USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 553 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 38 TYR OH : rot 165:sc= -1.74! USER MOD Set 1.2: A 58 GLN : amide:sc= -7.54! C(o=-9.3!,f=-5.6!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 33 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.203 USER MOD Single : A 46 SER OG : rot -106:sc= 1.21 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.307 USER MOD Single : A 72 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-5.9!) USER MOD Single : A 77 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.000973) USER MOD Single : A 88 SER OG : rot -170:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 9 6.376 -4.413 -6.758 1.00 0.00 N ATOM 82 CA VAL A 9 5.801 -3.158 -6.305 1.00 0.00 C ATOM 83 C VAL A 9 4.816 -2.644 -7.357 1.00 0.00 C ATOM 84 O VAL A 9 4.835 -3.093 -8.502 1.00 0.00 O ATOM 85 CB VAL A 9 6.913 -2.157 -5.987 1.00 0.00 C ATOM 86 CG1 VAL A 9 8.113 -2.857 -5.346 1.00 0.00 C ATOM 87 CG2 VAL A 9 7.333 -1.388 -7.241 1.00 0.00 C ATOM 0 HA VAL A 9 5.242 -3.306 -5.381 1.00 0.00 H new ATOM 0 HB VAL A 9 6.521 -1.437 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.889 -2.123 -5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.801 -3.339 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.505 -3.608 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.125 -0.683 -6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.698 -2.088 -7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.476 -0.844 -7.638 1.00 0.00 H new ATOM 97 N ARG A 10 3.980 -1.708 -6.931 1.00 0.00 N ATOM 98 CA ARG A 10 2.990 -1.128 -7.823 1.00 0.00 C ATOM 99 C ARG A 10 3.093 0.399 -7.808 1.00 0.00 C ATOM 100 O ARG A 10 3.440 0.991 -6.788 1.00 0.00 O ATOM 101 CB ARG A 10 1.574 -1.540 -7.417 1.00 0.00 C ATOM 102 CG ARG A 10 1.379 -1.414 -5.904 1.00 0.00 C ATOM 103 CD ARG A 10 1.276 -2.792 -5.248 1.00 0.00 C ATOM 104 NE ARG A 10 0.072 -3.499 -5.740 1.00 0.00 N ATOM 105 CZ ARG A 10 0.089 -4.433 -6.701 1.00 0.00 C ATOM 106 NH1 ARG A 10 1.248 -4.779 -7.278 1.00 0.00 N ATOM 107 NH2 ARG A 10 -1.052 -5.021 -7.084 1.00 0.00 N ATOM 0 H ARG A 10 3.968 -1.337 -5.981 1.00 0.00 H new ATOM 0 HA ARG A 10 3.190 -1.500 -8.828 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.847 -0.914 -7.934 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.388 -2.568 -7.727 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.213 -0.863 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.476 -0.840 -5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.168 -3.377 -5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.228 -2.685 -4.164 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.827 -3.260 -5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.117 -4.332 -6.986 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.261 -5.490 -8.009 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.934 -4.758 -6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.039 -5.732 -7.815 1.00 0.00 H new ATOM 121 N LEU A 11 2.786 0.992 -8.953 1.00 0.00 N ATOM 122 CA LEU A 11 2.839 2.438 -9.085 1.00 0.00 C ATOM 123 C LEU A 11 1.440 3.017 -8.867 1.00 0.00 C ATOM 124 O LEU A 11 0.591 2.950 -9.754 1.00 0.00 O ATOM 125 CB LEU A 11 3.466 2.831 -10.424 1.00 0.00 C ATOM 126 CG LEU A 11 4.320 1.759 -11.105 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.214 1.044 -10.090 1.00 0.00 C ATOM 128 CD2 LEU A 11 3.446 0.779 -11.890 1.00 0.00 C ATOM 0 H LEU A 11 2.500 0.497 -9.798 1.00 0.00 H new ATOM 0 HA LEU A 11 3.485 2.867 -8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.666 3.118 -11.107 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.084 3.715 -10.268 1.00 0.00 H new ATOM 0 HG LEU A 11 4.977 2.250 -11.823 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.810 0.287 -10.600 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.876 1.768 -9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.594 0.567 -9.331 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.077 0.028 -12.364 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.748 0.290 -11.211 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.889 1.320 -12.655 1.00 0.00 H new ATOM 140 N VAL A 12 1.244 3.575 -7.681 1.00 0.00 N ATOM 141 CA VAL A 12 -0.038 4.166 -7.335 1.00 0.00 C ATOM 142 C VAL A 12 -0.005 5.663 -7.648 1.00 0.00 C ATOM 143 O VAL A 12 1.042 6.300 -7.542 1.00 0.00 O ATOM 144 CB VAL A 12 -0.374 3.868 -5.872 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.562 4.708 -5.401 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.640 2.376 -5.664 1.00 0.00 C ATOM 0 H VAL A 12 1.951 3.630 -6.948 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.836 3.726 -7.934 1.00 0.00 H new ATOM 0 HB VAL A 12 0.490 4.141 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.780 4.477 -4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.319 5.766 -5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.434 4.480 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.876 2.191 -4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.480 2.066 -6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.247 1.806 -5.942 1.00 0.00 H new ATOM 156 N SER A 13 -1.163 6.182 -8.027 1.00 0.00 N ATOM 157 CA SER A 13 -1.280 7.592 -8.356 1.00 0.00 C ATOM 158 C SER A 13 -2.439 8.217 -7.577 1.00 0.00 C ATOM 159 O SER A 13 -3.556 7.701 -7.598 1.00 0.00 O ATOM 160 CB SER A 13 -1.482 7.792 -9.859 1.00 0.00 C ATOM 161 OG SER A 13 -0.730 6.858 -10.628 1.00 0.00 O ATOM 0 H SER A 13 -2.029 5.651 -8.114 1.00 0.00 H new ATOM 0 HA SER A 13 -0.351 8.087 -8.073 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.540 7.690 -10.099 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.189 8.806 -10.132 1.00 0.00 H new ATOM 0 HG SER A 13 -0.888 7.018 -11.582 1.00 0.00 H new ATOM 167 N LEU A 14 -2.135 9.319 -6.908 1.00 0.00 N ATOM 168 CA LEU A 14 -3.137 10.020 -6.123 1.00 0.00 C ATOM 169 C LEU A 14 -3.128 11.503 -6.500 1.00 0.00 C ATOM 170 O LEU A 14 -2.160 12.210 -6.227 1.00 0.00 O ATOM 171 CB LEU A 14 -2.925 9.763 -4.630 1.00 0.00 C ATOM 172 CG LEU A 14 -3.566 8.492 -4.070 1.00 0.00 C ATOM 173 CD1 LEU A 14 -5.076 8.487 -4.314 1.00 0.00 C ATOM 174 CD2 LEU A 14 -2.890 7.241 -4.636 1.00 0.00 C ATOM 0 H LEU A 14 -1.208 9.744 -6.893 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.133 9.639 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.853 9.720 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.315 10.617 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.414 8.480 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.507 7.573 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.527 9.350 -3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.272 8.534 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.365 6.352 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.990 7.233 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.833 7.246 -4.369 1.00 0.00 H new ATOM 315 N LEU A 23 -3.010 12.435 0.231 1.00 0.00 N ATOM 316 CA LEU A 23 -3.303 11.678 -0.974 1.00 0.00 C ATOM 317 C LEU A 23 -4.311 10.574 -0.645 1.00 0.00 C ATOM 318 O LEU A 23 -4.383 9.566 -1.345 1.00 0.00 O ATOM 319 CB LEU A 23 -2.011 11.161 -1.609 1.00 0.00 C ATOM 320 CG LEU A 23 -0.714 11.798 -1.106 1.00 0.00 C ATOM 321 CD1 LEU A 23 0.492 10.914 -1.428 1.00 0.00 C ATOM 322 CD2 LEU A 23 -0.550 13.216 -1.658 1.00 0.00 C ATOM 0 HA LEU A 23 -3.765 12.320 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.953 10.085 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.073 11.313 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.772 11.880 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.401 11.390 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.370 9.943 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.566 10.778 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.380 13.646 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.523 13.182 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.390 13.831 -1.335 1.00 0.00 H new ATOM 334 N GLY A 24 -5.063 10.803 0.422 1.00 0.00 N ATOM 335 CA GLY A 24 -6.063 9.841 0.852 1.00 0.00 C ATOM 336 C GLY A 24 -5.473 8.850 1.857 1.00 0.00 C ATOM 337 O GLY A 24 -6.193 8.306 2.694 1.00 0.00 O ATOM 0 H GLY A 24 -5.000 11.640 1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.906 10.364 1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.449 9.301 -0.013 1.00 0.00 H new ATOM 341 N PHE A 25 -4.170 8.644 1.742 1.00 0.00 N ATOM 342 CA PHE A 25 -3.475 7.728 2.630 1.00 0.00 C ATOM 343 C PHE A 25 -2.389 8.454 3.427 1.00 0.00 C ATOM 344 O PHE A 25 -1.628 9.242 2.869 1.00 0.00 O ATOM 345 CB PHE A 25 -2.819 6.662 1.750 1.00 0.00 C ATOM 346 CG PHE A 25 -1.525 7.123 1.075 1.00 0.00 C ATOM 347 CD1 PHE A 25 -0.338 7.001 1.727 1.00 0.00 C ATOM 348 CD2 PHE A 25 -1.563 7.653 -0.177 1.00 0.00 C ATOM 349 CE1 PHE A 25 0.863 7.429 1.101 1.00 0.00 C ATOM 350 CE2 PHE A 25 -0.362 8.080 -0.803 1.00 0.00 C ATOM 351 CZ PHE A 25 0.825 7.959 -0.151 1.00 0.00 C ATOM 0 H PHE A 25 -3.576 9.096 1.047 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.179 7.293 3.340 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.606 5.783 2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.528 6.353 0.982 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.308 6.579 2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.506 7.749 -0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.806 7.334 1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.391 8.501 -1.797 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.738 8.284 -0.628 1.00 0.00 H new ATOM 361 N SER A 26 -2.352 8.161 4.718 1.00 0.00 N ATOM 362 CA SER A 26 -1.372 8.776 5.597 1.00 0.00 C ATOM 363 C SER A 26 -0.115 7.906 5.670 1.00 0.00 C ATOM 364 O SER A 26 -0.168 6.709 5.391 1.00 0.00 O ATOM 365 CB SER A 26 -1.948 8.995 6.998 1.00 0.00 C ATOM 366 OG SER A 26 -2.081 10.378 7.310 1.00 0.00 O ATOM 0 H SER A 26 -2.985 7.506 5.177 1.00 0.00 H new ATOM 0 HA SER A 26 -1.109 9.750 5.186 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.923 8.512 7.069 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.301 8.518 7.734 1.00 0.00 H new ATOM 0 HG SER A 26 -2.453 10.476 8.211 1.00 0.00 H new ATOM 372 N ILE A 27 0.985 8.541 6.046 1.00 0.00 N ATOM 373 CA ILE A 27 2.252 7.840 6.159 1.00 0.00 C ATOM 374 C ILE A 27 2.738 7.903 7.609 1.00 0.00 C ATOM 375 O ILE A 27 2.196 8.657 8.416 1.00 0.00 O ATOM 376 CB ILE A 27 3.261 8.390 5.149 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.673 9.819 5.508 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.717 8.291 3.722 1.00 0.00 C ATOM 379 CD1 ILE A 27 5.046 10.157 4.923 1.00 0.00 C ATOM 0 H ILE A 27 1.025 9.534 6.276 1.00 0.00 H new ATOM 0 HA ILE A 27 2.127 6.786 5.909 1.00 0.00 H new ATOM 0 HB ILE A 27 4.160 7.775 5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.930 10.521 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.697 9.933 6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.453 8.689 3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.515 7.247 3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.795 8.867 3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.315 11.178 5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.791 9.468 5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.011 10.066 3.837 1.00 0.00 H new ATOM 391 N ARG A 28 3.753 7.101 7.895 1.00 0.00 N ATOM 392 CA ARG A 28 4.317 7.056 9.233 1.00 0.00 C ATOM 393 C ARG A 28 5.796 6.669 9.173 1.00 0.00 C ATOM 394 O ARG A 28 6.308 6.322 8.109 1.00 0.00 O ATOM 395 CB ARG A 28 3.569 6.053 10.113 1.00 0.00 C ATOM 396 CG ARG A 28 3.641 4.644 9.520 1.00 0.00 C ATOM 397 CD ARG A 28 3.421 3.583 10.601 1.00 0.00 C ATOM 398 NE ARG A 28 2.447 4.074 11.601 1.00 0.00 N ATOM 399 CZ ARG A 28 2.203 3.469 12.772 1.00 0.00 C ATOM 400 NH1 ARG A 28 2.860 2.347 13.096 1.00 0.00 N ATOM 401 NH2 ARG A 28 1.302 3.986 13.618 1.00 0.00 N ATOM 0 H ARG A 28 4.199 6.477 7.223 1.00 0.00 H new ATOM 0 HA ARG A 28 4.216 8.050 9.669 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.998 6.052 11.115 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.527 6.357 10.212 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.888 4.535 8.740 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.612 4.493 9.049 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.056 2.661 10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.367 3.347 11.088 1.00 0.00 H new ATOM 0 HE ARG A 28 1.929 4.926 11.386 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.546 1.953 12.452 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.674 1.887 13.987 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.802 4.840 13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.116 3.526 14.509 1.00 0.00 H new ATOM 415 N GLY A 29 6.441 6.741 10.328 1.00 0.00 N ATOM 416 CA GLY A 29 7.851 6.402 10.420 1.00 0.00 C ATOM 417 C GLY A 29 8.728 7.582 9.995 1.00 0.00 C ATOM 418 O GLY A 29 8.489 8.717 10.405 1.00 0.00 O ATOM 0 H GLY A 29 6.013 7.029 11.208 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.093 6.114 11.443 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.063 5.540 9.787 1.00 0.00 H new ATOM 422 N GLY A 30 9.724 7.274 9.178 1.00 0.00 N ATOM 423 CA GLY A 30 10.637 8.294 8.693 1.00 0.00 C ATOM 424 C GLY A 30 12.043 8.087 9.261 1.00 0.00 C ATOM 425 O GLY A 30 12.254 7.214 10.101 1.00 0.00 O ATOM 0 H GLY A 30 9.919 6.332 8.840 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.673 8.266 7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.269 9.280 8.975 1.00 0.00 H new ATOM 429 N SER A 31 12.968 8.905 8.779 1.00 0.00 N ATOM 430 CA SER A 31 14.347 8.822 9.228 1.00 0.00 C ATOM 431 C SER A 31 14.431 9.145 10.721 1.00 0.00 C ATOM 432 O SER A 31 15.396 8.772 11.387 1.00 0.00 O ATOM 433 CB SER A 31 15.244 9.769 8.429 1.00 0.00 C ATOM 434 OG SER A 31 15.350 11.051 9.043 1.00 0.00 O ATOM 0 H SER A 31 12.789 9.628 8.082 1.00 0.00 H new ATOM 0 HA SER A 31 14.700 7.804 9.062 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.237 9.331 8.331 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.845 9.882 7.421 1.00 0.00 H new ATOM 0 HG SER A 31 15.932 11.625 8.503 1.00 0.00 H new ATOM 440 N GLU A 32 13.408 9.835 11.204 1.00 0.00 N ATOM 441 CA GLU A 32 13.354 10.212 12.606 1.00 0.00 C ATOM 442 C GLU A 32 13.147 8.974 13.481 1.00 0.00 C ATOM 443 O GLU A 32 13.525 8.967 14.651 1.00 0.00 O ATOM 444 CB GLU A 32 12.256 11.248 12.853 1.00 0.00 C ATOM 445 CG GLU A 32 10.907 10.755 12.325 1.00 0.00 C ATOM 446 CD GLU A 32 9.751 11.363 13.121 1.00 0.00 C ATOM 447 OE1 GLU A 32 9.789 12.595 13.326 1.00 0.00 O ATOM 448 OE2 GLU A 32 8.855 10.581 13.506 1.00 0.00 O ATOM 0 H GLU A 32 12.610 10.143 10.649 1.00 0.00 H new ATOM 0 HA GLU A 32 14.306 10.669 12.876 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.179 11.454 13.921 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.520 12.186 12.365 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.806 11.018 11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.864 9.668 12.387 1.00 0.00 H new ATOM 455 N HIS A 33 12.547 7.957 12.880 1.00 0.00 N ATOM 456 CA HIS A 33 12.285 6.717 13.590 1.00 0.00 C ATOM 457 C HIS A 33 13.325 5.668 13.192 1.00 0.00 C ATOM 458 O HIS A 33 13.347 4.569 13.744 1.00 0.00 O ATOM 459 CB HIS A 33 10.848 6.247 13.351 1.00 0.00 C ATOM 460 CG HIS A 33 9.902 6.567 14.483 1.00 0.00 C ATOM 461 ND1 HIS A 33 9.268 5.589 15.230 1.00 0.00 N ATOM 462 CD2 HIS A 33 9.489 7.765 14.988 1.00 0.00 C ATOM 463 CE1 HIS A 33 8.510 6.183 16.139 1.00 0.00 C ATOM 464 NE2 HIS A 33 8.648 7.532 15.988 1.00 0.00 N ATOM 0 H HIS A 33 12.235 7.967 11.909 1.00 0.00 H new ATOM 0 HA HIS A 33 12.378 6.882 14.663 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.473 6.707 12.437 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.851 5.169 13.187 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.795 8.738 14.634 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.891 5.687 16.872 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.182 8.244 16.551 1.00 0.00 H new ATOM 472 N GLY A 34 14.162 6.044 12.236 1.00 0.00 N ATOM 473 CA GLY A 34 15.202 5.150 11.757 1.00 0.00 C ATOM 474 C GLY A 34 14.669 4.226 10.661 1.00 0.00 C ATOM 475 O GLY A 34 15.418 3.430 10.096 1.00 0.00 O ATOM 0 H GLY A 34 14.141 6.956 11.780 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.038 5.733 11.371 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.584 4.554 12.586 1.00 0.00 H new ATOM 479 N VAL A 35 13.379 4.361 10.392 1.00 0.00 N ATOM 480 CA VAL A 35 12.737 3.548 9.374 1.00 0.00 C ATOM 481 C VAL A 35 12.491 4.401 8.127 1.00 0.00 C ATOM 482 O VAL A 35 12.904 5.558 8.071 1.00 0.00 O ATOM 483 CB VAL A 35 11.457 2.924 9.933 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.720 2.247 11.279 1.00 0.00 C ATOM 485 CG2 VAL A 35 10.344 3.967 10.051 1.00 0.00 C ATOM 0 H VAL A 35 12.761 5.022 10.862 1.00 0.00 H new ATOM 0 HA VAL A 35 13.384 2.722 9.081 1.00 0.00 H new ATOM 0 HB VAL A 35 11.124 2.158 9.232 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.794 1.812 11.654 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.465 1.461 11.152 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.089 2.985 11.991 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.446 3.497 10.451 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.664 4.766 10.720 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.129 4.382 9.066 1.00 0.00 H new ATOM 495 N GLY A 36 11.820 3.796 7.158 1.00 0.00 N ATOM 496 CA GLY A 36 11.514 4.485 5.916 1.00 0.00 C ATOM 497 C GLY A 36 10.127 5.128 5.973 1.00 0.00 C ATOM 498 O GLY A 36 9.829 5.887 6.894 1.00 0.00 O ATOM 0 H GLY A 36 11.480 2.836 7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.266 5.251 5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.559 3.781 5.085 1.00 0.00 H new ATOM 502 N ILE A 37 9.317 4.802 4.977 1.00 0.00 N ATOM 503 CA ILE A 37 7.969 5.339 4.902 1.00 0.00 C ATOM 504 C ILE A 37 6.985 4.199 4.633 1.00 0.00 C ATOM 505 O ILE A 37 7.087 3.512 3.618 1.00 0.00 O ATOM 506 CB ILE A 37 7.898 6.468 3.872 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.023 7.482 4.092 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.519 7.131 3.879 1.00 0.00 C ATOM 509 CD1 ILE A 37 8.729 8.374 5.300 1.00 0.00 C ATOM 0 H ILE A 37 9.568 4.172 4.215 1.00 0.00 H new ATOM 0 HA ILE A 37 7.685 5.789 5.853 1.00 0.00 H new ATOM 0 HB ILE A 37 8.042 6.037 2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.966 6.957 4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.141 8.098 3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.496 7.930 3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.758 6.389 3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.320 7.547 4.867 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.544 9.085 5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.798 8.916 5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.635 7.757 6.194 1.00 0.00 H new ATOM 521 N TYR A 38 6.053 4.033 5.561 1.00 0.00 N ATOM 522 CA TYR A 38 5.051 2.989 5.436 1.00 0.00 C ATOM 523 C TYR A 38 3.647 3.542 5.688 1.00 0.00 C ATOM 524 O TYR A 38 3.462 4.412 6.539 1.00 0.00 O ATOM 525 CB TYR A 38 5.381 1.957 6.517 1.00 0.00 C ATOM 526 CG TYR A 38 6.669 1.174 6.258 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.890 1.726 6.589 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.611 -0.083 5.692 1.00 0.00 C ATOM 529 CE1 TYR A 38 9.103 0.989 6.345 1.00 0.00 C ATOM 530 CE2 TYR A 38 7.823 -0.820 5.448 1.00 0.00 C ATOM 531 CZ TYR A 38 9.010 -0.248 5.787 1.00 0.00 C ATOM 532 OH TYR A 38 10.155 -0.944 5.556 1.00 0.00 O ATOM 0 H TYR A 38 5.971 4.604 6.402 1.00 0.00 H new ATOM 0 HA TYR A 38 5.064 2.563 4.433 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.464 2.466 7.477 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.552 1.255 6.600 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.936 2.710 7.031 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.656 -0.514 5.432 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.065 1.409 6.599 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.791 -1.805 5.006 1.00 0.00 H new ATOM 0 HH TYR A 38 9.937 -1.884 5.383 1.00 0.00 H new ATOM 542 N VAL A 39 2.694 3.016 4.933 1.00 0.00 N ATOM 543 CA VAL A 39 1.312 3.447 5.064 1.00 0.00 C ATOM 544 C VAL A 39 0.845 3.219 6.503 1.00 0.00 C ATOM 545 O VAL A 39 1.132 2.179 7.095 1.00 0.00 O ATOM 546 CB VAL A 39 0.440 2.730 4.031 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.031 3.121 4.189 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.932 3.009 2.610 1.00 0.00 C ATOM 0 H VAL A 39 2.851 2.295 4.228 1.00 0.00 H new ATOM 0 HA VAL A 39 1.224 4.514 4.859 1.00 0.00 H new ATOM 0 HB VAL A 39 0.522 1.658 4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.629 2.598 3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.375 2.848 5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.138 4.197 4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.295 2.488 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.894 4.081 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.958 2.658 2.505 1.00 0.00 H new ATOM 558 N SER A 40 0.133 4.207 7.024 1.00 0.00 N ATOM 559 CA SER A 40 -0.377 4.126 8.382 1.00 0.00 C ATOM 560 C SER A 40 -1.906 4.073 8.365 1.00 0.00 C ATOM 561 O SER A 40 -2.512 3.301 9.107 1.00 0.00 O ATOM 562 CB SER A 40 0.103 5.312 9.222 1.00 0.00 C ATOM 563 OG SER A 40 -0.640 6.497 8.946 1.00 0.00 O ATOM 0 H SER A 40 -0.103 5.068 6.530 1.00 0.00 H new ATOM 0 HA SER A 40 0.007 3.213 8.837 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.014 5.066 10.280 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.160 5.492 9.024 1.00 0.00 H new ATOM 0 HG SER A 40 -0.305 7.230 9.503 1.00 0.00 H new ATOM 569 N LEU A 41 -2.486 4.903 7.510 1.00 0.00 N ATOM 570 CA LEU A 41 -3.933 4.959 7.387 1.00 0.00 C ATOM 571 C LEU A 41 -4.310 5.063 5.908 1.00 0.00 C ATOM 572 O LEU A 41 -3.564 5.629 5.111 1.00 0.00 O ATOM 573 CB LEU A 41 -4.500 6.090 8.247 1.00 0.00 C ATOM 574 CG LEU A 41 -6.024 6.227 8.256 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.494 7.040 9.463 1.00 0.00 C ATOM 576 CD2 LEU A 41 -6.529 6.815 6.937 1.00 0.00 C ATOM 0 H LEU A 41 -1.980 5.542 6.896 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.384 4.043 7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.162 5.944 9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.073 7.031 7.902 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.456 5.231 8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.581 7.122 9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.183 6.542 10.381 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.054 8.036 9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.615 6.902 6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.090 7.801 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.242 6.161 6.114 1.00 0.00 H new ATOM 588 N VAL A 42 -5.469 4.507 5.586 1.00 0.00 N ATOM 589 CA VAL A 42 -5.955 4.530 4.216 1.00 0.00 C ATOM 590 C VAL A 42 -7.446 4.875 4.214 1.00 0.00 C ATOM 591 O VAL A 42 -8.254 4.151 4.793 1.00 0.00 O ATOM 592 CB VAL A 42 -5.648 3.198 3.530 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.541 2.994 2.304 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.169 3.103 3.153 1.00 0.00 C ATOM 0 H VAL A 42 -6.086 4.038 6.250 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.443 5.302 3.641 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.864 2.399 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.302 2.040 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.587 2.996 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.371 3.801 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.978 2.146 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.915 3.914 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.558 3.181 4.053 1.00 0.00 H new ATOM 604 N GLU A 43 -7.764 5.980 3.557 1.00 0.00 N ATOM 605 CA GLU A 43 -9.143 6.429 3.472 1.00 0.00 C ATOM 606 C GLU A 43 -9.971 5.447 2.641 1.00 0.00 C ATOM 607 O GLU A 43 -9.505 4.945 1.620 1.00 0.00 O ATOM 608 CB GLU A 43 -9.225 7.843 2.892 1.00 0.00 C ATOM 609 CG GLU A 43 -8.786 8.885 3.923 1.00 0.00 C ATOM 610 CD GLU A 43 -9.896 9.906 4.176 1.00 0.00 C ATOM 611 OE1 GLU A 43 -11.071 9.479 4.178 1.00 0.00 O ATOM 612 OE2 GLU A 43 -9.545 11.091 4.363 1.00 0.00 O ATOM 0 H GLU A 43 -7.090 6.578 3.078 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.557 6.461 4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.593 7.914 2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.246 8.050 2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.523 8.389 4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.890 9.396 3.570 1.00 0.00 H new ATOM 619 N PRO A 44 -11.218 5.195 3.123 1.00 0.00 N ATOM 620 CA PRO A 44 -12.115 4.282 2.436 1.00 0.00 C ATOM 621 C PRO A 44 -12.695 4.927 1.175 1.00 0.00 C ATOM 622 O PRO A 44 -12.598 6.140 0.993 1.00 0.00 O ATOM 623 CB PRO A 44 -13.178 3.927 3.463 1.00 0.00 C ATOM 624 CG PRO A 44 -13.102 5.006 4.531 1.00 0.00 C ATOM 625 CD PRO A 44 -11.804 5.771 4.329 1.00 0.00 C ATOM 0 HA PRO A 44 -11.609 3.385 2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.168 3.898 3.007 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.995 2.941 3.890 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.957 5.678 4.456 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.132 4.561 5.526 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.988 6.839 4.209 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.140 5.657 5.186 1.00 0.00 H new ATOM 633 N GLY A 45 -13.285 4.087 0.337 1.00 0.00 N ATOM 634 CA GLY A 45 -13.880 4.560 -0.901 1.00 0.00 C ATOM 635 C GLY A 45 -13.029 5.665 -1.531 1.00 0.00 C ATOM 636 O GLY A 45 -13.553 6.544 -2.214 1.00 0.00 O ATOM 0 H GLY A 45 -13.364 3.082 0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.981 3.730 -1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.884 4.936 -0.706 1.00 0.00 H new ATOM 640 N SER A 46 -11.731 5.583 -1.280 1.00 0.00 N ATOM 641 CA SER A 46 -10.802 6.565 -1.814 1.00 0.00 C ATOM 642 C SER A 46 -10.115 6.009 -3.063 1.00 0.00 C ATOM 643 O SER A 46 -10.248 4.827 -3.375 1.00 0.00 O ATOM 644 CB SER A 46 -9.760 6.964 -0.768 1.00 0.00 C ATOM 645 OG SER A 46 -8.656 6.062 -0.743 1.00 0.00 O ATOM 0 H SER A 46 -11.300 4.852 -0.714 1.00 0.00 H new ATOM 0 HA SER A 46 -11.366 7.458 -2.084 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.401 7.971 -0.980 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.227 6.993 0.216 1.00 0.00 H new ATOM 0 HG SER A 46 -8.711 5.500 0.058 1.00 0.00 H new ATOM 651 N LEU A 47 -9.395 6.889 -3.744 1.00 0.00 N ATOM 652 CA LEU A 47 -8.687 6.501 -4.953 1.00 0.00 C ATOM 653 C LEU A 47 -7.509 5.598 -4.580 1.00 0.00 C ATOM 654 O LEU A 47 -7.323 4.538 -5.176 1.00 0.00 O ATOM 655 CB LEU A 47 -8.283 7.738 -5.757 1.00 0.00 C ATOM 656 CG LEU A 47 -7.514 7.473 -7.053 1.00 0.00 C ATOM 657 CD1 LEU A 47 -8.040 6.221 -7.757 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.543 8.700 -7.968 1.00 0.00 C ATOM 0 H LEU A 47 -9.287 7.869 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.339 5.923 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.185 8.299 -6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.673 8.378 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.471 7.285 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.476 6.056 -8.675 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.925 5.359 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.095 6.355 -7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.989 8.485 -8.882 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.576 8.943 -8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.085 9.546 -7.456 1.00 0.00 H new ATOM 670 N ALA A 48 -6.745 6.051 -3.598 1.00 0.00 N ATOM 671 CA ALA A 48 -5.590 5.298 -3.139 1.00 0.00 C ATOM 672 C ALA A 48 -6.000 3.845 -2.893 1.00 0.00 C ATOM 673 O ALA A 48 -5.411 2.925 -3.459 1.00 0.00 O ATOM 674 CB ALA A 48 -5.012 5.961 -1.888 1.00 0.00 C ATOM 0 H ALA A 48 -6.903 6.931 -3.107 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.807 5.296 -3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.146 5.396 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.709 6.981 -2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.768 5.979 -1.103 1.00 0.00 H new ATOM 680 N GLU A 49 -7.007 3.683 -2.047 1.00 0.00 N ATOM 681 CA GLU A 49 -7.503 2.357 -1.719 1.00 0.00 C ATOM 682 C GLU A 49 -7.939 1.624 -2.989 1.00 0.00 C ATOM 683 O GLU A 49 -7.796 0.406 -3.087 1.00 0.00 O ATOM 684 CB GLU A 49 -8.650 2.435 -0.710 1.00 0.00 C ATOM 685 CG GLU A 49 -9.387 1.097 -0.613 1.00 0.00 C ATOM 686 CD GLU A 49 -10.512 1.015 -1.647 1.00 0.00 C ATOM 687 OE1 GLU A 49 -11.266 2.008 -1.746 1.00 0.00 O ATOM 688 OE2 GLU A 49 -10.592 -0.037 -2.316 1.00 0.00 O ATOM 0 H GLU A 49 -7.493 4.448 -1.579 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.694 1.792 -1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.259 2.711 0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.348 3.218 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.684 0.278 -0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.799 0.977 0.389 1.00 0.00 H new ATOM 695 N LYS A 50 -8.462 2.396 -3.930 1.00 0.00 N ATOM 696 CA LYS A 50 -8.920 1.835 -5.190 1.00 0.00 C ATOM 697 C LYS A 50 -7.709 1.446 -6.040 1.00 0.00 C ATOM 698 O LYS A 50 -7.765 0.484 -6.804 1.00 0.00 O ATOM 699 CB LYS A 50 -9.877 2.802 -5.890 1.00 0.00 C ATOM 700 CG LYS A 50 -11.294 2.673 -5.328 1.00 0.00 C ATOM 701 CD LYS A 50 -12.158 3.866 -5.740 1.00 0.00 C ATOM 702 CE LYS A 50 -12.683 3.698 -7.167 1.00 0.00 C ATOM 703 NZ LYS A 50 -13.161 4.993 -7.700 1.00 0.00 N ATOM 0 H LYS A 50 -8.579 3.406 -3.845 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.494 0.925 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.523 3.825 -5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.887 2.599 -6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.748 1.749 -5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.253 2.607 -4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.996 3.968 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.574 4.784 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.894 3.304 -7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.495 2.971 -7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.514 4.860 -8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.929 5.354 -7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.377 5.676 -7.707 1.00 0.00 H new ATOM 717 N GLU A 51 -6.641 2.214 -5.879 1.00 0.00 N ATOM 718 CA GLU A 51 -5.418 1.961 -6.622 1.00 0.00 C ATOM 719 C GLU A 51 -4.750 0.678 -6.124 1.00 0.00 C ATOM 720 O GLU A 51 -3.954 0.071 -6.839 1.00 0.00 O ATOM 721 CB GLU A 51 -4.461 3.151 -6.523 1.00 0.00 C ATOM 722 CG GLU A 51 -4.997 4.352 -7.306 1.00 0.00 C ATOM 723 CD GLU A 51 -5.200 3.999 -8.781 1.00 0.00 C ATOM 724 OE1 GLU A 51 -4.173 3.885 -9.483 1.00 0.00 O ATOM 725 OE2 GLU A 51 -6.378 3.851 -9.172 1.00 0.00 O ATOM 0 H GLU A 51 -6.597 3.012 -5.245 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.675 1.829 -7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.324 3.426 -5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.482 2.868 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.942 4.680 -6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.301 5.186 -7.221 1.00 0.00 H new ATOM 732 N GLY A 52 -5.098 0.303 -4.902 1.00 0.00 N ATOM 733 CA GLY A 52 -4.542 -0.897 -4.300 1.00 0.00 C ATOM 734 C GLY A 52 -3.930 -0.592 -2.932 1.00 0.00 C ATOM 735 O GLY A 52 -3.770 -1.488 -2.105 1.00 0.00 O ATOM 0 H GLY A 52 -5.758 0.809 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.323 -1.650 -4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.781 -1.318 -4.957 1.00 0.00 H new ATOM 739 N LEU A 53 -3.605 0.678 -2.735 1.00 0.00 N ATOM 740 CA LEU A 53 -3.014 1.113 -1.480 1.00 0.00 C ATOM 741 C LEU A 53 -3.774 0.475 -0.316 1.00 0.00 C ATOM 742 O LEU A 53 -4.864 -0.065 -0.502 1.00 0.00 O ATOM 743 CB LEU A 53 -2.958 2.640 -1.416 1.00 0.00 C ATOM 744 CG LEU A 53 -1.618 3.245 -0.993 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.643 3.294 -2.170 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.815 4.622 -0.355 1.00 0.00 C ATOM 0 H LEU A 53 -3.740 1.419 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.980 0.776 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.218 3.035 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.724 2.983 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.176 2.599 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.301 3.728 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.469 2.284 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.066 3.905 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.847 5.030 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.289 5.291 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.449 4.527 0.526 1.00 0.00 H new ATOM 758 N ARG A 54 -3.169 0.559 0.860 1.00 0.00 N ATOM 759 CA ARG A 54 -3.776 -0.003 2.055 1.00 0.00 C ATOM 760 C ARG A 54 -2.744 -0.093 3.182 1.00 0.00 C ATOM 761 O ARG A 54 -1.597 -0.474 2.949 1.00 0.00 O ATOM 762 CB ARG A 54 -4.345 -1.396 1.781 1.00 0.00 C ATOM 763 CG ARG A 54 -5.874 -1.378 1.805 1.00 0.00 C ATOM 764 CD ARG A 54 -6.405 -1.712 3.201 1.00 0.00 C ATOM 765 NE ARG A 54 -6.860 -3.120 3.247 1.00 0.00 N ATOM 766 CZ ARG A 54 -7.636 -3.627 4.213 1.00 0.00 C ATOM 767 NH1 ARG A 54 -8.050 -2.846 5.220 1.00 0.00 N ATOM 768 NH2 ARG A 54 -8.000 -4.916 4.173 1.00 0.00 N ATOM 0 H ARG A 54 -2.265 1.007 1.011 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.590 0.656 2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.997 -1.750 0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.974 -2.098 2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.234 -0.395 1.501 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.261 -2.097 1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.625 -1.549 3.944 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.230 -1.046 3.454 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.564 -3.743 2.496 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.774 -1.865 5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.641 -3.233 5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.686 -5.511 3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.591 -5.302 4.909 1.00 0.00 H new ATOM 782 N VAL A 55 -3.188 0.264 4.378 1.00 0.00 N ATOM 783 CA VAL A 55 -2.317 0.228 5.541 1.00 0.00 C ATOM 784 C VAL A 55 -1.514 -1.074 5.531 1.00 0.00 C ATOM 785 O VAL A 55 -2.071 -2.153 5.732 1.00 0.00 O ATOM 786 CB VAL A 55 -3.141 0.413 6.817 1.00 0.00 C ATOM 787 CG1 VAL A 55 -2.325 0.035 8.055 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.671 1.844 6.925 1.00 0.00 C ATOM 0 H VAL A 55 -4.139 0.580 4.567 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.602 1.051 5.509 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.998 -0.258 6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.933 0.175 8.949 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.019 -1.009 7.984 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.440 0.669 8.115 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.253 1.948 7.841 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.834 2.542 6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.304 2.063 6.065 1.00 0.00 H new ATOM 798 N GLY A 56 -0.218 -0.931 5.295 1.00 0.00 N ATOM 799 CA GLY A 56 0.667 -2.082 5.257 1.00 0.00 C ATOM 800 C GLY A 56 1.762 -1.897 4.204 1.00 0.00 C ATOM 801 O GLY A 56 2.918 -2.249 4.436 1.00 0.00 O ATOM 0 H GLY A 56 0.240 -0.035 5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.121 -2.229 6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.092 -2.981 5.035 1.00 0.00 H new ATOM 805 N ASP A 57 1.359 -1.346 3.068 1.00 0.00 N ATOM 806 CA ASP A 57 2.291 -1.110 1.979 1.00 0.00 C ATOM 807 C ASP A 57 3.479 -0.297 2.497 1.00 0.00 C ATOM 808 O ASP A 57 3.466 0.172 3.634 1.00 0.00 O ATOM 809 CB ASP A 57 1.630 -0.315 0.851 1.00 0.00 C ATOM 810 CG ASP A 57 0.341 -0.925 0.299 1.00 0.00 C ATOM 811 OD1 ASP A 57 0.342 -2.157 0.087 1.00 0.00 O ATOM 812 OD2 ASP A 57 -0.616 -0.146 0.101 1.00 0.00 O ATOM 0 H ASP A 57 0.400 -1.056 2.879 1.00 0.00 H new ATOM 0 HA ASP A 57 2.615 -2.078 1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.412 0.689 1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.344 -0.211 0.034 1.00 0.00 H new ATOM 817 N GLN A 58 4.479 -0.157 1.639 1.00 0.00 N ATOM 818 CA GLN A 58 5.672 0.591 1.995 1.00 0.00 C ATOM 819 C GLN A 58 6.097 1.497 0.838 1.00 0.00 C ATOM 820 O GLN A 58 6.410 1.015 -0.250 1.00 0.00 O ATOM 821 CB GLN A 58 6.808 -0.351 2.400 1.00 0.00 C ATOM 822 CG GLN A 58 8.038 0.438 2.856 1.00 0.00 C ATOM 823 CD GLN A 58 9.271 -0.466 2.934 1.00 0.00 C ATOM 824 OE1 GLN A 58 9.217 -1.656 2.672 1.00 0.00 O ATOM 825 NE2 GLN A 58 10.380 0.165 3.307 1.00 0.00 N ATOM 0 H GLN A 58 4.487 -0.549 0.698 1.00 0.00 H new ATOM 0 HA GLN A 58 5.440 1.219 2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.473 -1.006 3.204 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.073 -0.990 1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.227 1.257 2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.847 0.884 3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.354 1.164 3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.257 -0.350 3.389 1.00 0.00 H new ATOM 834 N ILE A 59 6.094 2.793 1.112 1.00 0.00 N ATOM 835 CA ILE A 59 6.475 3.771 0.107 1.00 0.00 C ATOM 836 C ILE A 59 7.986 3.695 -0.125 1.00 0.00 C ATOM 837 O ILE A 59 8.770 4.080 0.740 1.00 0.00 O ATOM 838 CB ILE A 59 5.983 5.165 0.501 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.505 5.133 0.896 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.257 6.179 -0.612 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.616 4.882 -0.324 1.00 0.00 C ATOM 0 H ILE A 59 5.834 3.189 2.015 1.00 0.00 H new ATOM 0 HA ILE A 59 5.994 3.546 -0.845 1.00 0.00 H new ATOM 0 HB ILE A 59 6.544 5.490 1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.340 4.351 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.229 6.079 1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.897 7.161 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.329 6.228 -0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.740 5.870 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.571 4.864 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.765 5.678 -1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.878 3.924 -0.774 1.00 0.00 H new ATOM 853 N LEU A 60 8.348 3.197 -1.298 1.00 0.00 N ATOM 854 CA LEU A 60 9.750 3.066 -1.655 1.00 0.00 C ATOM 855 C LEU A 60 10.199 4.319 -2.410 1.00 0.00 C ATOM 856 O LEU A 60 11.366 4.702 -2.345 1.00 0.00 O ATOM 857 CB LEU A 60 9.988 1.765 -2.425 1.00 0.00 C ATOM 858 CG LEU A 60 9.304 0.518 -1.862 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.250 -0.597 -2.909 1.00 0.00 C ATOM 860 CD2 LEU A 60 9.981 0.058 -0.569 1.00 0.00 C ATOM 0 H LEU A 60 7.694 2.879 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 60 10.366 2.996 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.652 1.907 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.062 1.580 -2.464 1.00 0.00 H new ATOM 0 HG LEU A 60 8.275 0.776 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.759 -1.472 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.689 -0.253 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.263 -0.861 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.475 -0.830 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.026 -0.177 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.924 0.853 0.174 1.00 0.00 H new ATOM 872 N ARG A 61 9.249 4.922 -3.108 1.00 0.00 N ATOM 873 CA ARG A 61 9.532 6.123 -3.875 1.00 0.00 C ATOM 874 C ARG A 61 8.292 7.017 -3.938 1.00 0.00 C ATOM 875 O ARG A 61 7.172 6.546 -3.746 1.00 0.00 O ATOM 876 CB ARG A 61 9.975 5.778 -5.298 1.00 0.00 C ATOM 877 CG ARG A 61 11.495 5.611 -5.373 1.00 0.00 C ATOM 878 CD ARG A 61 11.903 4.885 -6.657 1.00 0.00 C ATOM 879 NE ARG A 61 12.061 3.438 -6.391 1.00 0.00 N ATOM 880 CZ ARG A 61 12.318 2.524 -7.337 1.00 0.00 C ATOM 881 NH1 ARG A 61 12.448 2.903 -8.616 1.00 0.00 N ATOM 882 NH2 ARG A 61 12.445 1.233 -7.005 1.00 0.00 N ATOM 0 H ARG A 61 8.282 4.601 -3.159 1.00 0.00 H new ATOM 0 HA ARG A 61 10.342 6.652 -3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.488 4.858 -5.622 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.658 6.565 -5.983 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.974 6.589 -5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.846 5.051 -4.507 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.149 5.041 -7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.838 5.298 -7.037 1.00 0.00 H new ATOM 0 HE ARG A 61 11.969 3.116 -5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.351 3.886 -8.869 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.644 2.208 -9.336 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.346 0.945 -6.032 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.641 0.538 -7.725 1.00 0.00 H new ATOM 896 N VAL A 62 8.533 8.292 -4.207 1.00 0.00 N ATOM 897 CA VAL A 62 7.450 9.256 -4.298 1.00 0.00 C ATOM 898 C VAL A 62 7.766 10.269 -5.400 1.00 0.00 C ATOM 899 O VAL A 62 8.671 11.089 -5.254 1.00 0.00 O ATOM 900 CB VAL A 62 7.216 9.910 -2.934 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.317 10.923 -2.615 1.00 0.00 C ATOM 902 CG2 VAL A 62 5.834 10.563 -2.870 1.00 0.00 C ATOM 0 H VAL A 62 9.463 8.680 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 62 6.518 8.760 -4.570 1.00 0.00 H new ATOM 0 HB VAL A 62 7.252 9.127 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.126 11.373 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.283 10.418 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.328 11.701 -3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.693 11.020 -1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.757 11.328 -3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.066 9.806 -3.031 1.00 0.00 H new ATOM 912 N ASN A 63 7.002 10.179 -6.479 1.00 0.00 N ATOM 913 CA ASN A 63 7.188 11.078 -7.605 1.00 0.00 C ATOM 914 C ASN A 63 8.337 10.565 -8.476 1.00 0.00 C ATOM 915 O ASN A 63 8.155 10.321 -9.668 1.00 0.00 O ATOM 916 CB ASN A 63 7.548 12.488 -7.131 1.00 0.00 C ATOM 917 CG ASN A 63 6.823 13.547 -7.964 1.00 0.00 C ATOM 918 OD1 ASN A 63 7.031 13.684 -9.159 1.00 0.00 O ATOM 919 ND2 ASN A 63 5.964 14.287 -7.269 1.00 0.00 N ATOM 0 H ASN A 63 6.253 9.497 -6.597 1.00 0.00 H new ATOM 0 HA ASN A 63 6.254 11.114 -8.166 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.282 12.602 -6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.625 12.637 -7.205 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.431 15.022 -7.734 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.838 14.120 -6.271 1.00 0.00 H new ATOM 926 N ASP A 64 9.493 10.416 -7.848 1.00 0.00 N ATOM 927 CA ASP A 64 10.671 9.937 -8.551 1.00 0.00 C ATOM 928 C ASP A 64 11.765 9.602 -7.535 1.00 0.00 C ATOM 929 O ASP A 64 12.385 8.542 -7.612 1.00 0.00 O ATOM 930 CB ASP A 64 11.219 11.004 -9.500 1.00 0.00 C ATOM 931 CG ASP A 64 12.535 10.642 -10.191 1.00 0.00 C ATOM 932 OD1 ASP A 64 13.579 10.739 -9.510 1.00 0.00 O ATOM 933 OD2 ASP A 64 12.468 10.275 -11.384 1.00 0.00 O ATOM 0 H ASP A 64 9.640 10.619 -6.859 1.00 0.00 H new ATOM 0 HA ASP A 64 10.385 9.056 -9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.469 11.208 -10.264 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.363 11.928 -8.939 1.00 0.00 H new ATOM 938 N LYS A 65 11.968 10.524 -6.606 1.00 0.00 N ATOM 939 CA LYS A 65 12.976 10.340 -5.576 1.00 0.00 C ATOM 940 C LYS A 65 12.547 9.203 -4.646 1.00 0.00 C ATOM 941 O LYS A 65 11.370 8.851 -4.593 1.00 0.00 O ATOM 942 CB LYS A 65 13.248 11.659 -4.850 1.00 0.00 C ATOM 943 CG LYS A 65 13.944 12.660 -5.774 1.00 0.00 C ATOM 944 CD LYS A 65 15.395 12.887 -5.345 1.00 0.00 C ATOM 945 CE LYS A 65 16.216 13.490 -6.486 1.00 0.00 C ATOM 946 NZ LYS A 65 17.423 14.164 -5.956 1.00 0.00 N ATOM 0 H LYS A 65 11.451 11.401 -6.545 1.00 0.00 H new ATOM 0 HA LYS A 65 13.927 10.047 -6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.309 12.081 -4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.870 11.474 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.918 12.292 -6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.405 13.607 -5.761 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.423 13.552 -4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.838 11.941 -5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.507 12.707 -7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.608 14.204 -7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.969 14.568 -6.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.139 14.924 -5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.010 13.474 -5.446 1.00 0.00 H new ATOM 960 N SER A 66 13.526 8.661 -3.936 1.00 0.00 N ATOM 961 CA SER A 66 13.264 7.571 -3.011 1.00 0.00 C ATOM 962 C SER A 66 13.334 8.080 -1.570 1.00 0.00 C ATOM 963 O SER A 66 14.199 8.888 -1.234 1.00 0.00 O ATOM 964 CB SER A 66 14.255 6.424 -3.217 1.00 0.00 C ATOM 965 OG SER A 66 15.545 6.732 -2.696 1.00 0.00 O ATOM 0 H SER A 66 14.501 8.956 -3.983 1.00 0.00 H new ATOM 0 HA SER A 66 12.262 7.189 -3.207 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.874 5.525 -2.733 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.337 6.203 -4.281 1.00 0.00 H new ATOM 0 HG SER A 66 16.148 5.974 -2.846 1.00 0.00 H new ATOM 971 N LEU A 67 12.412 7.586 -0.756 1.00 0.00 N ATOM 972 CA LEU A 67 12.359 7.981 0.641 1.00 0.00 C ATOM 973 C LEU A 67 13.077 6.931 1.491 1.00 0.00 C ATOM 974 O LEU A 67 12.584 6.540 2.549 1.00 0.00 O ATOM 975 CB LEU A 67 10.912 8.236 1.071 1.00 0.00 C ATOM 976 CG LEU A 67 10.058 9.052 0.099 1.00 0.00 C ATOM 977 CD1 LEU A 67 8.579 8.995 0.488 1.00 0.00 C ATOM 978 CD2 LEU A 67 10.569 10.491 -0.005 1.00 0.00 C ATOM 0 H LEU A 67 11.696 6.916 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 67 12.883 8.925 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.426 7.273 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.925 8.750 2.032 1.00 0.00 H new ATOM 0 HG LEU A 67 10.148 8.606 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.994 9.583 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.237 7.960 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.451 9.401 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.944 11.049 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.529 10.963 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.598 10.487 -0.363 1.00 0.00 H new ATOM 990 N ALA A 68 14.229 6.503 0.997 1.00 0.00 N ATOM 991 CA ALA A 68 15.020 5.506 1.698 1.00 0.00 C ATOM 992 C ALA A 68 14.996 5.805 3.199 1.00 0.00 C ATOM 993 O ALA A 68 14.537 4.984 3.991 1.00 0.00 O ATOM 994 CB ALA A 68 16.440 5.488 1.130 1.00 0.00 C ATOM 0 H ALA A 68 14.634 6.828 0.119 1.00 0.00 H new ATOM 0 HA ALA A 68 14.599 4.511 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.033 4.740 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.404 5.242 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.896 6.469 1.260 1.00 0.00 H new ATOM 1000 N ARG A 69 15.496 6.982 3.543 1.00 0.00 N ATOM 1001 CA ARG A 69 15.538 7.399 4.934 1.00 0.00 C ATOM 1002 C ARG A 69 15.514 8.926 5.032 1.00 0.00 C ATOM 1003 O ARG A 69 16.559 9.572 4.977 1.00 0.00 O ATOM 1004 CB ARG A 69 16.793 6.871 5.631 1.00 0.00 C ATOM 1005 CG ARG A 69 16.427 5.945 6.793 1.00 0.00 C ATOM 1006 CD ARG A 69 17.660 5.205 7.315 1.00 0.00 C ATOM 1007 NE ARG A 69 18.113 5.811 8.587 1.00 0.00 N ATOM 1008 CZ ARG A 69 19.349 5.673 9.086 1.00 0.00 C ATOM 1009 NH1 ARG A 69 20.263 4.951 8.424 1.00 0.00 N ATOM 1010 NH2 ARG A 69 19.672 6.258 10.248 1.00 0.00 N ATOM 0 H ARG A 69 15.876 7.660 2.883 1.00 0.00 H new ATOM 0 HA ARG A 69 14.660 6.985 5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.412 6.333 4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.387 7.707 6.001 1.00 0.00 H new ATOM 0 HG2 ARG A 69 15.980 6.527 7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.678 5.224 6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.425 4.152 7.468 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.460 5.249 6.576 1.00 0.00 H new ATOM 0 HE ARG A 69 17.443 6.368 9.117 1.00 0.00 H new ATOM 0 HH11 ARG A 69 20.018 4.506 7.539 1.00 0.00 H new ATOM 0 HH12 ARG A 69 21.204 4.846 8.805 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.977 6.808 10.753 1.00 0.00 H new ATOM 0 HH22 ARG A 69 20.613 6.153 10.628 1.00 0.00 H new ATOM 1024 N VAL A 70 14.309 9.459 5.174 1.00 0.00 N ATOM 1025 CA VAL A 70 14.135 10.898 5.279 1.00 0.00 C ATOM 1026 C VAL A 70 13.132 11.206 6.392 1.00 0.00 C ATOM 1027 O VAL A 70 12.280 10.378 6.711 1.00 0.00 O ATOM 1028 CB VAL A 70 13.721 11.476 3.924 1.00 0.00 C ATOM 1029 CG1 VAL A 70 14.791 11.206 2.863 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.363 10.925 3.485 1.00 0.00 C ATOM 0 H VAL A 70 13.444 8.920 5.219 1.00 0.00 H new ATOM 0 HA VAL A 70 15.076 11.378 5.548 1.00 0.00 H new ATOM 0 HB VAL A 70 13.624 12.556 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.472 11.627 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.730 11.668 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.934 10.131 2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.092 11.352 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.421 9.840 3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.607 11.190 4.224 1.00 0.00 H new ATOM 1040 N THR A 71 13.265 12.399 6.952 1.00 0.00 N ATOM 1041 CA THR A 71 12.381 12.827 8.022 1.00 0.00 C ATOM 1042 C THR A 71 10.930 12.851 7.537 1.00 0.00 C ATOM 1043 O THR A 71 10.663 13.171 6.380 1.00 0.00 O ATOM 1044 CB THR A 71 12.874 14.183 8.530 1.00 0.00 C ATOM 1045 OG1 THR A 71 12.594 15.079 7.457 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.397 14.237 8.672 1.00 0.00 C ATOM 0 H THR A 71 13.973 13.083 6.684 1.00 0.00 H new ATOM 0 HA THR A 71 12.401 12.125 8.856 1.00 0.00 H new ATOM 0 HB THR A 71 12.412 14.399 9.493 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.881 15.983 7.703 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.694 15.221 9.036 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.724 13.475 9.379 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.860 14.054 7.702 1.00 0.00 H new ATOM 1054 N HIS A 72 10.030 12.509 8.448 1.00 0.00 N ATOM 1055 CA HIS A 72 8.612 12.487 8.127 1.00 0.00 C ATOM 1056 C HIS A 72 8.246 13.744 7.336 1.00 0.00 C ATOM 1057 O HIS A 72 7.323 13.723 6.523 1.00 0.00 O ATOM 1058 CB HIS A 72 7.772 12.318 9.394 1.00 0.00 C ATOM 1059 CG HIS A 72 6.448 11.629 9.166 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.232 12.236 9.424 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.163 10.379 8.700 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.265 11.381 9.124 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.844 10.230 8.676 1.00 0.00 N ATOM 0 H HIS A 72 10.255 12.245 9.407 1.00 0.00 H new ATOM 0 HA HIS A 72 8.391 11.626 7.496 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.346 11.748 10.124 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.588 13.300 9.830 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.102 13.181 9.784 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.888 9.636 8.401 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.205 11.563 9.218 1.00 0.00 H new ATOM 1071 N ALA A 73 8.988 14.809 7.601 1.00 0.00 N ATOM 1072 CA ALA A 73 8.753 16.073 6.923 1.00 0.00 C ATOM 1073 C ALA A 73 9.205 15.957 5.466 1.00 0.00 C ATOM 1074 O ALA A 73 8.456 16.295 4.551 1.00 0.00 O ATOM 1075 CB ALA A 73 9.475 17.195 7.670 1.00 0.00 C ATOM 0 H ALA A 73 9.753 14.823 8.276 1.00 0.00 H new ATOM 0 HA ALA A 73 7.690 16.315 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.299 18.143 7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.097 17.255 8.691 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.545 16.988 7.691 1.00 0.00 H new ATOM 1081 N GLU A 74 10.429 15.478 5.296 1.00 0.00 N ATOM 1082 CA GLU A 74 10.990 15.314 3.966 1.00 0.00 C ATOM 1083 C GLU A 74 10.002 14.575 3.060 1.00 0.00 C ATOM 1084 O GLU A 74 9.557 15.116 2.049 1.00 0.00 O ATOM 1085 CB GLU A 74 12.333 14.583 4.023 1.00 0.00 C ATOM 1086 CG GLU A 74 13.494 15.575 4.122 1.00 0.00 C ATOM 1087 CD GLU A 74 13.574 16.450 2.869 1.00 0.00 C ATOM 1088 OE1 GLU A 74 13.656 15.861 1.770 1.00 0.00 O ATOM 1089 OE2 GLU A 74 13.553 17.688 3.040 1.00 0.00 O ATOM 0 H GLU A 74 11.048 15.198 6.057 1.00 0.00 H new ATOM 0 HA GLU A 74 11.170 16.303 3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.349 13.912 4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.453 13.965 3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.365 16.205 5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.431 15.033 4.252 1.00 0.00 H new ATOM 1096 N ALA A 75 9.688 13.350 3.456 1.00 0.00 N ATOM 1097 CA ALA A 75 8.762 12.532 2.693 1.00 0.00 C ATOM 1098 C ALA A 75 7.520 13.358 2.352 1.00 0.00 C ATOM 1099 O ALA A 75 7.146 13.470 1.185 1.00 0.00 O ATOM 1100 CB ALA A 75 8.421 11.270 3.488 1.00 0.00 C ATOM 0 H ALA A 75 10.059 12.905 4.295 1.00 0.00 H new ATOM 0 HA ALA A 75 9.215 12.214 1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.726 10.656 2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.332 10.704 3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.962 11.550 4.436 1.00 0.00 H new ATOM 1106 N VAL A 76 6.916 13.917 3.390 1.00 0.00 N ATOM 1107 CA VAL A 76 5.725 14.730 3.215 1.00 0.00 C ATOM 1108 C VAL A 76 6.002 15.814 2.171 1.00 0.00 C ATOM 1109 O VAL A 76 5.301 15.905 1.164 1.00 0.00 O ATOM 1110 CB VAL A 76 5.276 15.298 4.563 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.076 16.231 4.392 1.00 0.00 C ATOM 1112 CG2 VAL A 76 4.962 14.176 5.554 1.00 0.00 C ATOM 0 H VAL A 76 7.230 13.823 4.356 1.00 0.00 H new ATOM 0 HA VAL A 76 4.900 14.123 2.843 1.00 0.00 H new ATOM 0 HB VAL A 76 6.100 15.883 4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.777 16.621 5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.349 17.059 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.246 15.679 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.645 14.607 6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.163 13.551 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.854 13.569 5.711 1.00 0.00 H new ATOM 1122 N LYS A 77 7.025 16.610 2.448 1.00 0.00 N ATOM 1123 CA LYS A 77 7.402 17.684 1.546 1.00 0.00 C ATOM 1124 C LYS A 77 7.506 17.135 0.122 1.00 0.00 C ATOM 1125 O LYS A 77 7.386 17.885 -0.847 1.00 0.00 O ATOM 1126 CB LYS A 77 8.679 18.370 2.035 1.00 0.00 C ATOM 1127 CG LYS A 77 8.350 19.580 2.912 1.00 0.00 C ATOM 1128 CD LYS A 77 8.726 19.317 4.372 1.00 0.00 C ATOM 1129 CE LYS A 77 8.449 20.547 5.239 1.00 0.00 C ATOM 1130 NZ LYS A 77 9.659 20.925 6.003 1.00 0.00 N ATOM 0 H LYS A 77 7.604 16.532 3.284 1.00 0.00 H new ATOM 0 HA LYS A 77 6.635 18.459 1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.284 17.661 2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.276 18.688 1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.887 20.455 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.286 19.806 2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.159 18.466 4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.781 19.051 4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.134 21.379 4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.629 20.338 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.445 21.741 6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.962 20.123 6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.422 21.177 5.343 1.00 0.00 H new ATOM 1144 N ALA A 78 7.729 15.832 0.038 1.00 0.00 N ATOM 1145 CA ALA A 78 7.850 15.174 -1.251 1.00 0.00 C ATOM 1146 C ALA A 78 6.468 14.708 -1.714 1.00 0.00 C ATOM 1147 O ALA A 78 6.079 14.946 -2.856 1.00 0.00 O ATOM 1148 CB ALA A 78 8.848 14.020 -1.144 1.00 0.00 C ATOM 0 H ALA A 78 7.829 15.214 0.843 1.00 0.00 H new ATOM 0 HA ALA A 78 8.232 15.867 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.939 13.526 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.821 14.407 -0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.497 13.303 -0.402 1.00 0.00 H new ATOM 1154 N LEU A 79 5.764 14.054 -0.802 1.00 0.00 N ATOM 1155 CA LEU A 79 4.433 13.553 -1.102 1.00 0.00 C ATOM 1156 C LEU A 79 3.572 14.697 -1.641 1.00 0.00 C ATOM 1157 O LEU A 79 2.633 14.467 -2.402 1.00 0.00 O ATOM 1158 CB LEU A 79 3.835 12.856 0.121 1.00 0.00 C ATOM 1159 CG LEU A 79 4.311 11.424 0.377 1.00 0.00 C ATOM 1160 CD1 LEU A 79 4.300 11.102 1.873 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.488 10.420 -0.432 1.00 0.00 C ATOM 0 H LEU A 79 6.090 13.859 0.145 1.00 0.00 H new ATOM 0 HA LEU A 79 4.478 12.793 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.061 13.456 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.750 12.843 0.013 1.00 0.00 H new ATOM 0 HG LEU A 79 5.343 11.341 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.642 10.079 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.963 11.790 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.287 11.208 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.847 9.410 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.439 10.496 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.591 10.638 -1.495 1.00 0.00 H new ATOM 1257 N LEU A 85 2.024 12.680 -9.296 1.00 0.00 N ATOM 1258 CA LEU A 85 2.789 11.969 -8.286 1.00 0.00 C ATOM 1259 C LEU A 85 2.556 10.464 -8.442 1.00 0.00 C ATOM 1260 O LEU A 85 1.423 10.025 -8.633 1.00 0.00 O ATOM 1261 CB LEU A 85 2.460 12.501 -6.890 1.00 0.00 C ATOM 1262 CG LEU A 85 2.965 11.660 -5.716 1.00 0.00 C ATOM 1263 CD1 LEU A 85 4.490 11.538 -5.744 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.459 12.218 -4.384 1.00 0.00 C ATOM 0 HA LEU A 85 3.856 12.143 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.876 13.504 -6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.377 12.595 -6.805 1.00 0.00 H new ATOM 0 HG LEU A 85 2.560 10.653 -5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.822 10.935 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.800 11.061 -6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.936 12.531 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.832 11.602 -3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.815 13.241 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.369 12.209 -4.376 1.00 0.00 H new ATOM 1276 N VAL A 86 3.646 9.717 -8.355 1.00 0.00 N ATOM 1277 CA VAL A 86 3.574 8.271 -8.484 1.00 0.00 C ATOM 1278 C VAL A 86 4.068 7.623 -7.188 1.00 0.00 C ATOM 1279 O VAL A 86 5.258 7.668 -6.882 1.00 0.00 O ATOM 1280 CB VAL A 86 4.358 7.816 -9.716 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.558 6.299 -9.710 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.669 8.273 -11.004 1.00 0.00 C ATOM 0 H VAL A 86 4.584 10.085 -8.197 1.00 0.00 H new ATOM 0 HA VAL A 86 2.543 7.952 -8.635 1.00 0.00 H new ATOM 0 HB VAL A 86 5.342 8.284 -9.678 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.118 6.002 -10.597 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.112 6.009 -8.817 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.587 5.804 -9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.247 7.937 -11.865 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.667 7.848 -11.051 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.602 9.361 -11.015 1.00 0.00 H new ATOM 1292 N LEU A 87 3.128 7.035 -6.463 1.00 0.00 N ATOM 1293 CA LEU A 87 3.452 6.378 -5.208 1.00 0.00 C ATOM 1294 C LEU A 87 3.945 4.958 -5.493 1.00 0.00 C ATOM 1295 O LEU A 87 3.216 4.146 -6.061 1.00 0.00 O ATOM 1296 CB LEU A 87 2.260 6.434 -4.251 1.00 0.00 C ATOM 1297 CG LEU A 87 1.594 7.802 -4.089 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.640 8.906 -3.921 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.640 8.089 -5.250 1.00 0.00 C ATOM 0 H LEU A 87 2.142 7.000 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 87 4.263 6.902 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.508 5.725 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.591 6.095 -3.270 1.00 0.00 H new ATOM 0 HG LEU A 87 0.996 7.784 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.139 9.868 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.243 8.704 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.284 8.934 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.180 9.067 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.195 8.080 -6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.136 7.324 -5.281 1.00 0.00 H new ATOM 1311 N SER A 88 5.180 4.702 -5.086 1.00 0.00 N ATOM 1312 CA SER A 88 5.779 3.394 -5.290 1.00 0.00 C ATOM 1313 C SER A 88 5.677 2.566 -4.008 1.00 0.00 C ATOM 1314 O SER A 88 6.424 2.791 -3.058 1.00 0.00 O ATOM 1315 CB SER A 88 7.240 3.520 -5.726 1.00 0.00 C ATOM 1316 OG SER A 88 7.372 4.225 -6.957 1.00 0.00 O ATOM 0 H SER A 88 5.782 5.378 -4.616 1.00 0.00 H new ATOM 0 HA SER A 88 5.233 2.888 -6.086 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.806 4.036 -4.951 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.674 2.526 -5.830 1.00 0.00 H new ATOM 0 HG SER A 88 8.294 4.149 -7.281 1.00 0.00 H new ATOM 1322 N VAL A 89 4.745 1.624 -4.023 1.00 0.00 N ATOM 1323 CA VAL A 89 4.535 0.760 -2.874 1.00 0.00 C ATOM 1324 C VAL A 89 4.876 -0.682 -3.255 1.00 0.00 C ATOM 1325 O VAL A 89 4.552 -1.130 -4.354 1.00 0.00 O ATOM 1326 CB VAL A 89 3.105 0.919 -2.354 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.052 1.905 -1.185 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.158 1.348 -3.477 1.00 0.00 C ATOM 0 H VAL A 89 4.127 1.440 -4.813 1.00 0.00 H new ATOM 0 HA VAL A 89 5.197 1.045 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 89 2.772 -0.052 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.024 1.999 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.680 1.540 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.414 2.879 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.148 1.454 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.489 2.302 -3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.162 0.594 -4.264 1.00 0.00 H new ATOM 1338 N TYR A 90 5.526 -1.368 -2.326 1.00 0.00 N ATOM 1339 CA TYR A 90 5.914 -2.750 -2.551 1.00 0.00 C ATOM 1340 C TYR A 90 4.847 -3.712 -2.026 1.00 0.00 C ATOM 1341 O TYR A 90 4.476 -3.653 -0.854 1.00 0.00 O ATOM 1342 CB TYR A 90 7.207 -2.959 -1.760 1.00 0.00 C ATOM 1343 CG TYR A 90 7.455 -4.410 -1.345 1.00 0.00 C ATOM 1344 CD1 TYR A 90 7.689 -5.373 -2.306 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.444 -4.757 -0.009 1.00 0.00 C ATOM 1346 CE1 TYR A 90 7.922 -6.739 -1.915 1.00 0.00 C ATOM 1347 CE2 TYR A 90 7.677 -6.123 0.382 1.00 0.00 C ATOM 1348 CZ TYR A 90 7.904 -7.047 -0.590 1.00 0.00 C ATOM 1349 OH TYR A 90 8.124 -8.337 -0.221 1.00 0.00 O ATOM 0 H TYR A 90 5.794 -0.992 -1.416 1.00 0.00 H new ATOM 0 HA TYR A 90 6.039 -2.945 -3.616 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.048 -2.615 -2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.179 -2.336 -0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.697 -5.102 -3.351 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.261 -4.004 0.743 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.107 -7.502 -2.657 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.672 -6.408 1.424 1.00 0.00 H new ATOM 0 HH TYR A 90 8.083 -8.409 0.755 1.00 0.00 H new ATOM 1359 N SER A 91 4.384 -4.576 -2.917 1.00 0.00 N ATOM 1360 CA SER A 91 3.367 -5.550 -2.557 1.00 0.00 C ATOM 1361 C SER A 91 4.026 -6.874 -2.166 1.00 0.00 C ATOM 1362 O SER A 91 5.091 -7.216 -2.676 1.00 0.00 O ATOM 1363 CB SER A 91 2.381 -5.767 -3.707 1.00 0.00 C ATOM 1364 OG SER A 91 2.965 -6.503 -4.779 1.00 0.00 O ATOM 0 H SER A 91 4.694 -4.622 -3.888 1.00 0.00 H new ATOM 0 HA SER A 91 2.809 -5.163 -1.704 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.504 -6.299 -3.337 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.036 -4.801 -4.076 1.00 0.00 H new ATOM 0 HG SER A 91 2.304 -6.622 -5.492 1.00 0.00 H new