f=-3.7!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 59 TYR OH : rot 160:sc= 0.665 USER MOD Single : A 61 CYS SG : rot 180:sc= -2.2 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.7!) USER MOD Single : A 73 SER OG : rot -103:sc= -0.504 USER MOD Single : A 76 SER OG : rot -165:sc= 0.402 USER MOD Single : A 81 GLN : amide:sc= -4.7! C(o=-4.7!,f=-5.2!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 90 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0669) USER MOD Single : A 91 CYS SG : rot 93:sc= 0.702 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.94! C(o=-1.9!,f=-2.3!) USER MOD Single : A 105 MET CE :methyl -141:sc= -0.0288 (180deg=-0.613) USER MOD Single : A 106 GLN : amide:sc= -1.21 K(o=-1.2,f=-1.8) USER MOD Single : A 140 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.00029) USER MOD Single : A 143 CYS SG : rot 160:sc= -0.549 USER MOD Single : A 145 ASN : amide:sc= -0.762 K(o=-0.76,f=-0.1) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 19 11.429 -6.539 -2.974 1.00 0.00 N ATOM 235 CA THR A 19 10.353 -6.446 -3.953 1.00 0.00 C ATOM 236 C THR A 19 9.038 -6.956 -3.375 1.00 0.00 C ATOM 237 O THR A 19 8.117 -6.179 -3.121 1.00 0.00 O ATOM 238 CB THR A 19 10.684 -7.245 -5.228 1.00 0.00 C ATOM 239 OG1 THR A 19 11.053 -8.585 -4.884 1.00 0.00 O ATOM 240 CG2 THR A 19 11.815 -6.584 -6.002 1.00 0.00 C ATOM 0 HA THR A 19 10.249 -5.392 -4.210 1.00 0.00 H new ATOM 0 HB THR A 19 9.796 -7.264 -5.860 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.567 -8.579 -4.049 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.031 -7.166 -6.898 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.519 -5.574 -6.287 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.706 -6.538 -5.376 1.00 0.00 H new ATOM 248 N LYS A 20 8.956 -8.265 -3.168 1.00 0.00 N ATOM 249 CA LYS A 20 7.754 -8.880 -2.617 1.00 0.00 C ATOM 250 C LYS A 20 7.460 -8.344 -1.219 1.00 0.00 C ATOM 251 O LYS A 20 8.369 -7.935 -0.497 1.00 0.00 O ATOM 252 CB LYS A 20 7.910 -10.401 -2.568 1.00 0.00 C ATOM 253 CG LYS A 20 7.434 -11.102 -3.829 1.00 0.00 C ATOM 254 CD LYS A 20 8.480 -11.040 -4.930 1.00 0.00 C ATOM 255 CE LYS A 20 8.159 -12.008 -6.059 1.00 0.00 C ATOM 256 NZ LYS A 20 7.300 -11.379 -7.101 1.00 0.00 N ATOM 0 H LYS A 20 9.709 -8.922 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 20 6.917 -8.628 -3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.959 -10.645 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.353 -10.788 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.204 -12.143 -3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.510 -10.640 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.535 -10.025 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.460 -11.275 -4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.086 -12.356 -6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.655 -12.885 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.104 -12.070 -7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.404 -11.070 -6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.792 -10.557 -7.506 1.00 0.00 H new ATOM 270 N PHE A 21 6.185 -8.349 -0.844 1.00 0.00 N ATOM 271 CA PHE A 21 5.772 -7.864 0.467 1.00 0.00 C ATOM 272 C PHE A 21 4.528 -8.602 0.953 1.00 0.00 C ATOM 273 O PHE A 21 3.476 -8.556 0.314 1.00 0.00 O ATOM 274 CB PHE A 21 5.499 -6.359 0.415 1.00 0.00 C ATOM 275 CG PHE A 21 6.742 -5.529 0.268 1.00 0.00 C ATOM 276 CD1 PHE A 21 7.524 -5.228 1.371 1.00 0.00 C ATOM 277 CD2 PHE A 21 7.128 -5.050 -0.974 1.00 0.00 C ATOM 278 CE1 PHE A 21 8.669 -4.464 1.239 1.00 0.00 C ATOM 279 CE2 PHE A 21 8.272 -4.287 -1.112 1.00 0.00 C ATOM 280 CZ PHE A 21 9.043 -3.993 -0.005 1.00 0.00 C ATOM 0 H PHE A 21 5.420 -8.684 -1.430 1.00 0.00 H new ATOM 0 HA PHE A 21 6.583 -8.055 1.169 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.830 -6.148 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.978 -6.061 1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.236 -5.594 2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.528 -5.275 -1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.270 -4.236 2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.563 -3.921 -2.086 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.937 -3.396 -0.111 1.00 0.00 H new ATOM 290 N LYS A 22 4.655 -9.282 2.087 1.00 0.00 N ATOM 291 CA LYS A 22 3.543 -10.029 2.661 1.00 0.00 C ATOM 292 C LYS A 22 2.471 -9.085 3.197 1.00 0.00 C ATOM 293 O LYS A 22 2.713 -8.324 4.134 1.00 0.00 O ATOM 294 CB LYS A 22 4.040 -10.943 3.784 1.00 0.00 C ATOM 295 CG LYS A 22 4.464 -12.320 3.304 1.00 0.00 C ATOM 296 CD LYS A 22 5.677 -12.244 2.391 1.00 0.00 C ATOM 297 CE LYS A 22 6.974 -12.339 3.179 1.00 0.00 C ATOM 298 NZ LYS A 22 7.120 -11.216 4.145 1.00 0.00 N ATOM 0 H LYS A 22 5.519 -9.331 2.627 1.00 0.00 H new ATOM 0 HA LYS A 22 3.103 -10.639 1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.883 -10.466 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.251 -11.054 4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.693 -12.951 4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.637 -12.792 2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.634 -13.051 1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.656 -11.307 1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.003 -13.287 3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.818 -12.337 2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.109 -11.157 4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.850 -10.324 3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.503 -11.382 4.966 1.00 0.00 H new ATOM 312 N VAL A 23 1.286 -9.140 2.598 1.00 0.00 N ATOM 313 CA VAL A 23 0.177 -8.291 3.017 1.00 0.00 C ATOM 314 C VAL A 23 -1.038 -9.126 3.403 1.00 0.00 C ATOM 315 O VAL A 23 -1.108 -10.319 3.103 1.00 0.00 O ATOM 316 CB VAL A 23 -0.225 -7.304 1.905 1.00 0.00 C ATOM 317 CG1 VAL A 23 0.984 -6.511 1.432 1.00 0.00 C ATOM 318 CG2 VAL A 23 -0.875 -8.043 0.746 1.00 0.00 C ATOM 0 H VAL A 23 1.069 -9.764 1.821 1.00 0.00 H new ATOM 0 HA VAL A 23 0.519 -7.729 3.886 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.953 -6.602 2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.681 -5.819 0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.401 -5.950 2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.738 -7.195 1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.153 -7.330 -0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.172 -8.769 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.767 -8.561 1.099 1.00 0.00 H new ATOM 328 N THR A 24 -1.996 -8.493 4.072 1.00 0.00 N ATOM 329 CA THR A 24 -3.210 -9.177 4.501 1.00 0.00 C ATOM 330 C THR A 24 -4.435 -8.289 4.319 1.00 0.00 C ATOM 331 O THR A 24 -4.607 -7.298 5.028 1.00 0.00 O ATOM 332 CB THR A 24 -3.119 -9.610 5.977 1.00 0.00 C ATOM 333 OG1 THR A 24 -1.818 -10.143 6.252 1.00 0.00 O ATOM 334 CG2 THR A 24 -4.178 -10.652 6.301 1.00 0.00 C ATOM 0 H THR A 24 -1.955 -7.507 4.329 1.00 0.00 H new ATOM 0 HA THR A 24 -3.311 -10.064 3.875 1.00 0.00 H new ATOM 0 HB THR A 24 -3.291 -8.733 6.601 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.768 -10.414 7.192 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.094 -10.942 7.348 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.168 -10.234 6.118 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.032 -11.528 5.669 1.00 0.00 H new ATOM 342 N ASN A 25 -5.286 -8.651 3.364 1.00 0.00 N ATOM 343 CA ASN A 25 -6.497 -7.886 3.088 1.00 0.00 C ATOM 344 C ASN A 25 -7.442 -7.915 4.285 1.00 0.00 C ATOM 345 O ASN A 25 -7.864 -8.982 4.732 1.00 0.00 O ATOM 346 CB ASN A 25 -7.205 -8.441 1.851 1.00 0.00 C ATOM 347 CG ASN A 25 -8.631 -7.940 1.728 1.00 0.00 C ATOM 348 OD1 ASN A 25 -9.573 -8.728 1.649 1.00 0.00 O ATOM 349 ND2 ASN A 25 -8.795 -6.622 1.710 1.00 0.00 N ATOM 0 H ASN A 25 -5.159 -9.469 2.768 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.209 -6.852 2.899 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.646 -8.160 0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.208 -9.530 1.895 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.731 -6.226 1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.985 -6.006 1.778 1.00 0.00 H new ATOM 356 N VAL A 26 -7.772 -6.735 4.801 1.00 0.00 N ATOM 357 CA VAL A 26 -8.669 -6.624 5.945 1.00 0.00 C ATOM 358 C VAL A 26 -9.883 -5.764 5.611 1.00 0.00 C ATOM 359 O VAL A 26 -9.980 -5.209 4.516 1.00 0.00 O ATOM 360 CB VAL A 26 -7.949 -6.024 7.167 1.00 0.00 C ATOM 361 CG1 VAL A 26 -6.704 -6.830 7.502 1.00 0.00 C ATOM 362 CG2 VAL A 26 -7.598 -4.566 6.914 1.00 0.00 C ATOM 0 H VAL A 26 -7.431 -5.842 4.444 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.999 -7.634 6.187 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.623 -6.069 8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.209 -6.391 8.368 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.986 -7.858 7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.024 -6.819 6.651 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.090 -4.157 7.787 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.942 -4.495 6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.510 -3.999 6.727 1.00 0.00 H new ATOM 372 N ASP A 27 -10.805 -5.657 6.561 1.00 0.00 N ATOM 373 CA ASP A 27 -12.012 -4.862 6.368 1.00 0.00 C ATOM 374 C ASP A 27 -11.943 -3.566 7.170 1.00 0.00 C ATOM 375 O ASP A 27 -10.970 -3.315 7.881 1.00 0.00 O ATOM 376 CB ASP A 27 -13.248 -5.665 6.778 1.00 0.00 C ATOM 377 CG ASP A 27 -13.010 -6.498 8.023 1.00 0.00 C ATOM 378 OD1 ASP A 27 -12.545 -5.933 9.035 1.00 0.00 O ATOM 379 OD2 ASP A 27 -13.289 -7.714 7.984 1.00 0.00 O ATOM 0 H ASP A 27 -10.740 -6.111 7.472 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.086 -4.610 5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.079 -4.982 6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.542 -6.319 5.957 1.00 0.00 H new ATOM 384 N ASP A 28 -12.981 -2.746 7.049 1.00 0.00 N ATOM 385 CA ASP A 28 -13.039 -1.475 7.762 1.00 0.00 C ATOM 386 C ASP A 28 -12.611 -1.648 9.216 1.00 0.00 C ATOM 387 O ASP A 28 -12.047 -0.736 9.819 1.00 0.00 O ATOM 388 CB ASP A 28 -14.452 -0.894 7.699 1.00 0.00 C ATOM 389 CG ASP A 28 -15.461 -1.744 8.444 1.00 0.00 C ATOM 390 OD1 ASP A 28 -15.608 -1.554 9.669 1.00 0.00 O ATOM 391 OD2 ASP A 28 -16.105 -2.602 7.802 1.00 0.00 O ATOM 0 H ASP A 28 -13.794 -2.939 6.464 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.349 -0.784 7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.447 0.112 8.120 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.758 -0.802 6.657 1.00 0.00 H new ATOM 396 N GLU A 29 -12.884 -2.824 9.772 1.00 0.00 N ATOM 397 CA GLU A 29 -12.529 -3.115 11.156 1.00 0.00 C ATOM 398 C GLU A 29 -11.047 -3.460 11.276 1.00 0.00 C ATOM 399 O GLU A 29 -10.388 -3.087 12.246 1.00 0.00 O ATOM 400 CB GLU A 29 -13.377 -4.270 11.692 1.00 0.00 C ATOM 401 CG GLU A 29 -14.774 -3.852 12.118 1.00 0.00 C ATOM 402 CD GLU A 29 -14.812 -3.297 13.529 1.00 0.00 C ATOM 403 OE1 GLU A 29 -14.976 -4.094 14.476 1.00 0.00 O ATOM 404 OE2 GLU A 29 -14.677 -2.065 13.686 1.00 0.00 O ATOM 0 H GLU A 29 -13.350 -3.590 9.286 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.727 -2.223 11.750 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.455 -5.039 10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.866 -4.720 12.543 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.151 -3.100 11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.442 -4.710 12.051 1.00 0.00 H new ATOM 411 N GLY A 30 -10.529 -4.176 10.283 1.00 0.00 N ATOM 412 CA GLY A 30 -9.130 -4.560 10.296 1.00 0.00 C ATOM 413 C GLY A 30 -8.941 -6.059 10.417 1.00 0.00 C ATOM 414 O GLY A 30 -7.814 -6.545 10.510 1.00 0.00 O ATOM 0 H GLY A 30 -11.054 -4.497 9.469 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.652 -4.209 9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.628 -4.065 11.128 1.00 0.00 H new ATOM 418 N VAL A 31 -10.048 -6.795 10.417 1.00 0.00 N ATOM 419 CA VAL A 31 -10.000 -8.248 10.528 1.00 0.00 C ATOM 420 C VAL A 31 -9.329 -8.871 9.309 1.00 0.00 C ATOM 421 O VAL A 31 -9.682 -8.565 8.170 1.00 0.00 O ATOM 422 CB VAL A 31 -11.411 -8.846 10.684 1.00 0.00 C ATOM 423 CG1 VAL A 31 -11.329 -10.326 11.027 1.00 0.00 C ATOM 424 CG2 VAL A 31 -12.197 -8.088 11.743 1.00 0.00 C ATOM 0 H VAL A 31 -10.989 -6.409 10.341 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.415 -8.478 11.419 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.936 -8.746 9.734 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.335 -10.731 11.133 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.807 -10.856 10.230 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.786 -10.453 11.964 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.191 -8.524 11.840 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.677 -8.154 12.699 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.287 -7.042 11.450 1.00 0.00 H new ATOM 434 N GLU A 32 -8.359 -9.745 9.556 1.00 0.00 N ATOM 435 CA GLU A 32 -7.637 -10.410 8.478 1.00 0.00 C ATOM 436 C GLU A 32 -8.569 -11.316 7.677 1.00 0.00 C ATOM 437 O GLU A 32 -9.048 -12.333 8.180 1.00 0.00 O ATOM 438 CB GLU A 32 -6.473 -11.228 9.041 1.00 0.00 C ATOM 439 CG GLU A 32 -5.529 -10.421 9.915 1.00 0.00 C ATOM 440 CD GLU A 32 -4.701 -11.292 10.840 1.00 0.00 C ATOM 441 OE1 GLU A 32 -5.250 -11.772 11.853 1.00 0.00 O ATOM 442 OE2 GLU A 32 -3.503 -11.493 10.549 1.00 0.00 O ATOM 0 H GLU A 32 -8.055 -10.009 10.493 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.243 -9.642 7.812 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.872 -12.059 9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.909 -11.659 8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.863 -9.836 9.280 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.106 -9.713 10.509 1.00 0.00 H new ATOM 449 N LEU A 33 -8.822 -10.939 6.429 1.00 0.00 N ATOM 450 CA LEU A 33 -9.697 -11.715 5.558 1.00 0.00 C ATOM 451 C LEU A 33 -8.898 -12.737 4.754 1.00 0.00 C ATOM 452 O LEU A 33 -9.143 -13.939 4.842 1.00 0.00 O ATOM 453 CB LEU A 33 -10.460 -10.788 4.610 1.00 0.00 C ATOM 454 CG LEU A 33 -11.383 -9.764 5.272 1.00 0.00 C ATOM 455 CD1 LEU A 33 -11.915 -8.780 4.241 1.00 0.00 C ATOM 456 CD2 LEU A 33 -12.530 -10.463 5.986 1.00 0.00 C ATOM 0 H LEU A 33 -8.434 -10.100 5.997 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.410 -12.250 6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.736 -10.252 3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.056 -11.402 3.935 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.806 -9.208 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.570 -8.059 4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.081 -8.255 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.476 -9.320 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.176 -9.719 6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.106 -11.045 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.131 -11.127 6.753 1.00 0.00 H new ATOM 468 N GLY A 34 -7.940 -12.248 3.972 1.00 0.00 N ATOM 469 CA GLY A 34 -7.118 -13.132 3.166 1.00 0.00 C ATOM 470 C GLY A 34 -5.703 -12.616 2.999 1.00 0.00 C ATOM 471 O GLY A 34 -5.495 -11.438 2.706 1.00 0.00 O ATOM 0 H GLY A 34 -7.719 -11.256 3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.089 -14.119 3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.575 -13.253 2.184 1.00 0.00 H new ATOM 475 N SER A 35 -4.727 -13.498 3.189 1.00 0.00 N ATOM 476 CA SER A 35 -3.323 -13.123 3.063 1.00 0.00 C ATOM 477 C SER A 35 -2.850 -13.265 1.619 1.00 0.00 C ATOM 478 O SER A 35 -3.350 -14.104 0.870 1.00 0.00 O ATOM 479 CB SER A 35 -2.458 -13.987 3.982 1.00 0.00 C ATOM 480 OG SER A 35 -2.710 -15.366 3.772 1.00 0.00 O ATOM 0 H SER A 35 -4.882 -14.477 3.431 1.00 0.00 H new ATOM 0 HA SER A 35 -3.224 -12.079 3.359 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.404 -13.775 3.800 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.660 -13.732 5.022 1.00 0.00 H new ATOM 0 HG SER A 35 -2.144 -15.897 4.370 1.00 0.00 H new ATOM 486 N GLY A 36 -1.883 -12.438 1.235 1.00 0.00 N ATOM 487 CA GLY A 36 -1.358 -12.487 -0.117 1.00 0.00 C ATOM 488 C GLY A 36 -0.016 -11.793 -0.243 1.00 0.00 C ATOM 489 O GLY A 36 0.411 -11.081 0.666 1.00 0.00 O ATOM 0 H GLY A 36 -1.454 -11.735 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.256 -13.527 -0.427 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.070 -12.020 -0.797 1.00 0.00 H new ATOM 493 N VAL A 37 0.652 -12.002 -1.373 1.00 0.00 N ATOM 494 CA VAL A 37 1.954 -11.391 -1.615 1.00 0.00 C ATOM 495 C VAL A 37 1.841 -10.224 -2.589 1.00 0.00 C ATOM 496 O VAL A 37 1.422 -10.395 -3.733 1.00 0.00 O ATOM 497 CB VAL A 37 2.959 -12.416 -2.174 1.00 0.00 C ATOM 498 CG1 VAL A 37 4.321 -11.771 -2.379 1.00 0.00 C ATOM 499 CG2 VAL A 37 3.064 -13.619 -1.248 1.00 0.00 C ATOM 0 H VAL A 37 0.313 -12.589 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 37 2.315 -11.025 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 37 2.598 -12.762 -3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.018 -12.510 -2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.230 -10.945 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.693 -11.395 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.778 -14.333 -1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.402 -13.293 -0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.087 -14.094 -1.157 1.00 0.00 H new ATOM 509 N MET A 38 2.219 -9.036 -2.126 1.00 0.00 N ATOM 510 CA MET A 38 2.161 -7.839 -2.957 1.00 0.00 C ATOM 511 C MET A 38 3.466 -7.647 -3.724 1.00 0.00 C ATOM 512 O MET A 38 4.552 -7.808 -3.168 1.00 0.00 O ATOM 513 CB MET A 38 1.875 -6.608 -2.096 1.00 0.00 C ATOM 514 CG MET A 38 1.733 -5.325 -2.899 1.00 0.00 C ATOM 515 SD MET A 38 0.115 -5.169 -3.679 1.00 0.00 S ATOM 516 CE MET A 38 -0.928 -4.909 -2.246 1.00 0.00 C ATOM 0 H MET A 38 2.568 -8.877 -1.181 1.00 0.00 H new ATOM 0 HA MET A 38 1.352 -7.965 -3.677 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.959 -6.776 -1.529 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.680 -6.486 -1.371 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.900 -4.470 -2.243 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.506 -5.294 -3.666 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.802 -4.325 -2.534 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.249 -5.872 -1.850 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.368 -4.371 -1.481 1.00 0.00 H new ATOM 526 N GLU A 39 3.351 -7.301 -5.002 1.00 0.00 N ATOM 527 CA GLU A 39 4.523 -7.088 -5.844 1.00 0.00 C ATOM 528 C GLU A 39 4.456 -5.730 -6.536 1.00 0.00 C ATOM 529 O GLU A 39 3.379 -5.267 -6.917 1.00 0.00 O ATOM 530 CB GLU A 39 4.637 -8.200 -6.888 1.00 0.00 C ATOM 531 CG GLU A 39 5.798 -8.014 -7.851 1.00 0.00 C ATOM 532 CD GLU A 39 7.124 -7.829 -7.138 1.00 0.00 C ATOM 533 OE1 GLU A 39 7.225 -8.234 -5.961 1.00 0.00 O ATOM 534 OE2 GLU A 39 8.059 -7.280 -7.757 1.00 0.00 O ATOM 0 H GLU A 39 2.459 -7.162 -5.477 1.00 0.00 H new ATOM 0 HA GLU A 39 5.406 -7.108 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.749 -9.156 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.708 -8.249 -7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.862 -8.881 -8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.606 -7.147 -8.483 1.00 0.00 H new ATOM 541 N LEU A 40 5.612 -5.096 -6.695 1.00 0.00 N ATOM 542 CA LEU A 40 5.686 -3.790 -7.342 1.00 0.00 C ATOM 543 C LEU A 40 6.689 -3.807 -8.490 1.00 0.00 C ATOM 544 O LEU A 40 7.862 -4.131 -8.301 1.00 0.00 O ATOM 545 CB LEU A 40 6.077 -2.717 -6.324 1.00 0.00 C ATOM 546 CG LEU A 40 4.924 -2.061 -5.564 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.470 -2.946 -4.413 1.00 0.00 C ATOM 548 CD2 LEU A 40 5.335 -0.688 -5.053 1.00 0.00 C ATOM 0 H LEU A 40 6.511 -5.465 -6.385 1.00 0.00 H new ATOM 0 HA LEU A 40 4.702 -3.556 -7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.757 -3.164 -5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.633 -1.937 -6.844 1.00 0.00 H new ATOM 0 HG LEU A 40 4.087 -1.936 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.649 -2.462 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.134 -3.907 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.301 -3.104 -3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.502 -0.236 -4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.188 -0.790 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.610 -0.053 -5.896 1.00 0.00 H new ATOM 560 N THR A 41 6.221 -3.454 -9.684 1.00 0.00 N ATOM 561 CA THR A 41 7.077 -3.427 -10.863 1.00 0.00 C ATOM 562 C THR A 41 7.024 -2.067 -11.550 1.00 0.00 C ATOM 563 O THR A 41 5.967 -1.442 -11.627 1.00 0.00 O ATOM 564 CB THR A 41 6.672 -4.516 -11.875 1.00 0.00 C ATOM 565 OG1 THR A 41 5.337 -4.285 -12.336 1.00 0.00 O ATOM 566 CG2 THR A 41 6.765 -5.899 -11.248 1.00 0.00 C ATOM 0 H THR A 41 5.253 -3.183 -9.859 1.00 0.00 H new ATOM 0 HA THR A 41 8.094 -3.619 -10.520 1.00 0.00 H new ATOM 0 HB THR A 41 7.360 -4.470 -12.719 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.895 -3.637 -11.748 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.474 -6.651 -11.981 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.789 -6.084 -10.925 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.098 -5.954 -10.388 1.00 0.00 H new ATOM 574 N GLN A 42 8.172 -1.615 -12.046 1.00 0.00 N ATOM 575 CA GLN A 42 8.255 -0.328 -12.726 1.00 0.00 C ATOM 576 C GLN A 42 7.005 -0.072 -13.562 1.00 0.00 C ATOM 577 O GLN A 42 6.483 1.042 -13.590 1.00 0.00 O ATOM 578 CB GLN A 42 9.498 -0.278 -13.617 1.00 0.00 C ATOM 579 CG GLN A 42 10.797 -0.140 -12.840 1.00 0.00 C ATOM 580 CD GLN A 42 10.999 1.255 -12.284 1.00 0.00 C ATOM 581 OE1 GLN A 42 10.046 2.020 -12.132 1.00 0.00 O ATOM 582 NE2 GLN A 42 12.246 1.596 -11.976 1.00 0.00 N ATOM 0 H GLN A 42 9.056 -2.121 -11.990 1.00 0.00 H new ATOM 0 HA GLN A 42 8.328 0.451 -11.968 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.539 -1.185 -14.220 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.406 0.560 -14.308 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.803 -0.858 -12.020 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.634 -0.392 -13.491 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.006 0.931 -12.118 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.443 2.523 -11.598 1.00 0.00 H new ATOM 591 N SER A 43 6.532 -1.111 -14.243 1.00 0.00 N ATOM 592 CA SER A 43 5.345 -0.998 -15.083 1.00 0.00 C ATOM 593 C SER A 43 4.139 -0.552 -14.263 1.00 0.00 C ATOM 594 O SER A 43 3.714 0.600 -14.340 1.00 0.00 O ATOM 595 CB SER A 43 5.047 -2.335 -15.765 1.00 0.00 C ATOM 596 OG SER A 43 5.792 -2.474 -16.962 1.00 0.00 O ATOM 0 H SER A 43 6.952 -2.040 -14.230 1.00 0.00 H new ATOM 0 HA SER A 43 5.541 -0.245 -15.846 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.286 -3.154 -15.087 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.982 -2.405 -15.986 1.00 0.00 H new ATOM 0 HG SER A 43 5.585 -3.337 -17.378 1.00 0.00 H new ATOM 602 N GLU A 44 3.592 -1.474 -13.477 1.00 0.00 N ATOM 603 CA GLU A 44 2.434 -1.177 -12.642 1.00 0.00 C ATOM 604 C GLU A 44 2.459 -2.006 -11.361 1.00 0.00 C ATOM 605 O GLU A 44 3.377 -2.796 -11.137 1.00 0.00 O ATOM 606 CB GLU A 44 1.140 -1.447 -13.412 1.00 0.00 C ATOM 607 CG GLU A 44 0.957 -2.904 -13.803 1.00 0.00 C ATOM 608 CD GLU A 44 0.056 -3.076 -15.010 1.00 0.00 C ATOM 609 OE1 GLU A 44 -0.913 -2.299 -15.143 1.00 0.00 O ATOM 610 OE2 GLU A 44 0.320 -3.987 -15.823 1.00 0.00 O ATOM 0 H GLU A 44 3.932 -2.433 -13.401 1.00 0.00 H new ATOM 0 HA GLU A 44 2.474 -0.122 -12.372 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.292 -1.134 -12.802 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.129 -0.834 -14.313 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.931 -3.344 -14.016 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.537 -3.452 -12.960 1.00 0.00 H new ATOM 617 N LEU A 45 1.445 -1.820 -10.523 1.00 0.00 N ATOM 618 CA LEU A 45 1.350 -2.549 -9.263 1.00 0.00 C ATOM 619 C LEU A 45 0.680 -3.904 -9.468 1.00 0.00 C ATOM 620 O LEU A 45 -0.430 -3.986 -9.994 1.00 0.00 O ATOM 621 CB LEU A 45 0.567 -1.730 -8.235 1.00 0.00 C ATOM 622 CG LEU A 45 0.994 -1.899 -6.777 1.00 0.00 C ATOM 623 CD1 LEU A 45 0.224 -0.943 -5.880 1.00 0.00 C ATOM 624 CD2 LEU A 45 0.791 -3.338 -6.325 1.00 0.00 C ATOM 0 H LEU A 45 0.677 -1.171 -10.693 1.00 0.00 H new ATOM 0 HA LEU A 45 2.361 -2.716 -8.891 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.653 -0.676 -8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.487 -1.994 -8.317 1.00 0.00 H new ATOM 0 HG LEU A 45 2.055 -1.661 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.542 -1.078 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.421 0.084 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.843 -1.148 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.100 -3.440 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.262 -3.604 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.389 -4.003 -6.948 1.00 0.00 H new ATOM 636 N VAL A 46 1.362 -4.965 -9.047 1.00 0.00 N ATOM 637 CA VAL A 46 0.831 -6.316 -9.181 1.00 0.00 C ATOM 638 C VAL A 46 0.654 -6.975 -7.818 1.00 0.00 C ATOM 639 O VAL A 46 1.490 -6.818 -6.927 1.00 0.00 O ATOM 640 CB VAL A 46 1.751 -7.197 -10.049 1.00 0.00 C ATOM 641 CG1 VAL A 46 1.136 -8.573 -10.251 1.00 0.00 C ATOM 642 CG2 VAL A 46 2.025 -6.524 -11.385 1.00 0.00 C ATOM 0 H VAL A 46 2.283 -4.915 -8.611 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.140 -6.227 -9.667 1.00 0.00 H new ATOM 0 HB VAL A 46 2.701 -7.323 -9.530 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.799 -9.181 -10.866 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.996 -9.054 -9.283 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.172 -8.471 -10.749 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.676 -7.159 -11.986 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.084 -6.366 -11.913 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.511 -5.563 -11.216 1.00 0.00 H new ATOM 652 N LEU A 47 -0.439 -7.713 -7.661 1.00 0.00 N ATOM 653 CA LEU A 47 -0.727 -8.397 -6.405 1.00 0.00 C ATOM 654 C LEU A 47 -0.880 -9.899 -6.626 1.00 0.00 C ATOM 655 O LEU A 47 -1.746 -10.341 -7.382 1.00 0.00 O ATOM 656 CB LEU A 47 -2.000 -7.831 -5.773 1.00 0.00 C ATOM 657 CG LEU A 47 -2.133 -8.005 -4.260 1.00 0.00 C ATOM 658 CD1 LEU A 47 -3.587 -7.873 -3.833 1.00 0.00 C ATOM 659 CD2 LEU A 47 -1.569 -9.351 -3.827 1.00 0.00 C ATOM 0 H LEU A 47 -1.141 -7.853 -8.388 1.00 0.00 H new ATOM 0 HA LEU A 47 0.112 -8.231 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.053 -6.767 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.859 -8.303 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.559 -7.218 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.662 -8.000 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.959 -6.886 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.183 -8.638 -4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.672 -9.458 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.116 -10.152 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.515 -9.408 -4.099 1.00 0.00 H new ATOM 671 N HIS A 48 -0.035 -10.679 -5.959 1.00 0.00 N ATOM 672 CA HIS A 48 -0.078 -12.132 -6.080 1.00 0.00 C ATOM 673 C HIS A 48 -1.087 -12.728 -5.104 1.00 0.00 C ATOM 674 O HIS A 48 -0.964 -12.562 -3.889 1.00 0.00 O ATOM 675 CB HIS A 48 1.308 -12.727 -5.828 1.00 0.00 C ATOM 676 CG HIS A 48 2.324 -12.338 -6.857 1.00 0.00 C ATOM 677 ND1 HIS A 48 2.308 -12.819 -8.149 1.00 0.00 N ATOM 678 CD2 HIS A 48 3.389 -11.506 -6.780 1.00 0.00 C ATOM 679 CE1 HIS A 48 3.321 -12.302 -8.821 1.00 0.00 C ATOM 680 NE2 HIS A 48 3.992 -11.502 -8.013 1.00 0.00 N ATOM 0 H HIS A 48 0.687 -10.329 -5.329 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.391 -12.379 -7.094 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.658 -12.409 -4.846 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.228 -13.814 -5.801 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.705 -10.949 -5.910 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.560 -12.500 -9.855 1.00 0.00 H new ATOM 0 HE2 HIS A 48 4.824 -10.968 -8.264 1.00 0.00 H new ATOM 689 N LEU A 49 -2.083 -13.423 -5.641 1.00 0.00 N ATOM 690 CA LEU A 49 -3.115 -14.044 -4.817 1.00 0.00 C ATOM 691 C LEU A 49 -3.277 -15.519 -5.169 1.00 0.00 C ATOM 692 O LEU A 49 -2.586 -16.039 -6.045 1.00 0.00 O ATOM 693 CB LEU A 49 -4.447 -13.315 -4.998 1.00 0.00 C ATOM 694 CG LEU A 49 -4.430 -11.809 -4.734 1.00 0.00 C ATOM 695 CD1 LEU A 49 -5.738 -11.174 -5.180 1.00 0.00 C ATOM 696 CD2 LEU A 49 -4.173 -11.529 -3.261 1.00 0.00 C ATOM 0 H LEU A 49 -2.198 -13.571 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.807 -13.970 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.793 -13.481 -6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.181 -13.772 -4.334 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.620 -11.367 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.707 -10.102 -4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.880 -11.344 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.566 -11.620 -4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.164 -10.452 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.961 -11.984 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.209 -11.949 -2.973 1.00 0.00 H new ATOM 789 N ALA A 54 -4.886 -12.753 -10.994 1.00 0.00 N ATOM 790 CA ALA A 54 -4.160 -11.718 -10.268 1.00 0.00 C ATOM 791 C ALA A 54 -4.741 -10.337 -10.553 1.00 0.00 C ATOM 792 O ALA A 54 -5.449 -10.142 -11.541 1.00 0.00 O ATOM 793 CB ALA A 54 -2.683 -11.756 -10.631 1.00 0.00 C ATOM 0 HA ALA A 54 -4.266 -11.915 -9.201 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.153 -10.978 -10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.269 -12.730 -10.370 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.567 -11.587 -11.702 1.00 0.00 H new ATOM 799 N VAL A 55 -4.439 -9.381 -9.680 1.00 0.00 N ATOM 800 CA VAL A 55 -4.931 -8.018 -9.838 1.00 0.00 C ATOM 801 C VAL A 55 -3.783 -7.042 -10.070 1.00 0.00 C ATOM 802 O VAL A 55 -2.731 -7.145 -9.438 1.00 0.00 O ATOM 803 CB VAL A 55 -5.734 -7.565 -8.605 1.00 0.00 C ATOM 804 CG1 VAL A 55 -6.242 -6.143 -8.791 1.00 0.00 C ATOM 805 CG2 VAL A 55 -6.888 -8.521 -8.340 1.00 0.00 C ATOM 0 H VAL A 55 -3.856 -9.526 -8.856 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.586 -8.017 -10.709 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.073 -7.579 -7.738 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.807 -5.840 -7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.396 -5.470 -8.929 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.887 -6.099 -9.668 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.445 -8.186 -7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.550 -8.541 -9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.497 -9.522 -8.159 1.00 0.00 H new ATOM 815 N ARG A 56 -3.992 -6.096 -10.980 1.00 0.00 N ATOM 816 CA ARG A 56 -2.973 -5.102 -11.295 1.00 0.00 C ATOM 817 C ARG A 56 -3.550 -3.691 -11.222 1.00 0.00 C ATOM 818 O ARG A 56 -4.634 -3.425 -11.741 1.00 0.00 O ATOM 819 CB ARG A 56 -2.397 -5.356 -12.689 1.00 0.00 C ATOM 820 CG ARG A 56 -1.921 -6.784 -12.900 1.00 0.00 C ATOM 821 CD ARG A 56 -3.044 -7.677 -13.403 1.00 0.00 C ATOM 822 NE ARG A 56 -3.136 -7.673 -14.861 1.00 0.00 N ATOM 823 CZ ARG A 56 -3.940 -8.476 -15.549 1.00 0.00 C ATOM 824 NH1 ARG A 56 -4.720 -9.341 -14.915 1.00 0.00 N ATOM 825 NH2 ARG A 56 -3.967 -8.413 -16.874 1.00 0.00 N ATOM 0 H ARG A 56 -4.857 -5.997 -11.512 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.175 -5.189 -10.557 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.156 -5.121 -13.435 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.563 -4.675 -12.858 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.099 -6.793 -13.616 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.531 -7.181 -11.963 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.881 -8.696 -13.053 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.991 -7.342 -12.979 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.551 -7.018 -15.379 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.704 -9.391 -13.896 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.336 -9.956 -15.446 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.370 -7.748 -17.365 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.585 -9.030 -17.401 1.00 0.00 H new ATOM 839 N TRP A 57 -2.818 -2.792 -10.574 1.00 0.00 N ATOM 840 CA TRP A 57 -3.258 -1.408 -10.432 1.00 0.00 C ATOM 841 C TRP A 57 -2.196 -0.444 -10.949 1.00 0.00 C ATOM 842 O TRP A 57 -1.092 -0.352 -10.410 1.00 0.00 O ATOM 843 CB TRP A 57 -3.574 -1.100 -8.967 1.00 0.00 C ATOM 844 CG TRP A 57 -4.728 -1.892 -8.430 1.00 0.00 C ATOM 845 CD1 TRP A 57 -6.047 -1.734 -8.744 1.00 0.00 C ATOM 846 CD2 TRP A 57 -4.664 -2.963 -7.482 1.00 0.00 C ATOM 847 NE1 TRP A 57 -6.808 -2.642 -8.048 1.00 0.00 N ATOM 848 CE2 TRP A 57 -5.983 -3.409 -7.268 1.00 0.00 C ATOM 849 CE3 TRP A 57 -3.622 -3.591 -6.796 1.00 0.00 C ATOM 850 CZ2 TRP A 57 -6.284 -4.452 -6.396 1.00 0.00 C ATOM 851 CZ3 TRP A 57 -3.922 -4.626 -5.930 1.00 0.00 C ATOM 852 CH2 TRP A 57 -5.244 -5.048 -5.737 1.00 0.00 C ATOM 0 H TRP A 57 -1.918 -2.996 -10.139 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.162 -1.277 -11.027 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.690 -1.302 -8.362 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.793 -0.037 -8.866 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.435 -1.003 -9.438 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.823 -2.731 -8.103 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -2.600 -3.274 -6.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.302 -4.779 -6.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.124 -5.117 -5.393 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.446 -5.860 -5.054 1.00 0.00 H new ATOM 863 N PRO A 58 -2.533 0.292 -12.018 1.00 0.00 N ATOM 864 CA PRO A 58 -1.622 1.263 -12.630 1.00 0.00 C ATOM 865 C PRO A 58 -1.390 2.481 -11.743 1.00 0.00 C ATOM 866 O PRO A 58 -2.339 3.082 -11.238 1.00 0.00 O ATOM 867 CB PRO A 58 -2.347 1.668 -13.916 1.00 0.00 C ATOM 868 CG PRO A 58 -3.788 1.421 -13.632 1.00 0.00 C ATOM 869 CD PRO A 58 -3.831 0.233 -12.711 1.00 0.00 C ATOM 0 HA PRO A 58 -0.631 0.842 -12.798 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.165 2.715 -14.160 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.004 1.078 -14.766 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.249 2.292 -13.167 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.338 1.222 -14.552 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.664 0.297 -12.011 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.950 -0.699 -13.263 1.00 0.00 H new ATOM 877 N TYR A 59 -0.125 2.839 -11.556 1.00 0.00 N ATOM 878 CA TYR A 59 0.231 3.985 -10.727 1.00 0.00 C ATOM 879 C TYR A 59 -0.391 5.266 -11.273 1.00 0.00 C ATOM 880 O TYR A 59 -0.981 6.051 -10.529 1.00 0.00 O ATOM 881 CB TYR A 59 1.751 4.134 -10.652 1.00 0.00 C ATOM 882 CG TYR A 59 2.467 2.855 -10.280 1.00 0.00 C ATOM 883 CD1 TYR A 59 2.036 2.080 -9.211 1.00 0.00 C ATOM 884 CD2 TYR A 59 3.576 2.423 -10.998 1.00 0.00 C ATOM 885 CE1 TYR A 59 2.688 0.911 -8.868 1.00 0.00 C ATOM 886 CE2 TYR A 59 4.232 1.255 -10.662 1.00 0.00 C ATOM 887 CZ TYR A 59 3.785 0.502 -9.596 1.00 0.00 C ATOM 888 OH TYR A 59 4.437 -0.661 -9.258 1.00 0.00 O ATOM 0 H TYR A 59 0.672 2.352 -11.967 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.160 3.812 -9.724 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.122 4.481 -11.617 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.997 4.904 -9.921 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.177 2.396 -8.638 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.930 3.010 -11.832 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.340 0.320 -8.033 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.091 0.933 -11.231 1.00 0.00 H new ATOM 0 HH TYR A 59 4.963 -0.976 -10.023 1.00 0.00 H new ATOM 898 N LEU A 60 -0.255 5.472 -12.579 1.00 0.00 N ATOM 899 CA LEU A 60 -0.804 6.658 -13.228 1.00 0.00 C ATOM 900 C LEU A 60 -2.222 6.938 -12.742 1.00 0.00 C ATOM 901 O LEU A 60 -2.644 8.092 -12.658 1.00 0.00 O ATOM 902 CB LEU A 60 -0.799 6.480 -14.747 1.00 0.00 C ATOM 903 CG LEU A 60 -1.773 5.442 -15.305 1.00 0.00 C ATOM 904 CD1 LEU A 60 -3.123 6.079 -15.595 1.00 0.00 C ATOM 905 CD2 LEU A 60 -1.205 4.798 -16.561 1.00 0.00 C ATOM 0 H LEU A 60 0.231 4.833 -13.209 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.176 7.509 -12.966 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.023 7.443 -15.206 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.209 6.206 -15.057 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.914 4.664 -14.554 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.803 5.325 -15.991 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.536 6.492 -14.675 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.999 6.877 -16.327 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.912 4.062 -16.944 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.034 5.564 -17.317 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.262 4.306 -16.323 1.00 0.00 H new ATOM 917 N CYS A 61 -2.952 5.875 -12.420 1.00 0.00 N ATOM 918 CA CYS A 61 -4.323 6.007 -11.941 1.00 0.00 C ATOM 919 C CYS A 61 -4.349 6.356 -10.456 1.00 0.00 C ATOM 920 O CYS A 61 -5.224 7.089 -9.995 1.00 0.00 O ATOM 921 CB CYS A 61 -5.098 4.711 -12.186 1.00 0.00 C ATOM 922 SG CYS A 61 -5.498 4.408 -13.923 1.00 0.00 S ATOM 0 H CYS A 61 -2.617 4.913 -12.482 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.799 6.817 -12.495 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.513 3.873 -11.807 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.023 4.739 -11.611 1.00 0.00 H new ATOM 0 HG CYS A 61 -6.151 3.289 -14.029 1.00 0.00 H new ATOM 928 N LEU A 62 -3.385 5.824 -9.713 1.00 0.00 N ATOM 929 CA LEU A 62 -3.298 6.078 -8.279 1.00 0.00 C ATOM 930 C LEU A 62 -3.247 7.575 -7.992 1.00 0.00 C ATOM 931 O LEU A 62 -2.173 8.177 -7.971 1.00 0.00 O ATOM 932 CB LEU A 62 -2.061 5.393 -7.694 1.00 0.00 C ATOM 933 CG LEU A 62 -2.053 3.865 -7.745 1.00 0.00 C ATOM 934 CD1 LEU A 62 -0.716 3.322 -7.264 1.00 0.00 C ATOM 935 CD2 LEU A 62 -3.192 3.297 -6.912 1.00 0.00 C ATOM 0 H LEU A 62 -2.653 5.215 -10.079 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.191 5.667 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.182 5.759 -8.225 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.957 5.702 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.197 3.555 -8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.729 2.233 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.082 3.701 -7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.542 3.642 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.170 2.208 -6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.080 3.617 -5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.143 3.659 -7.302 1.00 0.00 H new ATOM 947 N ARG A 63 -4.414 8.170 -7.771 1.00 0.00 N ATOM 948 CA ARG A 63 -4.503 9.597 -7.485 1.00 0.00 C ATOM 949 C ARG A 63 -3.943 9.909 -6.101 1.00 0.00 C ATOM 950 O ARG A 63 -3.198 10.873 -5.924 1.00 0.00 O ATOM 951 CB ARG A 63 -5.955 10.069 -7.579 1.00 0.00 C ATOM 952 CG ARG A 63 -6.096 11.568 -7.783 1.00 0.00 C ATOM 953 CD ARG A 63 -7.555 11.977 -7.921 1.00 0.00 C ATOM 954 NE ARG A 63 -7.707 13.422 -8.061 1.00 0.00 N ATOM 955 CZ ARG A 63 -8.848 14.066 -7.840 1.00 0.00 C ATOM 956 NH1 ARG A 63 -9.930 13.395 -7.469 1.00 0.00 N ATOM 957 NH2 ARG A 63 -8.908 15.383 -7.989 1.00 0.00 N ATOM 0 H ARG A 63 -5.312 7.686 -7.784 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.908 10.129 -8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.444 9.551 -8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.481 9.784 -6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.647 12.095 -6.941 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.547 11.868 -8.675 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.990 11.481 -8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.111 11.637 -7.047 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.893 13.967 -8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.887 12.383 -7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.805 13.891 -7.300 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.078 15.902 -8.274 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.785 15.876 -7.819 1.00 0.00 H new ATOM 971 N ARG A 64 -4.309 9.088 -5.121 1.00 0.00 N ATOM 972 CA ARG A 64 -3.845 9.278 -3.752 1.00 0.00 C ATOM 973 C ARG A 64 -3.498 7.940 -3.105 1.00 0.00 C ATOM 974 O ARG A 64 -4.028 6.897 -3.490 1.00 0.00 O ATOM 975 CB ARG A 64 -4.913 9.996 -2.925 1.00 0.00 C ATOM 976 CG ARG A 64 -6.250 9.274 -2.897 1.00 0.00 C ATOM 977 CD ARG A 64 -7.292 10.060 -2.118 1.00 0.00 C ATOM 978 NE ARG A 64 -7.797 11.201 -2.877 1.00 0.00 N ATOM 979 CZ ARG A 64 -8.459 12.214 -2.329 1.00 0.00 C ATOM 980 NH1 ARG A 64 -8.694 12.228 -1.024 1.00 0.00 N ATOM 981 NH2 ARG A 64 -8.886 13.216 -3.086 1.00 0.00 N ATOM 0 H ARG A 64 -4.925 8.285 -5.250 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.945 9.892 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.551 10.113 -1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.059 10.998 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.600 9.115 -3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.124 8.290 -2.446 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.121 9.403 -1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.857 10.411 -1.182 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.632 11.221 -3.883 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.366 11.460 -0.439 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.203 13.007 -0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.706 13.209 -4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.394 13.993 -2.664 1.00 0.00 H new ATOM 995 N TYR A 65 -2.607 7.979 -2.121 1.00 0.00 N ATOM 996 CA TYR A 65 -2.188 6.769 -1.423 1.00 0.00 C ATOM 997 C TYR A 65 -1.540 7.110 -0.084 1.00 0.00 C ATOM 998 O TYR A 65 -0.802 8.087 0.031 1.00 0.00 O ATOM 999 CB TYR A 65 -1.210 5.970 -2.285 1.00 0.00 C ATOM 1000 CG TYR A 65 -0.064 6.795 -2.825 1.00 0.00 C ATOM 1001 CD1 TYR A 65 -0.241 7.633 -3.920 1.00 0.00 C ATOM 1002 CD2 TYR A 65 1.196 6.737 -2.243 1.00 0.00 C ATOM 1003 CE1 TYR A 65 0.803 8.389 -4.417 1.00 0.00 C ATOM 1004 CE2 TYR A 65 2.245 7.490 -2.732 1.00 0.00 C ATOM 1005 CZ TYR A 65 2.044 8.314 -3.820 1.00 0.00 C ATOM 1006 OH TYR A 65 3.087 9.065 -4.311 1.00 0.00 O ATOM 0 H TYR A 65 -2.161 8.834 -1.789 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.075 6.164 -1.235 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.807 5.147 -1.695 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.753 5.527 -3.120 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.211 7.694 -4.390 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.358 6.091 -1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.648 9.035 -5.268 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.217 7.434 -2.265 1.00 0.00 H new ATOM 0 HH TYR A 65 2.738 9.890 -4.708 1.00 0.00 H new ATOM 1016 N GLY A 66 -1.824 6.295 0.928 1.00 0.00 N ATOM 1017 CA GLY A 66 -1.262 6.526 2.246 1.00 0.00 C ATOM 1018 C GLY A 66 -0.754 5.251 2.890 1.00 0.00 C ATOM 1019 O GLY A 66 -0.910 4.163 2.337 1.00 0.00 O ATOM 0 H GLY A 66 -2.433 5.480 0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.443 7.242 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.020 6.977 2.887 1.00 0.00 H new ATOM 1023 N TYR A 67 -0.143 5.386 4.062 1.00 0.00 N ATOM 1024 CA TYR A 67 0.394 4.236 4.781 1.00 0.00 C ATOM 1025 C TYR A 67 0.571 4.554 6.262 1.00 0.00 C ATOM 1026 O TYR A 67 1.078 5.616 6.625 1.00 0.00 O ATOM 1027 CB TYR A 67 1.733 3.810 4.176 1.00 0.00 C ATOM 1028 CG TYR A 67 2.896 4.674 4.609 1.00 0.00 C ATOM 1029 CD1 TYR A 67 2.874 6.050 4.416 1.00 0.00 C ATOM 1030 CD2 TYR A 67 4.016 4.114 5.211 1.00 0.00 C ATOM 1031 CE1 TYR A 67 3.935 6.843 4.810 1.00 0.00 C ATOM 1032 CE2 TYR A 67 5.080 4.899 5.609 1.00 0.00 C ATOM 1033 CZ TYR A 67 5.035 6.263 5.407 1.00 0.00 C ATOM 1034 OH TYR A 67 6.094 7.049 5.801 1.00 0.00 O ATOM 0 H TYR A 67 -0.007 6.280 4.534 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.318 3.416 4.687 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.936 2.776 4.455 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.656 3.837 3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.013 6.507 3.950 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.055 3.047 5.370 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.903 7.911 4.651 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.943 4.448 6.076 1.00 0.00 H new ATOM 0 HH TYR A 67 6.787 6.486 6.205 1.00 0.00 H new ATOM 1044 N ASP A 68 0.149 3.626 7.114 1.00 0.00 N ATOM 1045 CA ASP A 68 0.262 3.804 8.557 1.00 0.00 C ATOM 1046 C ASP A 68 1.410 2.973 9.119 1.00 0.00 C ATOM 1047 O ASP A 68 2.075 2.239 8.388 1.00 0.00 O ATOM 1048 CB ASP A 68 -1.049 3.417 9.244 1.00 0.00 C ATOM 1049 CG ASP A 68 -1.171 4.011 10.633 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -0.973 5.236 10.774 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -1.464 3.251 11.580 1.00 0.00 O ATOM 0 H ASP A 68 -0.275 2.743 6.830 1.00 0.00 H new ATOM 0 HA ASP A 68 0.469 4.856 8.753 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.888 3.751 8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.115 2.331 9.309 1.00 0.00 H new ATOM 1056 N SER A 69 1.638 3.093 10.423 1.00 0.00 N ATOM 1057 CA SER A 69 2.710 2.356 11.083 1.00 0.00 C ATOM 1058 C SER A 69 2.872 0.969 10.471 1.00 0.00 C ATOM 1059 O SER A 69 3.957 0.598 10.026 1.00 0.00 O ATOM 1060 CB SER A 69 2.426 2.235 12.582 1.00 0.00 C ATOM 1061 OG SER A 69 2.803 3.415 13.270 1.00 0.00 O ATOM 0 H SER A 69 1.095 3.693 11.043 1.00 0.00 H new ATOM 0 HA SER A 69 3.639 2.908 10.940 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.365 2.042 12.740 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.969 1.383 12.991 1.00 0.00 H new ATOM 0 HG SER A 69 2.610 3.313 14.225 1.00 0.00 H new ATOM 1067 N ASN A 70 1.783 0.206 10.452 1.00 0.00 N ATOM 1068 CA ASN A 70 1.804 -1.142 9.895 1.00 0.00 C ATOM 1069 C ASN A 70 0.597 -1.375 8.991 1.00 0.00 C ATOM 1070 O ASN A 70 0.038 -2.472 8.954 1.00 0.00 O ATOM 1071 CB ASN A 70 1.822 -2.180 11.019 1.00 0.00 C ATOM 1072 CG ASN A 70 3.187 -2.307 11.667 1.00 0.00 C ATOM 1073 OD1 ASN A 70 4.090 -1.515 11.398 1.00 0.00 O ATOM 1074 ND2 ASN A 70 3.343 -3.308 12.526 1.00 0.00 N ATOM 0 H ASN A 70 0.876 0.498 10.816 1.00 0.00 H new ATOM 0 HA ASN A 70 2.709 -1.248 9.297 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.088 -1.905 11.776 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.521 -3.149 10.620 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.239 -3.444 12.993 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.566 -3.940 12.719 1.00 0.00 H new ATOM 1081 N LEU A 71 0.201 -0.337 8.263 1.00 0.00 N ATOM 1082 CA LEU A 71 -0.939 -0.428 7.358 1.00 0.00 C ATOM 1083 C LEU A 71 -0.610 0.192 6.003 1.00 0.00 C ATOM 1084 O LEU A 71 0.226 1.090 5.907 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.157 0.269 7.967 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.513 -0.103 7.367 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -3.826 -1.569 7.623 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -4.609 0.785 7.937 1.00 0.00 C ATOM 0 H LEU A 71 0.653 0.577 8.282 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.169 -1.483 7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.181 0.048 9.034 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.021 1.346 7.868 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.468 0.055 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.795 -1.815 7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.055 -2.191 7.167 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.852 -1.753 8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.567 0.506 7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.654 0.659 9.019 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.392 1.827 7.702 1.00 0.00 H new ATOM 1100 N PHE A 72 -1.274 -0.293 4.959 1.00 0.00 N ATOM 1101 CA PHE A 72 -1.052 0.214 3.610 1.00 0.00 C ATOM 1102 C PHE A 72 -2.366 0.298 2.839 1.00 0.00 C ATOM 1103 O PHE A 72 -2.945 -0.721 2.463 1.00 0.00 O ATOM 1104 CB PHE A 72 -0.065 -0.684 2.861 1.00 0.00 C ATOM 1105 CG PHE A 72 0.089 -0.324 1.410 1.00 0.00 C ATOM 1106 CD1 PHE A 72 0.364 0.980 1.032 1.00 0.00 C ATOM 1107 CD2 PHE A 72 -0.039 -1.291 0.426 1.00 0.00 C ATOM 1108 CE1 PHE A 72 0.506 1.313 -0.302 1.00 0.00 C ATOM 1109 CE2 PHE A 72 0.102 -0.964 -0.909 1.00 0.00 C ATOM 1110 CZ PHE A 72 0.376 0.340 -1.274 1.00 0.00 C ATOM 0 H PHE A 72 -1.970 -1.036 5.021 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.632 1.217 3.689 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.909 -0.625 3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.398 -1.719 2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.469 1.745 1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.251 -2.312 0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.719 2.334 -0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.002 -1.727 -1.666 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.488 0.598 -2.317 1.00 0.00 H new ATOM 1120 N SER A 73 -2.832 1.522 2.607 1.00 0.00 N ATOM 1121 CA SER A 73 -4.080 1.741 1.885 1.00 0.00 C ATOM 1122 C SER A 73 -3.873 2.711 0.726 1.00 0.00 C ATOM 1123 O SER A 73 -3.172 3.714 0.858 1.00 0.00 O ATOM 1124 CB SER A 73 -5.153 2.282 2.832 1.00 0.00 C ATOM 1125 OG SER A 73 -6.450 2.095 2.292 1.00 0.00 O ATOM 0 H SER A 73 -2.364 2.377 2.909 1.00 0.00 H new ATOM 0 HA SER A 73 -4.411 0.784 1.481 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.080 1.777 3.795 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.981 3.343 3.014 1.00 0.00 H new ATOM 0 HG SER A 73 -6.781 2.945 1.935 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.489 2.403 -0.411 1.00 0.00 N ATOM 1132 CA PHE A 74 -4.372 3.246 -1.596 1.00 0.00 C ATOM 1133 C PHE A 74 -5.702 3.323 -2.341 1.00 0.00 C ATOM 1134 O PHE A 74 -6.574 2.474 -2.163 1.00 0.00 O ATOM 1135 CB PHE A 74 -3.284 2.707 -2.526 1.00 0.00 C ATOM 1136 CG PHE A 74 -3.476 1.265 -2.901 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -4.229 0.918 -4.011 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -2.902 0.256 -2.144 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -4.408 -0.408 -4.358 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -3.077 -1.072 -2.486 1.00 0.00 C ATOM 1141 CZ PHE A 74 -3.830 -1.404 -3.595 1.00 0.00 C ATOM 0 H PHE A 74 -5.074 1.577 -0.537 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.098 4.250 -1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.261 3.310 -3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.314 2.822 -2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.681 1.693 -4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.311 0.510 -1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.999 -0.665 -5.225 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.625 -1.849 -1.887 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.967 -2.441 -3.865 1.00 0.00 H new ATOM 1151 N GLU A 75 -5.847 4.348 -3.175 1.00 0.00 N ATOM 1152 CA GLU A 75 -7.070 4.537 -3.946 1.00 0.00 C ATOM 1153 C GLU A 75 -6.806 4.355 -5.438 1.00 0.00 C ATOM 1154 O GLU A 75 -5.918 4.991 -6.004 1.00 0.00 O ATOM 1155 CB GLU A 75 -7.653 5.927 -3.686 1.00 0.00 C ATOM 1156 CG GLU A 75 -9.142 6.026 -3.972 1.00 0.00 C ATOM 1157 CD GLU A 75 -9.462 5.915 -5.450 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -8.628 6.349 -6.272 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -10.546 5.394 -5.785 1.00 0.00 O ATOM 0 H GLU A 75 -5.134 5.059 -3.334 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.790 3.783 -3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.473 6.199 -2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.124 6.655 -4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.665 5.238 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.518 6.976 -3.593 1.00 0.00 H new ATOM 1166 N SER A 76 -7.585 3.481 -6.068 1.00 0.00 N ATOM 1167 CA SER A 76 -7.434 3.211 -7.493 1.00 0.00 C ATOM 1168 C SER A 76 -8.625 3.752 -8.278 1.00 0.00 C ATOM 1169 O SER A 76 -9.766 3.350 -8.051 1.00 0.00 O ATOM 1170 CB SER A 76 -7.288 1.707 -7.736 1.00 0.00 C ATOM 1171 OG SER A 76 -6.135 1.196 -7.091 1.00 0.00 O ATOM 0 H SER A 76 -8.327 2.948 -5.614 1.00 0.00 H new ATOM 0 HA SER A 76 -6.533 3.717 -7.840 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.174 1.188 -7.369 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.226 1.513 -8.807 1.00 0.00 H new ATOM 0 HG SER A 76 -5.930 0.306 -7.445 1.00 0.00 H new ATOM 1177 N GLY A 77 -8.351 4.666 -9.203 1.00 0.00 N ATOM 1178 CA GLY A 77 -9.409 5.248 -10.008 1.00 0.00 C ATOM 1179 C GLY A 77 -10.326 4.200 -10.605 1.00 0.00 C ATOM 1180 O GLY A 77 -10.098 3.001 -10.444 1.00 0.00 O ATOM 0 H GLY A 77 -7.415 5.014 -9.410 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.995 5.931 -9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.968 5.840 -10.810 1.00 0.00 H new ATOM 1184 N ARG A 78 -11.369 4.651 -11.295 1.00 0.00 N ATOM 1185 CA ARG A 78 -12.326 3.743 -11.915 1.00 0.00 C ATOM 1186 C ARG A 78 -11.823 3.270 -13.276 1.00 0.00 C ATOM 1187 O ARG A 78 -12.603 3.110 -14.215 1.00 0.00 O ATOM 1188 CB ARG A 78 -13.684 4.429 -12.072 1.00 0.00 C ATOM 1189 CG ARG A 78 -13.695 5.525 -13.125 1.00 0.00 C ATOM 1190 CD ARG A 78 -14.795 6.541 -12.860 1.00 0.00 C ATOM 1191 NE ARG A 78 -16.064 6.145 -13.466 1.00 0.00 N ATOM 1192 CZ ARG A 78 -17.236 6.667 -13.123 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -17.301 7.601 -12.185 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -18.347 6.254 -13.720 1.00 0.00 N ATOM 0 H ARG A 78 -11.572 5.640 -11.439 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.438 2.875 -11.266 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -14.432 3.680 -12.332 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -13.979 4.855 -11.113 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.728 6.029 -13.138 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.837 5.082 -14.111 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.928 6.659 -11.785 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.493 7.512 -13.252 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.049 5.429 -14.192 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.449 7.921 -11.724 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -18.203 8.000 -11.924 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -18.301 5.535 -14.442 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -19.247 6.655 -13.456 1.00 0.00 H new ATOM 1208 N ARG A 79 -10.517 3.047 -13.373 1.00 0.00 N ATOM 1209 CA ARG A 79 -9.910 2.594 -14.619 1.00 0.00 C ATOM 1210 C ARG A 79 -9.122 1.305 -14.403 1.00 0.00 C ATOM 1211 O ARG A 79 -8.133 1.048 -15.089 1.00 0.00 O ATOM 1212 CB ARG A 79 -8.991 3.677 -15.187 1.00 0.00 C ATOM 1213 CG ARG A 79 -9.716 4.963 -15.548 1.00 0.00 C ATOM 1214 CD ARG A 79 -8.811 5.916 -16.314 1.00 0.00 C ATOM 1215 NE ARG A 79 -8.839 5.662 -17.751 1.00 0.00 N ATOM 1216 CZ ARG A 79 -7.938 6.141 -18.601 1.00 0.00 C ATOM 1217 NH1 ARG A 79 -6.941 6.896 -18.158 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -8.031 5.866 -19.895 1.00 0.00 N ATOM 0 H ARG A 79 -9.859 3.172 -12.604 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.710 2.395 -15.332 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.213 3.901 -14.457 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.492 3.289 -16.075 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.594 4.730 -16.150 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.072 5.449 -14.639 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.121 6.943 -16.122 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.789 5.817 -15.948 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.593 5.084 -18.123 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.866 7.109 -17.163 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.250 7.263 -18.812 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.796 5.285 -20.239 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.338 6.235 -20.546 1.00 0.00 H new ATOM 1232 N CYS A 80 -9.567 0.500 -13.445 1.00 0.00 N ATOM 1233 CA CYS A 80 -8.903 -0.762 -13.137 1.00 0.00 C ATOM 1234 C CYS A 80 -9.921 -1.885 -12.967 1.00 0.00 C ATOM 1235 O CYS A 80 -11.070 -1.643 -12.596 1.00 0.00 O ATOM 1236 CB CYS A 80 -8.062 -0.623 -11.867 1.00 0.00 C ATOM 1237 SG CYS A 80 -8.988 -0.035 -10.429 1.00 0.00 S ATOM 0 H CYS A 80 -10.384 0.698 -12.868 1.00 0.00 H new ATOM 0 HA CYS A 80 -8.249 -1.013 -13.972 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -7.619 -1.590 -11.630 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.239 0.065 -12.062 1.00 0.00 H new ATOM 0 HG CYS A 80 -9.346 1.200 -10.619 1.00 0.00 H new ATOM 1243 N GLN A 81 -9.492 -3.112 -13.241 1.00 0.00 N ATOM 1244 CA GLN A 81 -10.368 -4.272 -13.121 1.00 0.00 C ATOM 1245 C GLN A 81 -11.300 -4.128 -11.922 1.00 0.00 C ATOM 1246 O GLN A 81 -12.506 -3.935 -12.079 1.00 0.00 O ATOM 1247 CB GLN A 81 -9.540 -5.551 -12.986 1.00 0.00 C ATOM 1248 CG GLN A 81 -10.367 -6.778 -12.639 1.00 0.00 C ATOM 1249 CD GLN A 81 -10.498 -6.990 -11.144 1.00 0.00 C ATOM 1250 OE1 GLN A 81 -11.590 -6.895 -10.585 1.00 0.00 O ATOM 1251 NE2 GLN A 81 -9.380 -7.279 -10.487 1.00 0.00 N ATOM 0 H GLN A 81 -8.544 -3.329 -13.548 1.00 0.00 H new ATOM 0 HA GLN A 81 -10.974 -4.333 -14.025 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.012 -5.732 -13.922 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.783 -5.404 -12.216 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.360 -6.677 -13.076 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.909 -7.659 -13.088 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.496 -7.348 -10.991 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -9.406 -7.432 -9.479 1.00 0.00 H new ATOM 1260 N THR A 82 -10.734 -4.223 -10.723 1.00 0.00 N ATOM 1261 CA THR A 82 -11.514 -4.105 -9.498 1.00 0.00 C ATOM 1262 C THR A 82 -12.445 -2.900 -9.553 1.00 0.00 C ATOM 1263 O THR A 82 -13.615 -2.989 -9.183 1.00 0.00 O ATOM 1264 CB THR A 82 -10.604 -3.980 -8.262 1.00 0.00 C ATOM 1265 OG1 THR A 82 -9.704 -2.879 -8.426 1.00 0.00 O ATOM 1266 CG2 THR A 82 -9.812 -5.260 -8.041 1.00 0.00 C ATOM 0 H THR A 82 -9.737 -4.381 -10.575 1.00 0.00 H new ATOM 0 HA THR A 82 -12.107 -5.016 -9.413 1.00 0.00 H new ATOM 0 HB THR A 82 -11.235 -3.807 -7.390 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.616 -2.399 -7.576 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.177 -5.148 -7.163 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.500 -6.092 -7.887 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.191 -5.459 -8.915 1.00 0.00 H new ATOM 1274 N GLY A 83 -11.918 -1.771 -10.018 1.00 0.00 N ATOM 1275 CA GLY A 83 -12.717 -0.563 -10.114 1.00 0.00 C ATOM 1276 C GLY A 83 -12.450 0.400 -8.974 1.00 0.00 C ATOM 1277 O GLY A 83 -11.534 0.191 -8.179 1.00 0.00 O ATOM 0 H GLY A 83 -10.952 -1.672 -10.330 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.507 -0.067 -11.062 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.774 -0.830 -10.121 1.00 0.00 H new ATOM 1281 N GLN A 84 -13.250 1.458 -8.896 1.00 0.00 N ATOM 1282 CA GLN A 84 -13.093 2.458 -7.847 1.00 0.00 C ATOM 1283 C GLN A 84 -13.315 1.842 -6.470 1.00 0.00 C ATOM 1284 O GLN A 84 -14.187 0.992 -6.292 1.00 0.00 O ATOM 1285 CB GLN A 84 -14.070 3.615 -8.065 1.00 0.00 C ATOM 1286 CG GLN A 84 -13.575 4.942 -7.515 1.00 0.00 C ATOM 1287 CD GLN A 84 -14.606 6.046 -7.637 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -15.514 5.975 -8.466 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -14.473 7.076 -6.809 1.00 0.00 N ATOM 0 H GLN A 84 -14.013 1.645 -9.546 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.073 2.840 -7.894 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.260 3.722 -9.133 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.022 3.369 -7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.304 4.818 -6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -12.669 5.236 -8.046 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -13.706 7.095 -6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -15.138 7.848 -6.845 1.00 0.00 H new ATOM 1298 N GLY A 85 -12.520 2.276 -5.497 1.00 0.00 N ATOM 1299 CA GLY A 85 -12.645 1.755 -4.148 1.00 0.00 C ATOM 1300 C GLY A 85 -11.401 1.994 -3.316 1.00 0.00 C ATOM 1301 O GLY A 85 -10.423 2.565 -3.800 1.00 0.00 O ATOM 0 H GLY A 85 -11.791 2.979 -5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.500 2.222 -3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.848 0.685 -4.193 1.00 0.00 H new ATOM 1305 N ILE A 86 -11.437 1.557 -2.062 1.00 0.00 N ATOM 1306 CA ILE A 86 -10.303 1.728 -1.161 1.00 0.00 C ATOM 1307 C ILE A 86 -9.866 0.392 -0.570 1.00 0.00 C ATOM 1308 O ILE A 86 -10.555 -0.180 0.275 1.00 0.00 O ATOM 1309 CB ILE A 86 -10.636 2.700 -0.015 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -10.960 4.088 -0.571 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -9.479 2.775 0.970 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -11.768 4.946 0.376 1.00 0.00 C ATOM 0 H ILE A 86 -12.238 1.082 -1.646 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.488 2.145 -1.753 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.514 2.327 0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -10.028 4.602 -0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.510 3.977 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.730 3.466 1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.292 1.786 1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.585 3.127 0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.960 5.915 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.716 4.454 0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.212 5.089 1.302 1.00 0.00 H new ATOM 1324 N PHE A 87 -8.715 -0.099 -1.017 1.00 0.00 N ATOM 1325 CA PHE A 87 -8.184 -1.367 -0.532 1.00 0.00 C ATOM 1326 C PHE A 87 -7.048 -1.137 0.460 1.00 0.00 C ATOM 1327 O PHE A 87 -6.075 -0.447 0.157 1.00 0.00 O ATOM 1328 CB PHE A 87 -7.690 -2.220 -1.702 1.00 0.00 C ATOM 1329 CG PHE A 87 -8.649 -2.265 -2.857 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -8.680 -1.242 -3.790 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -9.521 -3.332 -3.009 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -9.561 -1.281 -4.855 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -10.404 -3.377 -4.072 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.425 -2.350 -4.995 1.00 0.00 C ATOM 0 H PHE A 87 -8.132 0.363 -1.715 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.988 -1.896 -0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.734 -1.828 -2.049 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.509 -3.236 -1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.008 -0.403 -3.684 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -9.510 -4.137 -2.289 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.574 -0.477 -5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -11.077 -4.215 -4.180 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.116 -2.382 -5.825 1.00 0.00 H new ATOM 1344 N ALA A 88 -7.179 -1.721 1.647 1.00 0.00 N ATOM 1345 CA ALA A 88 -6.163 -1.581 2.683 1.00 0.00 C ATOM 1346 C ALA A 88 -5.680 -2.944 3.165 1.00 0.00 C ATOM 1347 O ALA A 88 -6.482 -3.835 3.445 1.00 0.00 O ATOM 1348 CB ALA A 88 -6.707 -0.769 3.849 1.00 0.00 C ATOM 0 H ALA A 88 -7.978 -2.295 1.915 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.311 -1.054 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.938 -0.672 4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.997 0.222 3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.577 -1.274 4.270 1.00 0.00 H new ATOM 1354 N PHE A 89 -4.363 -3.101 3.259 1.00 0.00 N ATOM 1355 CA PHE A 89 -3.773 -4.357 3.705 1.00 0.00 C ATOM 1356 C PHE A 89 -2.825 -4.126 4.878 1.00 0.00 C ATOM 1357 O PHE A 89 -2.240 -3.051 5.017 1.00 0.00 O ATOM 1358 CB PHE A 89 -3.022 -5.031 2.554 1.00 0.00 C ATOM 1359 CG PHE A 89 -3.757 -4.974 1.245 1.00 0.00 C ATOM 1360 CD1 PHE A 89 -4.030 -3.757 0.641 1.00 0.00 C ATOM 1361 CD2 PHE A 89 -4.175 -6.137 0.619 1.00 0.00 C ATOM 1362 CE1 PHE A 89 -4.706 -3.701 -0.563 1.00 0.00 C ATOM 1363 CE2 PHE A 89 -4.850 -6.087 -0.586 1.00 0.00 C ATOM 1364 CZ PHE A 89 -5.117 -4.868 -1.177 1.00 0.00 C ATOM 0 H PHE A 89 -3.685 -2.374 3.032 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.580 -5.011 4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.049 -4.554 2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.837 -6.074 2.813 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.711 -2.842 1.117 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.971 -7.093 1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.913 -2.746 -1.023 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.168 -7.001 -1.065 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.646 -4.827 -2.118 1.00 0.00 H new ATOM 1374 N LYS A 90 -2.678 -5.142 5.722 1.00 0.00 N ATOM 1375 CA LYS A 90 -1.802 -5.052 6.884 1.00 0.00 C ATOM 1376 C LYS A 90 -0.418 -5.609 6.566 1.00 0.00 C ATOM 1377 O LYS A 90 -0.278 -6.775 6.192 1.00 0.00 O ATOM 1378 CB LYS A 90 -2.409 -5.811 8.066 1.00 0.00 C ATOM 1379 CG LYS A 90 -3.562 -5.079 8.730 1.00 0.00 C ATOM 1380 CD LYS A 90 -4.490 -6.041 9.453 1.00 0.00 C ATOM 1381 CE LYS A 90 -4.051 -6.264 10.892 1.00 0.00 C ATOM 1382 NZ LYS A 90 -3.058 -7.368 11.004 1.00 0.00 N ATOM 0 H LYS A 90 -3.155 -6.038 5.623 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.699 -4.000 7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.758 -6.785 7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.631 -5.995 8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.171 -4.348 9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.124 -4.525 7.978 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.506 -5.648 9.438 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.510 -6.995 8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.618 -5.345 11.286 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.922 -6.495 11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.312 -7.984 11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.056 -7.924 10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.111 -6.968 11.163 1.00 0.00 H new ATOM 1396 N CYS A 91 0.601 -4.771 6.718 1.00 0.00 N ATOM 1397 CA CYS A 91 1.975 -5.181 6.447 1.00 0.00 C ATOM 1398 C CYS A 91 2.964 -4.291 7.192 1.00 0.00 C ATOM 1399 O CYS A 91 2.989 -3.075 6.999 1.00 0.00 O ATOM 1400 CB CYS A 91 2.257 -5.131 4.945 1.00 0.00 C ATOM 1401 SG CYS A 91 3.931 -5.644 4.491 1.00 0.00 S ATOM 0 H CYS A 91 0.502 -3.804 7.027 1.00 0.00 H new ATOM 0 HA CYS A 91 2.099 -6.205 6.799 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.540 -5.771 4.430 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.091 -4.114 4.589 1.00 0.00 H new ATOM 0 HG CYS A 91 3.934 -6.913 4.207 1.00 0.00 H new ATOM 1407 N SER A 92 3.777 -4.904 8.047 1.00 0.00 N ATOM 1408 CA SER A 92 4.765 -4.167 8.826 1.00 0.00 C ATOM 1409 C SER A 92 5.741 -3.433 7.911 1.00 0.00 C ATOM 1410 O SER A 92 6.430 -2.506 8.336 1.00 0.00 O ATOM 1411 CB SER A 92 5.530 -5.117 9.749 1.00 0.00 C ATOM 1412 OG SER A 92 6.341 -4.399 10.662 1.00 0.00 O ATOM 0 H SER A 92 3.771 -5.910 8.218 1.00 0.00 H new ATOM 0 HA SER A 92 4.237 -3.430 9.432 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.825 -5.742 10.298 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.152 -5.785 9.153 1.00 0.00 H new ATOM 0 HG SER A 92 6.818 -5.029 11.241 1.00 0.00 H new ATOM 1418 N ARG A 93 5.793 -3.855 6.652 1.00 0.00 N ATOM 1419 CA ARG A 93 6.684 -3.240 5.676 1.00 0.00 C ATOM 1420 C ARG A 93 5.931 -2.238 4.806 1.00 0.00 C ATOM 1421 O ARG A 93 6.369 -1.902 3.707 1.00 0.00 O ATOM 1422 CB ARG A 93 7.329 -4.312 4.795 1.00 0.00 C ATOM 1423 CG ARG A 93 8.185 -5.302 5.569 1.00 0.00 C ATOM 1424 CD ARG A 93 9.314 -5.852 4.711 1.00 0.00 C ATOM 1425 NE ARG A 93 10.458 -4.946 4.666 1.00 0.00 N ATOM 1426 CZ ARG A 93 11.399 -4.903 5.602 1.00 0.00 C ATOM 1427 NH1 ARG A 93 11.333 -5.712 6.651 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.410 -4.051 5.490 1.00 0.00 N ATOM 0 H ARG A 93 5.228 -4.621 6.284 1.00 0.00 H new ATOM 0 HA ARG A 93 7.464 -2.708 6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.546 -4.856 4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.945 -3.826 4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.601 -4.814 6.450 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.563 -6.124 5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.631 -6.817 5.105 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.949 -6.025 3.699 1.00 0.00 H new ATOM 0 HE ARG A 93 10.539 -4.311 3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.558 -6.369 6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.057 -5.677 7.368 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.465 -3.428 4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.132 -4.019 6.210 1.00 0.00 H new ATOM 1442 N ALA A 94 4.794 -1.766 5.307 1.00 0.00 N ATOM 1443 CA ALA A 94 3.980 -0.802 4.577 1.00 0.00 C ATOM 1444 C ALA A 94 4.798 0.426 4.190 1.00 0.00 C ATOM 1445 O ALA A 94 4.564 1.034 3.146 1.00 0.00 O ATOM 1446 CB ALA A 94 2.773 -0.393 5.409 1.00 0.00 C ATOM 0 H ALA A 94 4.416 -2.036 6.215 1.00 0.00 H new ATOM 0 HA ALA A 94 3.632 -1.278 3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.174 0.327 4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.169 -1.273 5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.110 0.060 6.341 1.00 0.00 H new ATOM 1452 N GLU A 95 5.756 0.785 5.039 1.00 0.00 N ATOM 1453 CA GLU A 95 6.607 1.941 4.784 1.00 0.00 C ATOM 1454 C GLU A 95 7.449 1.732 3.529 1.00 0.00 C ATOM 1455 O GLU A 95 7.630 2.650 2.731 1.00 0.00 O ATOM 1456 CB GLU A 95 7.518 2.206 5.985 1.00 0.00 C ATOM 1457 CG GLU A 95 8.547 3.296 5.739 1.00 0.00 C ATOM 1458 CD GLU A 95 9.748 3.182 6.658 1.00 0.00 C ATOM 1459 OE1 GLU A 95 9.715 3.776 7.756 1.00 0.00 O ATOM 1460 OE2 GLU A 95 10.722 2.498 6.278 1.00 0.00 O ATOM 0 H GLU A 95 5.962 0.293 5.908 1.00 0.00 H new ATOM 0 HA GLU A 95 5.963 2.806 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.904 2.484 6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.035 1.283 6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.881 3.248 4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.079 4.271 5.878 1.00 0.00 H new ATOM 1467 N GLU A 96 7.961 0.516 3.363 1.00 0.00 N ATOM 1468 CA GLU A 96 8.786 0.186 2.206 1.00 0.00 C ATOM 1469 C GLU A 96 7.953 0.186 0.928 1.00 0.00 C ATOM 1470 O GLU A 96 8.383 0.699 -0.106 1.00 0.00 O ATOM 1471 CB GLU A 96 9.448 -1.180 2.397 1.00 0.00 C ATOM 1472 CG GLU A 96 10.781 -1.113 3.124 1.00 0.00 C ATOM 1473 CD GLU A 96 11.722 -2.231 2.720 1.00 0.00 C ATOM 1474 OE1 GLU A 96 11.247 -3.371 2.536 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.935 -1.965 2.587 1.00 0.00 O ATOM 0 H GLU A 96 7.819 -0.256 4.014 1.00 0.00 H new ATOM 0 HA GLU A 96 9.561 0.947 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.771 -1.828 2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.599 -1.641 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.254 -0.153 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.607 -1.160 4.199 1.00 0.00 H new ATOM 1482 N ILE A 97 6.760 -0.395 1.006 1.00 0.00 N ATOM 1483 CA ILE A 97 5.867 -0.462 -0.144 1.00 0.00 C ATOM 1484 C ILE A 97 5.434 0.932 -0.586 1.00 0.00 C ATOM 1485 O ILE A 97 5.467 1.257 -1.773 1.00 0.00 O ATOM 1486 CB ILE A 97 4.614 -1.303 0.164 1.00 0.00 C ATOM 1487 CG1 ILE A 97 5.016 -2.705 0.629 1.00 0.00 C ATOM 1488 CG2 ILE A 97 3.715 -1.383 -1.061 1.00 0.00 C ATOM 1489 CD1 ILE A 97 3.934 -3.415 1.411 1.00 0.00 C ATOM 0 H ILE A 97 6.390 -0.826 1.853 1.00 0.00 H new ATOM 0 HA ILE A 97 6.425 -0.939 -0.949 1.00 0.00 H new ATOM 0 HB ILE A 97 4.058 -0.819 0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.278 -3.306 -0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.911 -2.631 1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.834 -1.981 -0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.406 -0.379 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.260 -1.847 -1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.288 -4.402 1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.688 -2.835 2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.045 -3.520 0.789 1.00 0.00 H new ATOM 1501 N PHE A 98 5.029 1.752 0.377 1.00 0.00 N ATOM 1502 CA PHE A 98 4.589 3.112 0.088 1.00 0.00 C ATOM 1503 C PHE A 98 5.732 3.942 -0.489 1.00 0.00 C ATOM 1504 O PHE A 98 5.577 4.604 -1.514 1.00 0.00 O ATOM 1505 CB PHE A 98 4.051 3.778 1.357 1.00 0.00 C ATOM 1506 CG PHE A 98 3.858 5.261 1.220 1.00 0.00 C ATOM 1507 CD1 PHE A 98 4.910 6.134 1.446 1.00 0.00 C ATOM 1508 CD2 PHE A 98 2.624 5.782 0.865 1.00 0.00 C ATOM 1509 CE1 PHE A 98 4.734 7.499 1.322 1.00 0.00 C ATOM 1510 CE2 PHE A 98 2.442 7.146 0.738 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.499 8.006 0.966 1.00 0.00 C ATOM 0 H PHE A 98 4.996 1.499 1.365 1.00 0.00 H new ATOM 0 HA PHE A 98 3.791 3.059 -0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.099 3.319 1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.739 3.584 2.179 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.878 5.743 1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.795 5.114 0.685 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.561 8.169 1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.475 7.539 0.461 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.360 9.072 0.866 1.00 0.00 H new ATOM 1521 N ASN A 99 6.881 3.901 0.178 1.00 0.00 N ATOM 1522 CA ASN A 99 8.051 4.650 -0.267 1.00 0.00 C ATOM 1523 C ASN A 99 8.482 4.206 -1.662 1.00 0.00 C ATOM 1524 O ASN A 99 8.769 5.034 -2.527 1.00 0.00 O ATOM 1525 CB ASN A 99 9.206 4.465 0.719 1.00 0.00 C ATOM 1526 CG ASN A 99 8.971 5.193 2.028 1.00 0.00 C ATOM 1527 OD1 ASN A 99 8.236 6.180 2.079 1.00 0.00 O ATOM 1528 ND2 ASN A 99 9.596 4.709 3.095 1.00 0.00 N ATOM 0 H ASN A 99 7.027 3.357 1.028 1.00 0.00 H new ATOM 0 HA ASN A 99 7.783 5.706 -0.307 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.344 3.402 0.917 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.129 4.827 0.266 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.476 5.158 4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 99 10.196 3.889 3.006 1.00 0.00 H new ATOM 1535 N LEU A 100 8.524 2.895 -1.873 1.00 0.00 N ATOM 1536 CA LEU A 100 8.920 2.341 -3.163 1.00 0.00 C ATOM 1537 C LEU A 100 7.905 2.699 -4.244 1.00 0.00 C ATOM 1538 O LEU A 100 8.265 3.216 -5.302 1.00 0.00 O ATOM 1539 CB LEU A 100 9.062 0.821 -3.064 1.00 0.00 C ATOM 1540 CG LEU A 100 9.211 0.073 -4.390 1.00 0.00 C ATOM 1541 CD1 LEU A 100 10.362 0.650 -5.201 1.00 0.00 C ATOM 1542 CD2 LEU A 100 9.422 -1.413 -4.143 1.00 0.00 C ATOM 0 H LEU A 100 8.289 2.196 -1.168 1.00 0.00 H new ATOM 0 HA LEU A 100 9.882 2.773 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.930 0.597 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.189 0.428 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 100 8.292 0.198 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.453 0.106 -6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.169 1.703 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.289 0.555 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.526 -1.929 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.326 -1.559 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.566 -1.817 -3.603 1.00 0.00 H new ATOM 1554 N LEU A 101 6.635 2.422 -3.970 1.00 0.00 N ATOM 1555 CA LEU A 101 5.566 2.717 -4.918 1.00 0.00 C ATOM 1556 C LEU A 101 5.724 4.119 -5.498 1.00 0.00 C ATOM 1557 O LEU A 101 5.653 4.310 -6.711 1.00 0.00 O ATOM 1558 CB LEU A 101 4.202 2.585 -4.237 1.00 0.00 C ATOM 1559 CG LEU A 101 2.999 3.074 -5.044 1.00 0.00 C ATOM 1560 CD1 LEU A 101 2.636 2.066 -6.124 1.00 0.00 C ATOM 1561 CD2 LEU A 101 1.811 3.329 -4.129 1.00 0.00 C ATOM 0 H LEU A 101 6.320 1.994 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 101 5.629 1.997 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.044 1.536 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.232 3.137 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 101 3.267 4.013 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.778 2.431 -6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.483 1.933 -6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.387 1.111 -5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.964 3.676 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.541 2.405 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.075 4.088 -3.393 1.00 0.00 H new ATOM 1573 N GLN A 102 5.941 5.095 -4.622 1.00 0.00 N ATOM 1574 CA GLN A 102 6.111 6.479 -5.048 1.00 0.00 C ATOM 1575 C GLN A 102 7.449 6.671 -5.754 1.00 0.00 C ATOM 1576 O GLN A 102 7.625 7.615 -6.525 1.00 0.00 O ATOM 1577 CB GLN A 102 6.015 7.420 -3.845 1.00 0.00 C ATOM 1578 CG GLN A 102 7.179 7.289 -2.876 1.00 0.00 C ATOM 1579 CD GLN A 102 7.432 8.561 -2.092 1.00 0.00 C ATOM 1580 OE1 GLN A 102 6.730 9.558 -2.261 1.00 0.00 O ATOM 1581 NE2 GLN A 102 8.440 8.534 -1.228 1.00 0.00 N ATOM 0 H GLN A 102 6.003 4.953 -3.614 1.00 0.00 H new ATOM 0 HA GLN A 102 5.313 6.717 -5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.964 8.449 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.085 7.221 -3.312 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.979 6.473 -2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.079 7.023 -3.430 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.996 7.686 -1.120 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.658 9.361 -0.673 1.00 0.00 H new ATOM 1590 N ASP A 103 8.388 5.772 -5.485 1.00 0.00 N ATOM 1591 CA ASP A 103 9.711 5.841 -6.095 1.00 0.00 C ATOM 1592 C ASP A 103 9.668 5.361 -7.542 1.00 0.00 C ATOM 1593 O ASP A 103 10.434 5.828 -8.386 1.00 0.00 O ATOM 1594 CB ASP A 103 10.710 5.003 -5.296 1.00 0.00 C ATOM 1595 CG ASP A 103 12.113 5.573 -5.345 1.00 0.00 C ATOM 1596 OD1 ASP A 103 12.859 5.236 -6.289 1.00 0.00 O ATOM 1597 OD2 ASP A 103 12.467 6.357 -4.439 1.00 0.00 O ATOM 0 H ASP A 103 8.258 4.986 -4.848 1.00 0.00 H new ATOM 0 HA ASP A 103 10.034 6.882 -6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.381 4.943 -4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 103 10.721 3.985 -5.687 1.00 0.00 H new ATOM 1602 N LEU A 104 8.767 4.425 -7.823 1.00 0.00 N ATOM 1603 CA LEU A 104 8.624 3.880 -9.169 1.00 0.00 C ATOM 1604 C LEU A 104 7.732 4.772 -10.026 1.00 0.00 C ATOM 1605 O LEU A 104 8.161 5.288 -11.057 1.00 0.00 O ATOM 1606 CB LEU A 104 8.044 2.466 -9.108 1.00 0.00 C ATOM 1607 CG LEU A 104 8.619 1.550 -8.027 1.00 0.00 C ATOM 1608 CD1 LEU A 104 7.584 0.526 -7.589 1.00 0.00 C ATOM 1609 CD2 LEU A 104 9.877 0.857 -8.530 1.00 0.00 C ATOM 0 H LEU A 104 8.125 4.028 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 104 9.613 3.841 -9.626 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.967 2.543 -8.956 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.196 1.991 -10.077 1.00 0.00 H new ATOM 0 HG LEU A 104 8.884 2.160 -7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.011 -0.117 -6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.710 1.040 -7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.287 -0.080 -8.445 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.273 0.209 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.636 0.259 -9.409 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.624 1.606 -8.794 1.00 0.00 H new ATOM 1621 N MET A 105 6.489 4.951 -9.590 1.00 0.00 N ATOM 1622 CA MET A 105 5.538 5.784 -10.315 1.00 0.00 C ATOM 1623 C MET A 105 6.150 7.138 -10.657 1.00 0.00 C ATOM 1624 O MET A 105 5.819 7.739 -11.678 1.00 0.00 O ATOM 1625 CB MET A 105 4.265 5.980 -9.489 1.00 0.00 C ATOM 1626 CG MET A 105 4.485 6.779 -8.215 1.00 0.00 C ATOM 1627 SD MET A 105 3.083 6.686 -7.085 1.00 0.00 S ATOM 1628 CE MET A 105 1.788 7.404 -8.093 1.00 0.00 C ATOM 0 H MET A 105 6.118 4.530 -8.738 1.00 0.00 H new ATOM 0 HA MET A 105 5.284 5.275 -11.245 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.519 6.486 -10.101 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.856 5.004 -9.230 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.378 6.411 -7.710 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.671 7.822 -8.472 1.00 0.00 H new ATOM 0 HE1 MET A 105 1.150 8.033 -7.472 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.234 8.008 -8.883 1.00 0.00 H new ATOM 0 HE3 MET A 105 1.190 6.609 -8.538 1.00 0.00 H new ATOM 1638 N GLN A 106 7.044 7.613 -9.795 1.00 0.00 N ATOM 1639 CA GLN A 106 7.702 8.897 -10.006 1.00 0.00 C ATOM 1640 C GLN A 106 8.807 8.778 -11.050 1.00 0.00 C ATOM 1641 O GLN A 106 8.944 9.635 -11.924 1.00 0.00 O ATOM 1642 CB GLN A 106 8.282 9.419 -8.690 1.00 0.00 C ATOM 1643 CG GLN A 106 9.512 8.658 -8.223 1.00 0.00 C ATOM 1644 CD GLN A 106 10.117 9.244 -6.962 1.00 0.00 C ATOM 1645 OE1 GLN A 106 9.407 9.775 -6.108 1.00 0.00 O ATOM 1646 NE2 GLN A 106 11.436 9.151 -6.840 1.00 0.00 N ATOM 0 H GLN A 106 7.329 7.128 -8.944 1.00 0.00 H new ATOM 0 HA GLN A 106 6.956 9.603 -10.372 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.539 10.472 -8.808 1.00 0.00 H new ATOM 0 HB3 GLN A 106 7.515 9.363 -7.917 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.244 7.617 -8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.260 8.662 -9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.986 8.702 -7.573 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.900 9.528 -6.013 1.00 0.00 H new ATOM 2022 N PHE A 136 -12.540 -6.090 -0.626 1.00 0.00 N ATOM 2023 CA PHE A 136 -13.421 -5.263 0.191 1.00 0.00 C ATOM 2024 C PHE A 136 -13.080 -3.784 0.031 1.00 0.00 C ATOM 2025 O PHE A 136 -11.938 -3.373 0.241 1.00 0.00 O ATOM 2026 CB PHE A 136 -13.315 -5.667 1.663 1.00 0.00 C ATOM 2027 CG PHE A 136 -14.339 -5.006 2.541 1.00 0.00 C ATOM 2028 CD1 PHE A 136 -14.105 -3.749 3.075 1.00 0.00 C ATOM 2029 CD2 PHE A 136 -15.535 -5.641 2.832 1.00 0.00 C ATOM 2030 CE1 PHE A 136 -15.045 -3.137 3.883 1.00 0.00 C ATOM 2031 CE2 PHE A 136 -16.479 -5.035 3.639 1.00 0.00 C ATOM 2032 CZ PHE A 136 -16.233 -3.782 4.166 1.00 0.00 C ATOM 0 HA PHE A 136 -14.445 -5.421 -0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -13.423 -6.749 1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -12.319 -5.418 2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -13.177 -3.241 2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -15.732 -6.621 2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -14.851 -2.157 4.292 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -17.408 -5.540 3.857 1.00 0.00 H new ATOM 0 HZ PHE A 136 -16.969 -3.307 4.798 1.00 0.00 H new ATOM 2042 N ARG A 137 -14.077 -2.989 -0.341 1.00 0.00 N ATOM 2043 CA ARG A 137 -13.884 -1.557 -0.531 1.00 0.00 C ATOM 2044 C ARG A 137 -14.303 -0.782 0.715 1.00 0.00 C ATOM 2045 O ARG A 137 -15.410 -0.960 1.226 1.00 0.00 O ATOM 2046 CB ARG A 137 -14.681 -1.068 -1.741 1.00 0.00 C ATOM 2047 CG ARG A 137 -14.102 -1.516 -3.073 1.00 0.00 C ATOM 2048 CD ARG A 137 -14.644 -2.876 -3.487 1.00 0.00 C ATOM 2049 NE ARG A 137 -15.979 -2.779 -4.070 1.00 0.00 N ATOM 2050 CZ ARG A 137 -16.235 -2.174 -5.224 1.00 0.00 C ATOM 2051 NH1 ARG A 137 -15.252 -1.615 -5.916 1.00 0.00 N ATOM 2052 NH2 ARG A 137 -17.477 -2.127 -5.689 1.00 0.00 N ATOM 0 H ARG A 137 -15.028 -3.313 -0.517 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.823 -1.380 -0.709 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -15.706 -1.429 -1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -14.724 0.021 -1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -14.340 -0.779 -3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.015 -1.563 -3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -13.966 -3.332 -4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -14.675 -3.534 -2.618 1.00 0.00 H new ATOM 0 HE ARG A 137 -16.758 -3.199 -3.563 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -14.296 -1.649 -5.562 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -15.452 -1.151 -6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -18.236 -2.556 -5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -17.672 -1.662 -6.576 1.00 0.00 H new ATOM 2066 N LEU A 138 -13.413 0.077 1.199 1.00 0.00 N ATOM 2067 CA LEU A 138 -13.691 0.879 2.385 1.00 0.00 C ATOM 2068 C LEU A 138 -14.312 2.219 2.004 1.00 0.00 C ATOM 2069 O LEU A 138 -14.104 2.718 0.897 1.00 0.00 O ATOM 2070 CB LEU A 138 -12.405 1.109 3.182 1.00 0.00 C ATOM 2071 CG LEU A 138 -11.597 -0.143 3.526 1.00 0.00 C ATOM 2072 CD1 LEU A 138 -10.117 0.191 3.635 1.00 0.00 C ATOM 2073 CD2 LEU A 138 -12.102 -0.764 4.820 1.00 0.00 C ATOM 0 H LEU A 138 -12.493 0.236 0.789 1.00 0.00 H new ATOM 0 HA LEU A 138 -14.403 0.332 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -11.766 1.786 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -12.663 1.618 4.111 1.00 0.00 H new ATOM 0 HG LEU A 138 -11.727 -0.869 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.557 -0.712 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.763 0.590 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -9.968 0.934 4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -11.516 -1.654 5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -12.002 -0.044 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -13.150 -1.040 4.706 1.00 0.00 H new ATOM 2085 N ARG A 139 -15.073 2.798 2.927 1.00 0.00 N ATOM 2086 CA ARG A 139 -15.723 4.080 2.688 1.00 0.00 C ATOM 2087 C ARG A 139 -14.829 5.234 3.132 1.00 0.00 C ATOM 2088 O ARG A 139 -14.732 6.256 2.452 1.00 0.00 O ATOM 2089 CB ARG A 139 -17.061 4.144 3.426 1.00 0.00 C ATOM 2090 CG ARG A 139 -18.065 3.103 2.958 1.00 0.00 C ATOM 2091 CD ARG A 139 -19.249 3.004 3.907 1.00 0.00 C ATOM 2092 NE ARG A 139 -18.862 2.472 5.211 1.00 0.00 N ATOM 2093 CZ ARG A 139 -19.691 2.387 6.245 1.00 0.00 C ATOM 2094 NH1 ARG A 139 -20.946 2.797 6.129 1.00 0.00 N ATOM 2095 NH2 ARG A 139 -19.265 1.890 7.399 1.00 0.00 N ATOM 0 H ARG A 139 -15.254 2.399 3.848 1.00 0.00 H new ATOM 0 HA ARG A 139 -15.903 4.173 1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -16.884 4.012 4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -17.492 5.137 3.295 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -18.418 3.360 1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -17.576 2.132 2.883 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -19.694 3.991 4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -20.014 2.364 3.467 1.00 0.00 H new ATOM 0 HE ARG A 139 -17.903 2.148 5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -21.278 3.179 5.243 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -21.580 2.730 6.925 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -18.300 1.573 7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -19.902 1.825 8.193 1.00 0.00 H new ATOM 2109 N HIS A 140 -14.178 5.064 4.279 1.00 0.00 N ATOM 2110 CA HIS A 140 -13.292 6.091 4.814 1.00 0.00 C ATOM 2111 C HIS A 140 -11.846 5.604 4.838 1.00 0.00 C ATOM 2112 O HIS A 140 -11.577 4.444 5.153 1.00 0.00 O ATOM 2113 CB HIS A 140 -13.731 6.489 6.224 1.00 0.00 C ATOM 2114 CG HIS A 140 -13.616 5.379 7.223 1.00 0.00 C ATOM 2115 ND1 HIS A 140 -12.682 5.373 8.237 1.00 0.00 N ATOM 2116 CD2 HIS A 140 -14.326 4.235 7.360 1.00 0.00 C ATOM 2117 CE1 HIS A 140 -12.821 4.272 8.954 1.00 0.00 C ATOM 2118 NE2 HIS A 140 -13.812 3.565 8.443 1.00 0.00 N ATOM 0 H HIS A 140 -14.248 4.225 4.855 1.00 0.00 H new ATOM 0 HA HIS A 140 -13.352 6.963 4.162 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -13.127 7.332 6.559 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -14.765 6.831 6.191 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -15.144 3.910 6.734 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -12.225 3.997 9.812 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -14.142 2.667 8.795 1.00 0.00 H new ATOM 2127 N PHE A 141 -10.920 6.496 4.502 1.00 0.00 N ATOM 2128 CA PHE A 141 -9.502 6.156 4.483 1.00 0.00 C ATOM 2129 C PHE A 141 -8.997 5.854 5.890 1.00 0.00 C ATOM 2130 O PHE A 141 -9.032 6.699 6.785 1.00 0.00 O ATOM 2131 CB PHE A 141 -8.690 7.299 3.871 1.00 0.00 C ATOM 2132 CG PHE A 141 -7.433 6.842 3.187 1.00 0.00 C ATOM 2133 CD1 PHE A 141 -7.474 5.841 2.231 1.00 0.00 C ATOM 2134 CD2 PHE A 141 -6.211 7.415 3.500 1.00 0.00 C ATOM 2135 CE1 PHE A 141 -6.319 5.418 1.601 1.00 0.00 C ATOM 2136 CE2 PHE A 141 -5.053 6.997 2.873 1.00 0.00 C ATOM 2137 CZ PHE A 141 -5.107 5.998 1.921 1.00 0.00 C ATOM 0 H PHE A 141 -11.126 7.460 4.239 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.376 5.263 3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -9.312 7.832 3.152 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.430 8.010 4.655 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -8.419 5.386 1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.163 8.198 4.243 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.364 4.635 0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.107 7.451 3.127 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.204 5.671 1.428 1.00 0.00 H new ATOM 2147 N PRO A 142 -8.514 4.619 6.093 1.00 0.00 N ATOM 2148 CA PRO A 142 -7.991 4.176 7.389 1.00 0.00 C ATOM 2149 C PRO A 142 -6.674 4.855 7.746 1.00 0.00 C ATOM 2150 O PRO A 142 -6.277 4.887 8.911 1.00 0.00 O ATOM 2151 CB PRO A 142 -7.781 2.672 7.192 1.00 0.00 C ATOM 2152 CG PRO A 142 -7.588 2.506 5.724 1.00 0.00 C ATOM 2153 CD PRO A 142 -8.440 3.560 5.072 1.00 0.00 C ATOM 0 HA PRO A 142 -8.668 4.422 8.207 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -6.913 2.317 7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -8.641 2.103 7.545 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.540 2.629 5.452 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -7.887 1.508 5.402 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -7.992 3.924 4.148 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.428 3.177 4.818 1.00 0.00 H new ATOM 2161 N CYS A 143 -6.001 5.397 6.737 1.00 0.00 N ATOM 2162 CA CYS A 143 -4.727 6.077 6.945 1.00 0.00 C ATOM 2163 C CYS A 143 -4.918 7.589 6.987 1.00 0.00 C ATOM 2164 O CYS A 143 -5.973 8.103 6.619 1.00 0.00 O ATOM 2165 CB CYS A 143 -3.741 5.706 5.836 1.00 0.00 C ATOM 2166 SG CYS A 143 -2.899 4.127 6.094 1.00 0.00 S ATOM 0 H CYS A 143 -6.316 5.379 5.767 1.00 0.00 H new ATOM 0 HA CYS A 143 -4.323 5.754 7.904 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -4.275 5.670 4.887 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -2.993 6.494 5.751 1.00 0.00 H new ATOM 0 HG CYS A 143 -2.432 3.694 4.961 1.00 0.00 H new ATOM 2172 N GLY A 144 -3.889 8.298 7.442 1.00 0.00 N ATOM 2173 CA GLY A 144 -3.964 9.745 7.526 1.00 0.00 C ATOM 2174 C GLY A 144 -3.030 10.432 6.550 1.00 0.00 C ATOM 2175 O GLY A 144 -3.431 11.356 5.844 1.00 0.00 O ATOM 0 H GLY A 144 -3.005 7.896 7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -4.988 10.065 7.331 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -3.720 10.060 8.541 1.00 0.00 H new ATOM 2179 N ASN A 145 -1.781 9.981 6.510 1.00 0.00 N ATOM 2180 CA ASN A 145 -0.786 10.560 5.615 1.00 0.00 C ATOM 2181 C ASN A 145 -1.038 10.131 4.172 1.00 0.00 C ATOM 2182 O ASN A 145 -0.666 9.030 3.767 1.00 0.00 O ATOM 2183 CB ASN A 145 0.622 10.144 6.044 1.00 0.00 C ATOM 2184 CG ASN A 145 0.732 9.939 7.543 1.00 0.00 C ATOM 2185 OD1 ASN A 145 1.010 10.878 8.290 1.00 0.00 O ATOM 2186 ND2 ASN A 145 0.516 8.708 7.990 1.00 0.00 N ATOM 0 H ASN A 145 -1.433 9.216 7.088 1.00 0.00 H new ATOM 0 HA ASN A 145 -0.869 11.645 5.673 1.00 0.00 H new ATOM 0 HB2 ASN A 145 0.897 9.222 5.533 1.00 0.00 H new ATOM 0 HB3 ASN A 145 1.335 10.907 5.731 1.00 0.00 H new ATOM 0 HD21 ASN A 145 0.578 8.510 8.989 1.00 0.00 H new ATOM 0 HD22 ASN A 145 0.288 7.960 7.335 1.00 0.00 H new ATOM 2193 N VAL A 146 -1.672 11.009 3.402 1.00 0.00 N ATOM 2194 CA VAL A 146 -1.972 10.723 2.004 1.00 0.00 C ATOM 2195 C VAL A 146 -1.013 11.458 1.074 1.00 0.00 C ATOM 2196 O VAL A 146 -0.647 12.605 1.325 1.00 0.00 O ATOM 2197 CB VAL A 146 -3.418 11.117 1.648 1.00 0.00 C ATOM 2198 CG1 VAL A 146 -3.669 10.938 0.159 1.00 0.00 C ATOM 2199 CG2 VAL A 146 -4.408 10.302 2.466 1.00 0.00 C ATOM 0 H VAL A 146 -1.988 11.924 3.722 1.00 0.00 H new ATOM 0 HA VAL A 146 -1.852 9.648 1.869 1.00 0.00 H new ATOM 0 HB VAL A 146 -3.560 12.170 1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -4.696 11.221 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -2.982 11.569 -0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -3.510 9.895 -0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -5.425 10.593 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -4.268 9.242 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -4.242 10.486 3.527 1.00 0.00 H new ATOM 2209 N ASN A 147 -0.611 10.789 -0.001 1.00 0.00 N ATOM 2210 CA ASN A 147 0.306 11.379 -0.970 1.00 0.00 C ATOM 2211 C ASN A 147 -0.332 11.443 -2.354 1.00 0.00 C ATOM 2212 O ASN A 147 -1.024 10.515 -2.774 1.00 0.00 O ATOM 2213 CB ASN A 147 1.605 10.572 -1.031 1.00 0.00 C ATOM 2214 CG ASN A 147 2.579 11.121 -2.056 1.00 0.00 C ATOM 2215 OD1 ASN A 147 2.351 12.180 -2.640 1.00 0.00 O ATOM 2216 ND2 ASN A 147 3.671 10.400 -2.279 1.00 0.00 N ATOM 0 H ASN A 147 -0.905 9.838 -0.224 1.00 0.00 H new ATOM 0 HA ASN A 147 0.532 12.395 -0.647 1.00 0.00 H new ATOM 0 HB2 ASN A 147 2.077 10.573 -0.048 1.00 0.00 H new ATOM 0 HB3 ASN A 147 1.374 9.534 -1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 147 4.362 10.718 -2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 147 3.819 9.528 -1.771 1.00 0.00 H new ATOM 2223 N TYR A 148 -0.093 12.543 -3.059 1.00 0.00 N ATOM 2224 CA TYR A 148 -0.645 12.729 -4.396 1.00 0.00 C ATOM 2225 C TYR A 148 0.433 12.554 -5.460 1.00 0.00 C ATOM 2226 O TYR A 148 1.502 13.160 -5.384 1.00 0.00 O ATOM 2227 CB TYR A 148 -1.280 14.115 -4.520 1.00 0.00 C ATOM 2228 CG TYR A 148 -2.444 14.335 -3.580 1.00 0.00 C ATOM 2229 CD1 TYR A 148 -3.419 13.360 -3.411 1.00 0.00 C ATOM 2230 CD2 TYR A 148 -2.568 15.517 -2.862 1.00 0.00 C ATOM 2231 CE1 TYR A 148 -4.485 13.556 -2.555 1.00 0.00 C ATOM 2232 CE2 TYR A 148 -3.630 15.722 -2.002 1.00 0.00 C ATOM 2233 CZ TYR A 148 -4.586 14.739 -1.852 1.00 0.00 C ATOM 2234 OH TYR A 148 -5.645 14.938 -0.997 1.00 0.00 O ATOM 0 H TYR A 148 0.479 13.319 -2.727 1.00 0.00 H new ATOM 0 HA TYR A 148 -1.411 11.970 -4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 148 -0.520 14.872 -4.327 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -1.620 14.259 -5.546 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -3.342 12.432 -3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -1.822 16.289 -2.978 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -5.235 12.788 -2.437 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -3.711 16.647 -1.450 1.00 0.00 H new ATOM 0 HH TYR A 148 -5.567 15.821 -0.579 1.00 0.00 H new ATOM 2244 N GLY A 149 0.144 11.720 -6.455 1.00 0.00 N ATOM 2245 CA GLY A 149 1.098 11.479 -7.522 1.00 0.00 C ATOM 2246 C GLY A 149 0.666 12.098 -8.837 1.00 0.00 C ATOM 2247 O GLY A 149 0.651 13.321 -8.980 1.00 0.00 O ATOM 0 H GLY A 149 -0.734 11.207 -6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.069 11.883 -7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.227 10.405 -7.655 1.00 0.00 H new