USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=14 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 -97:sc= 1.17 USER MOD Set 1.2: A 58 GLN :FLIP amide:sc= -3.61! C(o=-7.9!,f=-2.4!) USER MOD Single : A 13 SER OG : rot 22:sc= 0.644! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -160:sc=-0.00398 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 40 SER OG : rot 180:sc= -1.18 USER MOD Single : A 46 SER OG : rot -101:sc= 1.05 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 35:sc= 0.171 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0374 USER MOD Single : A 72 HIS : no HE2:sc= -1.53 K(o=-1.5,f=-5.9!) USER MOD Single : A 77 LYS NZ :NH3+ 154:sc= -0.115 (180deg=-1.14) USER MOD Single : A 88 SER OG : rot -140:sc= -0.0207 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 6.666 -4.356 -7.008 1.00 0.00 N ATOM 82 CA VAL A 9 6.374 -2.975 -6.664 1.00 0.00 C ATOM 83 C VAL A 9 5.314 -2.428 -7.622 1.00 0.00 C ATOM 84 O VAL A 9 5.433 -2.579 -8.837 1.00 0.00 O ATOM 85 CB VAL A 9 7.664 -2.152 -6.668 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.357 -0.653 -6.689 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.548 -2.513 -5.473 1.00 0.00 C ATOM 0 HA VAL A 9 5.965 -2.911 -5.656 1.00 0.00 H new ATOM 0 HB VAL A 9 8.214 -2.395 -7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.291 -0.090 -6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.785 -0.411 -7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.776 -0.388 -5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.458 -1.914 -5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.008 -2.312 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.808 -3.570 -5.519 1.00 0.00 H new ATOM 97 N ARG A 10 4.300 -1.806 -7.039 1.00 0.00 N ATOM 98 CA ARG A 10 3.219 -1.236 -7.826 1.00 0.00 C ATOM 99 C ARG A 10 3.376 0.283 -7.922 1.00 0.00 C ATOM 100 O ARG A 10 4.204 0.870 -7.228 1.00 0.00 O ATOM 101 CB ARG A 10 1.858 -1.563 -7.209 1.00 0.00 C ATOM 102 CG ARG A 10 1.684 -0.861 -5.860 1.00 0.00 C ATOM 103 CD ARG A 10 0.452 -1.389 -5.122 1.00 0.00 C ATOM 104 NE ARG A 10 0.869 -2.264 -4.004 1.00 0.00 N ATOM 105 CZ ARG A 10 0.016 -2.904 -3.193 1.00 0.00 C ATOM 106 NH1 ARG A 10 -1.306 -2.770 -3.371 1.00 0.00 N ATOM 107 NH2 ARG A 10 0.484 -3.677 -2.204 1.00 0.00 N ATOM 0 H ARG A 10 4.204 -1.684 -6.031 1.00 0.00 H new ATOM 0 HA ARG A 10 3.268 -1.673 -8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.063 -1.255 -7.888 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.764 -2.641 -7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.573 -1.016 -5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.587 0.214 -6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.139 -0.556 -4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.185 -1.944 -5.811 1.00 0.00 H new ATOM 0 HE ARG A 10 1.868 -2.388 -3.841 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.662 -2.181 -4.124 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.956 -3.257 -2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.490 -3.778 -2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.166 -4.164 -1.587 1.00 0.00 H new ATOM 121 N LEU A 11 2.569 0.875 -8.789 1.00 0.00 N ATOM 122 CA LEU A 11 2.608 2.314 -8.986 1.00 0.00 C ATOM 123 C LEU A 11 1.217 2.898 -8.729 1.00 0.00 C ATOM 124 O LEU A 11 0.333 2.803 -9.580 1.00 0.00 O ATOM 125 CB LEU A 11 3.170 2.651 -10.368 1.00 0.00 C ATOM 126 CG LEU A 11 4.638 2.287 -10.602 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.104 2.750 -11.984 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.524 2.839 -9.484 1.00 0.00 C ATOM 0 H LEU A 11 1.884 0.384 -9.364 1.00 0.00 H new ATOM 0 HA LEU A 11 3.286 2.778 -8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.566 2.141 -11.118 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.050 3.721 -10.536 1.00 0.00 H new ATOM 0 HG LEU A 11 4.729 1.201 -10.579 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.150 2.479 -12.125 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.498 2.269 -12.752 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.996 3.832 -12.061 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.562 2.566 -9.674 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.434 3.925 -9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.208 2.420 -8.529 1.00 0.00 H new ATOM 140 N VAL A 12 1.066 3.488 -7.553 1.00 0.00 N ATOM 141 CA VAL A 12 -0.203 4.087 -7.174 1.00 0.00 C ATOM 142 C VAL A 12 -0.178 5.579 -7.510 1.00 0.00 C ATOM 143 O VAL A 12 0.843 6.242 -7.334 1.00 0.00 O ATOM 144 CB VAL A 12 -0.490 3.812 -5.696 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.736 4.569 -5.230 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.631 2.311 -5.435 1.00 0.00 C ATOM 0 H VAL A 12 1.801 3.564 -6.850 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.021 3.640 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 12 0.359 4.174 -5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.918 4.357 -4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.582 5.640 -5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.597 4.250 -5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.835 2.143 -4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.453 1.914 -6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.294 1.805 -5.711 1.00 0.00 H new ATOM 156 N SER A 13 -1.315 6.064 -7.988 1.00 0.00 N ATOM 157 CA SER A 13 -1.437 7.466 -8.350 1.00 0.00 C ATOM 158 C SER A 13 -2.673 8.073 -7.684 1.00 0.00 C ATOM 159 O SER A 13 -3.790 7.604 -7.895 1.00 0.00 O ATOM 160 CB SER A 13 -1.514 7.637 -9.869 1.00 0.00 C ATOM 161 OG SER A 13 -2.824 7.382 -10.369 1.00 0.00 O ATOM 0 H SER A 13 -2.160 5.511 -8.133 1.00 0.00 H new ATOM 0 HA SER A 13 -0.549 7.989 -7.997 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.215 8.651 -10.135 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.806 6.960 -10.346 1.00 0.00 H new ATOM 0 HG SER A 13 -3.477 7.492 -9.647 1.00 0.00 H new ATOM 167 N LEU A 14 -2.431 9.108 -6.892 1.00 0.00 N ATOM 168 CA LEU A 14 -3.510 9.784 -6.194 1.00 0.00 C ATOM 169 C LEU A 14 -3.652 11.207 -6.739 1.00 0.00 C ATOM 170 O LEU A 14 -2.675 11.950 -6.806 1.00 0.00 O ATOM 171 CB LEU A 14 -3.289 9.725 -4.681 1.00 0.00 C ATOM 172 CG LEU A 14 -3.724 8.431 -3.990 1.00 0.00 C ATOM 173 CD1 LEU A 14 -5.211 8.159 -4.220 1.00 0.00 C ATOM 174 CD2 LEU A 14 -2.851 7.254 -4.431 1.00 0.00 C ATOM 0 H LEU A 14 -1.503 9.494 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.457 9.276 -6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.229 9.881 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.825 10.556 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.582 8.553 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.493 7.234 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.798 8.984 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.403 8.065 -5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.181 6.347 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.938 7.121 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.811 7.455 -4.173 1.00 0.00 H new ATOM 315 N LEU A 23 -3.817 12.541 0.269 1.00 0.00 N ATOM 316 CA LEU A 23 -4.114 11.834 -0.965 1.00 0.00 C ATOM 317 C LEU A 23 -5.017 10.638 -0.658 1.00 0.00 C ATOM 318 O LEU A 23 -5.055 9.673 -1.420 1.00 0.00 O ATOM 319 CB LEU A 23 -2.822 11.458 -1.692 1.00 0.00 C ATOM 320 CG LEU A 23 -1.565 12.218 -1.262 1.00 0.00 C ATOM 321 CD1 LEU A 23 -0.301 11.435 -1.622 1.00 0.00 C ATOM 322 CD2 LEU A 23 -1.550 13.631 -1.848 1.00 0.00 C ATOM 0 HA LEU A 23 -4.662 12.480 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.645 10.392 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.970 11.616 -2.760 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.583 12.320 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.578 11.997 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.315 10.469 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.264 11.280 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.646 14.149 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.568 13.574 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.425 14.179 -1.499 1.00 0.00 H new ATOM 334 N GLY A 24 -5.722 10.740 0.459 1.00 0.00 N ATOM 335 CA GLY A 24 -6.622 9.678 0.876 1.00 0.00 C ATOM 336 C GLY A 24 -5.892 8.649 1.742 1.00 0.00 C ATOM 337 O GLY A 24 -6.524 7.877 2.460 1.00 0.00 O ATOM 0 H GLY A 24 -5.688 11.542 1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.457 10.102 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.042 9.187 -0.002 1.00 0.00 H new ATOM 341 N PHE A 25 -4.571 8.673 1.646 1.00 0.00 N ATOM 342 CA PHE A 25 -3.748 7.752 2.411 1.00 0.00 C ATOM 343 C PHE A 25 -2.636 8.496 3.154 1.00 0.00 C ATOM 344 O PHE A 25 -1.927 9.309 2.563 1.00 0.00 O ATOM 345 CB PHE A 25 -3.116 6.780 1.412 1.00 0.00 C ATOM 346 CG PHE A 25 -1.891 7.342 0.688 1.00 0.00 C ATOM 347 CD1 PHE A 25 -0.664 7.273 1.272 1.00 0.00 C ATOM 348 CD2 PHE A 25 -2.028 7.911 -0.540 1.00 0.00 C ATOM 349 CE1 PHE A 25 0.473 7.794 0.600 1.00 0.00 C ATOM 350 CE2 PHE A 25 -0.891 8.433 -1.212 1.00 0.00 C ATOM 351 CZ PHE A 25 0.335 8.363 -0.628 1.00 0.00 C ATOM 0 H PHE A 25 -4.050 9.316 1.050 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.359 7.235 3.151 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.829 5.870 1.938 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.865 6.497 0.672 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.555 6.822 2.247 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.002 7.966 -1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.447 7.739 1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.000 8.885 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.200 8.759 -1.139 1.00 0.00 H new ATOM 361 N SER A 26 -2.520 8.192 4.438 1.00 0.00 N ATOM 362 CA SER A 26 -1.507 8.822 5.267 1.00 0.00 C ATOM 363 C SER A 26 -0.216 8.002 5.231 1.00 0.00 C ATOM 364 O SER A 26 -0.224 6.844 4.816 1.00 0.00 O ATOM 365 CB SER A 26 -1.995 8.981 6.708 1.00 0.00 C ATOM 366 OG SER A 26 -1.810 10.309 7.192 1.00 0.00 O ATOM 0 H SER A 26 -3.111 7.518 4.925 1.00 0.00 H new ATOM 0 HA SER A 26 -1.309 9.817 4.867 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.052 8.719 6.764 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.459 8.283 7.351 1.00 0.00 H new ATOM 0 HG SER A 26 -2.136 10.369 8.114 1.00 0.00 H new ATOM 372 N ILE A 27 0.862 8.634 5.672 1.00 0.00 N ATOM 373 CA ILE A 27 2.158 7.976 5.695 1.00 0.00 C ATOM 374 C ILE A 27 2.777 8.129 7.086 1.00 0.00 C ATOM 375 O ILE A 27 2.408 9.030 7.838 1.00 0.00 O ATOM 376 CB ILE A 27 3.046 8.501 4.566 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.423 9.965 4.800 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.381 8.292 3.203 1.00 0.00 C ATOM 379 CD1 ILE A 27 4.895 10.213 4.466 1.00 0.00 C ATOM 0 H ILE A 27 0.865 9.594 6.016 1.00 0.00 H new ATOM 0 HA ILE A 27 2.046 6.908 5.510 1.00 0.00 H new ATOM 0 HB ILE A 27 3.972 7.926 4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.794 10.609 4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.233 10.231 5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.033 8.674 2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.205 7.228 3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.430 8.825 3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.136 11.261 4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.522 9.586 5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.077 9.969 3.419 1.00 0.00 H new ATOM 391 N ARG A 28 3.708 7.235 7.386 1.00 0.00 N ATOM 392 CA ARG A 28 4.382 7.259 8.673 1.00 0.00 C ATOM 393 C ARG A 28 5.830 6.788 8.522 1.00 0.00 C ATOM 394 O ARG A 28 6.225 6.316 7.458 1.00 0.00 O ATOM 395 CB ARG A 28 3.665 6.366 9.687 1.00 0.00 C ATOM 396 CG ARG A 28 3.651 4.909 9.221 1.00 0.00 C ATOM 397 CD ARG A 28 3.678 3.952 10.415 1.00 0.00 C ATOM 398 NE ARG A 28 2.937 4.540 11.553 1.00 0.00 N ATOM 399 CZ ARG A 28 3.005 4.083 12.810 1.00 0.00 C ATOM 400 NH1 ARG A 28 3.781 3.029 13.099 1.00 0.00 N ATOM 401 NH2 ARG A 28 2.298 4.679 13.779 1.00 0.00 N ATOM 0 H ARG A 28 4.011 6.489 6.760 1.00 0.00 H new ATOM 0 HA ARG A 28 4.366 8.286 9.037 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.161 6.437 10.655 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.642 6.717 9.827 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.760 4.724 8.622 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.512 4.720 8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.233 2.997 10.136 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.709 3.751 10.707 1.00 0.00 H new ATOM 0 HE ARG A 28 2.337 5.344 11.368 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.320 2.575 12.362 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.833 2.681 14.056 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.708 5.481 13.560 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.350 4.331 14.736 1.00 0.00 H new ATOM 415 N GLY A 29 6.581 6.932 9.604 1.00 0.00 N ATOM 416 CA GLY A 29 7.976 6.527 9.606 1.00 0.00 C ATOM 417 C GLY A 29 8.900 7.741 9.491 1.00 0.00 C ATOM 418 O GLY A 29 8.521 8.851 9.863 1.00 0.00 O ATOM 0 H GLY A 29 6.249 7.324 10.485 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.199 5.982 10.523 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.161 5.845 8.776 1.00 0.00 H new ATOM 422 N GLY A 30 10.094 7.489 8.975 1.00 0.00 N ATOM 423 CA GLY A 30 11.074 8.548 8.806 1.00 0.00 C ATOM 424 C GLY A 30 12.426 8.143 9.399 1.00 0.00 C ATOM 425 O GLY A 30 12.487 7.599 10.500 1.00 0.00 O ATOM 0 H GLY A 30 10.405 6.567 8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.191 8.775 7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.719 9.458 9.289 1.00 0.00 H new ATOM 429 N SER A 31 13.476 8.424 8.641 1.00 0.00 N ATOM 430 CA SER A 31 14.823 8.096 9.078 1.00 0.00 C ATOM 431 C SER A 31 14.993 8.445 10.558 1.00 0.00 C ATOM 432 O SER A 31 15.790 7.824 11.258 1.00 0.00 O ATOM 433 CB SER A 31 15.868 8.829 8.236 1.00 0.00 C ATOM 434 OG SER A 31 16.984 7.998 7.927 1.00 0.00 O ATOM 0 H SER A 31 13.421 8.875 7.728 1.00 0.00 H new ATOM 0 HA SER A 31 14.975 7.025 8.945 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.409 9.178 7.311 1.00 0.00 H new ATOM 0 HB3 SER A 31 16.212 9.713 8.774 1.00 0.00 H new ATOM 0 HG SER A 31 17.749 8.557 7.679 1.00 0.00 H new ATOM 440 N GLU A 32 14.230 9.439 10.990 1.00 0.00 N ATOM 441 CA GLU A 32 14.286 9.878 12.374 1.00 0.00 C ATOM 442 C GLU A 32 14.166 8.679 13.317 1.00 0.00 C ATOM 443 O GLU A 32 15.063 8.423 14.118 1.00 0.00 O ATOM 444 CB GLU A 32 13.200 10.915 12.665 1.00 0.00 C ATOM 445 CG GLU A 32 13.607 11.826 13.824 1.00 0.00 C ATOM 446 CD GLU A 32 12.709 13.063 13.892 1.00 0.00 C ATOM 447 OE1 GLU A 32 11.671 12.973 14.582 1.00 0.00 O ATOM 448 OE2 GLU A 32 13.081 14.070 13.252 1.00 0.00 O ATOM 0 H GLU A 32 13.570 9.952 10.406 1.00 0.00 H new ATOM 0 HA GLU A 32 15.252 10.354 12.544 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.017 11.515 11.773 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.265 10.409 12.906 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.545 11.275 14.763 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.646 12.133 13.702 1.00 0.00 H new ATOM 455 N HIS A 33 13.050 7.976 13.189 1.00 0.00 N ATOM 456 CA HIS A 33 12.801 6.810 14.020 1.00 0.00 C ATOM 457 C HIS A 33 13.776 5.693 13.641 1.00 0.00 C ATOM 458 O HIS A 33 13.997 4.767 14.420 1.00 0.00 O ATOM 459 CB HIS A 33 11.337 6.378 13.924 1.00 0.00 C ATOM 460 CG HIS A 33 10.489 6.818 15.094 1.00 0.00 C ATOM 461 ND1 HIS A 33 9.716 5.939 15.832 1.00 0.00 N ATOM 462 CD2 HIS A 33 10.302 8.052 15.644 1.00 0.00 C ATOM 463 CE1 HIS A 33 9.095 6.625 16.781 1.00 0.00 C ATOM 464 NE2 HIS A 33 9.459 7.934 16.662 1.00 0.00 N ATOM 0 H HIS A 33 12.308 8.191 12.523 1.00 0.00 H new ATOM 0 HA HIS A 33 12.977 7.059 15.066 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.909 6.781 13.006 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.294 5.292 13.845 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.762 8.970 15.308 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.419 6.219 17.519 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.136 8.697 17.257 1.00 0.00 H new ATOM 472 N GLY A 34 14.332 5.817 12.445 1.00 0.00 N ATOM 473 CA GLY A 34 15.277 4.829 11.954 1.00 0.00 C ATOM 474 C GLY A 34 14.630 3.927 10.901 1.00 0.00 C ATOM 475 O GLY A 34 15.261 2.995 10.404 1.00 0.00 O ATOM 0 H GLY A 34 14.146 6.586 11.802 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.144 5.332 11.525 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.639 4.223 12.784 1.00 0.00 H new ATOM 479 N VAL A 35 13.379 4.235 10.592 1.00 0.00 N ATOM 480 CA VAL A 35 12.640 3.464 9.607 1.00 0.00 C ATOM 481 C VAL A 35 12.386 4.331 8.372 1.00 0.00 C ATOM 482 O VAL A 35 12.660 5.531 8.385 1.00 0.00 O ATOM 483 CB VAL A 35 11.352 2.919 10.229 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.567 2.547 11.697 1.00 0.00 C ATOM 485 CG2 VAL A 35 10.204 3.919 10.078 1.00 0.00 C ATOM 0 H VAL A 35 12.858 5.008 11.007 1.00 0.00 H new ATOM 0 HA VAL A 35 13.221 2.600 9.284 1.00 0.00 H new ATOM 0 HB VAL A 35 11.078 2.012 9.691 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.637 2.163 12.115 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.340 1.782 11.769 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.877 3.431 12.255 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.301 3.507 10.528 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.466 4.852 10.578 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.026 4.112 9.020 1.00 0.00 H new ATOM 495 N GLY A 36 11.867 3.691 7.335 1.00 0.00 N ATOM 496 CA GLY A 36 11.574 4.388 6.095 1.00 0.00 C ATOM 497 C GLY A 36 10.187 5.032 6.142 1.00 0.00 C ATOM 498 O GLY A 36 9.883 5.793 7.060 1.00 0.00 O ATOM 0 H GLY A 36 11.642 2.696 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.329 5.154 5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.626 3.689 5.260 1.00 0.00 H new ATOM 502 N ILE A 37 9.383 4.704 5.142 1.00 0.00 N ATOM 503 CA ILE A 37 8.035 5.240 5.058 1.00 0.00 C ATOM 504 C ILE A 37 7.051 4.097 4.802 1.00 0.00 C ATOM 505 O ILE A 37 7.377 3.135 4.109 1.00 0.00 O ATOM 506 CB ILE A 37 7.967 6.356 4.014 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.100 7.364 4.213 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.593 7.029 4.020 1.00 0.00 C ATOM 509 CD1 ILE A 37 8.860 8.219 5.459 1.00 0.00 C ATOM 0 H ILE A 37 9.639 4.073 4.382 1.00 0.00 H new ATOM 0 HA ILE A 37 7.749 5.701 6.003 1.00 0.00 H new ATOM 0 HB ILE A 37 8.103 5.910 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.049 6.836 4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.178 8.007 3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.571 7.819 3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.825 6.290 3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.403 7.459 5.004 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.680 8.927 5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.922 8.764 5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.807 7.575 6.337 1.00 0.00 H new ATOM 521 N TYR A 38 5.865 4.241 5.376 1.00 0.00 N ATOM 522 CA TYR A 38 4.831 3.232 5.218 1.00 0.00 C ATOM 523 C TYR A 38 3.444 3.824 5.476 1.00 0.00 C ATOM 524 O TYR A 38 3.304 4.779 6.239 1.00 0.00 O ATOM 525 CB TYR A 38 5.120 2.163 6.274 1.00 0.00 C ATOM 526 CG TYR A 38 6.509 1.534 6.158 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.588 2.121 6.789 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.685 0.379 5.423 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.896 1.529 6.680 1.00 0.00 C ATOM 530 CE2 TYR A 38 7.993 -0.213 5.314 1.00 0.00 C ATOM 531 CZ TYR A 38 9.034 0.391 5.948 1.00 0.00 C ATOM 532 OH TYR A 38 10.269 -0.169 5.845 1.00 0.00 O ATOM 0 H TYR A 38 5.597 5.040 5.950 1.00 0.00 H new ATOM 0 HA TYR A 38 4.838 2.831 4.204 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.015 2.607 7.264 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.369 1.377 6.196 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.451 3.025 7.365 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.841 -0.081 4.930 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.748 1.978 7.168 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.144 -1.116 4.742 1.00 0.00 H new ATOM 0 HH TYR A 38 10.690 0.119 5.008 1.00 0.00 H new ATOM 542 N VAL A 39 2.453 3.233 4.825 1.00 0.00 N ATOM 543 CA VAL A 39 1.082 3.690 4.974 1.00 0.00 C ATOM 544 C VAL A 39 0.639 3.496 6.425 1.00 0.00 C ATOM 545 O VAL A 39 0.900 2.454 7.024 1.00 0.00 O ATOM 546 CB VAL A 39 0.178 2.969 3.971 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.234 3.558 3.984 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.777 3.011 2.564 1.00 0.00 C ATOM 0 H VAL A 39 2.572 2.441 4.193 1.00 0.00 H new ATOM 0 HA VAL A 39 1.008 4.754 4.751 1.00 0.00 H new ATOM 0 HB VAL A 39 0.108 1.924 4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.856 3.028 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.663 3.452 4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.190 4.614 3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.115 2.492 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.892 4.048 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.752 2.523 2.569 1.00 0.00 H new ATOM 558 N SER A 40 -0.025 4.516 6.949 1.00 0.00 N ATOM 559 CA SER A 40 -0.507 4.471 8.319 1.00 0.00 C ATOM 560 C SER A 40 -2.037 4.463 8.336 1.00 0.00 C ATOM 561 O SER A 40 -2.648 3.887 9.234 1.00 0.00 O ATOM 562 CB SER A 40 0.026 5.654 9.130 1.00 0.00 C ATOM 563 OG SER A 40 -0.664 6.864 8.827 1.00 0.00 O ATOM 0 H SER A 40 -0.241 5.379 6.449 1.00 0.00 H new ATOM 0 HA SER A 40 -0.140 3.554 8.780 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.072 5.438 10.194 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.089 5.783 8.927 1.00 0.00 H new ATOM 0 HG SER A 40 -0.296 7.595 9.366 1.00 0.00 H new ATOM 569 N LEU A 41 -2.611 5.108 7.332 1.00 0.00 N ATOM 570 CA LEU A 41 -4.058 5.183 7.220 1.00 0.00 C ATOM 571 C LEU A 41 -4.451 5.190 5.741 1.00 0.00 C ATOM 572 O LEU A 41 -3.713 5.703 4.901 1.00 0.00 O ATOM 573 CB LEU A 41 -4.595 6.381 8.005 1.00 0.00 C ATOM 574 CG LEU A 41 -6.077 6.705 7.803 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.334 7.242 6.394 1.00 0.00 C ATOM 576 CD2 LEU A 41 -6.952 5.491 8.122 1.00 0.00 C ATOM 0 H LEU A 41 -2.100 5.584 6.588 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.521 4.304 7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.424 6.201 9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.011 7.260 7.733 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.353 7.494 8.503 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.395 7.464 6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.754 8.152 6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.037 6.493 5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.000 5.748 7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.682 4.665 7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.798 5.194 9.159 1.00 0.00 H new ATOM 588 N VAL A 42 -5.613 4.615 5.468 1.00 0.00 N ATOM 589 CA VAL A 42 -6.113 4.549 4.105 1.00 0.00 C ATOM 590 C VAL A 42 -7.603 4.895 4.096 1.00 0.00 C ATOM 591 O VAL A 42 -8.404 4.221 4.742 1.00 0.00 O ATOM 592 CB VAL A 42 -5.815 3.174 3.504 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.809 2.834 2.392 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.374 3.100 2.993 1.00 0.00 C ATOM 0 H VAL A 42 -6.223 4.191 6.167 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.605 5.280 3.476 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.929 2.431 4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.574 1.852 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.820 2.826 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.741 3.582 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.188 2.112 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.221 3.858 2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.685 3.277 3.819 1.00 0.00 H new ATOM 604 N GLU A 43 -7.930 5.945 3.357 1.00 0.00 N ATOM 605 CA GLU A 43 -9.310 6.388 3.255 1.00 0.00 C ATOM 606 C GLU A 43 -10.150 5.344 2.517 1.00 0.00 C ATOM 607 O GLU A 43 -9.708 4.782 1.516 1.00 0.00 O ATOM 608 CB GLU A 43 -9.398 7.751 2.565 1.00 0.00 C ATOM 609 CG GLU A 43 -9.162 8.887 3.562 1.00 0.00 C ATOM 610 CD GLU A 43 -10.384 9.803 3.649 1.00 0.00 C ATOM 611 OE1 GLU A 43 -10.659 10.481 2.635 1.00 0.00 O ATOM 612 OE2 GLU A 43 -11.016 9.805 4.728 1.00 0.00 O ATOM 0 H GLU A 43 -7.263 6.502 2.823 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.711 6.501 4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.660 7.806 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.378 7.866 2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.943 8.472 4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.290 9.466 3.259 1.00 0.00 H new ATOM 619 N PRO A 44 -11.378 5.110 3.053 1.00 0.00 N ATOM 620 CA PRO A 44 -12.284 4.144 2.456 1.00 0.00 C ATOM 621 C PRO A 44 -12.910 4.698 1.175 1.00 0.00 C ATOM 622 O PRO A 44 -12.920 5.909 0.958 1.00 0.00 O ATOM 623 CB PRO A 44 -13.309 3.845 3.538 1.00 0.00 C ATOM 624 CG PRO A 44 -13.215 4.993 4.530 1.00 0.00 C ATOM 625 CD PRO A 44 -11.934 5.758 4.237 1.00 0.00 C ATOM 0 HA PRO A 44 -11.778 3.231 2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.312 3.774 3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.098 2.892 4.023 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.081 5.649 4.438 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.209 4.615 5.552 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.136 6.813 4.053 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.242 5.708 5.078 1.00 0.00 H new ATOM 633 N GLY A 45 -13.419 3.785 0.360 1.00 0.00 N ATOM 634 CA GLY A 45 -14.046 4.168 -0.893 1.00 0.00 C ATOM 635 C GLY A 45 -13.289 5.320 -1.556 1.00 0.00 C ATOM 636 O GLY A 45 -13.882 6.128 -2.270 1.00 0.00 O ATOM 0 H GLY A 45 -13.410 2.782 0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.074 3.311 -1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.079 4.464 -0.711 1.00 0.00 H new ATOM 640 N SER A 46 -11.991 5.361 -1.296 1.00 0.00 N ATOM 641 CA SER A 46 -11.146 6.401 -1.858 1.00 0.00 C ATOM 642 C SER A 46 -10.377 5.856 -3.063 1.00 0.00 C ATOM 643 O SER A 46 -10.480 4.674 -3.388 1.00 0.00 O ATOM 644 CB SER A 46 -10.175 6.948 -0.811 1.00 0.00 C ATOM 645 OG SER A 46 -8.973 6.184 -0.747 1.00 0.00 O ATOM 0 H SER A 46 -11.503 4.690 -0.703 1.00 0.00 H new ATOM 0 HA SER A 46 -11.785 7.222 -2.184 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.934 7.984 -1.047 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.658 6.947 0.166 1.00 0.00 H new ATOM 0 HG SER A 46 -9.009 5.581 0.025 1.00 0.00 H new ATOM 651 N LEU A 47 -9.622 6.744 -3.693 1.00 0.00 N ATOM 652 CA LEU A 47 -8.835 6.367 -4.855 1.00 0.00 C ATOM 653 C LEU A 47 -7.719 5.413 -4.422 1.00 0.00 C ATOM 654 O LEU A 47 -7.555 4.341 -5.002 1.00 0.00 O ATOM 655 CB LEU A 47 -8.330 7.612 -5.587 1.00 0.00 C ATOM 656 CG LEU A 47 -7.771 7.383 -6.993 1.00 0.00 C ATOM 657 CD1 LEU A 47 -7.900 8.646 -7.847 1.00 0.00 C ATOM 658 CD2 LEU A 47 -6.329 6.876 -6.933 1.00 0.00 C ATOM 0 H LEU A 47 -9.539 7.723 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.452 5.830 -5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.150 8.327 -5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.553 8.076 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.365 6.607 -7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.495 8.456 -8.841 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.951 8.923 -7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.346 9.460 -7.379 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.955 6.721 -7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.706 7.611 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.297 5.933 -6.386 1.00 0.00 H new ATOM 670 N ALA A 48 -6.981 5.839 -3.408 1.00 0.00 N ATOM 671 CA ALA A 48 -5.886 5.036 -2.891 1.00 0.00 C ATOM 672 C ALA A 48 -6.340 3.579 -2.770 1.00 0.00 C ATOM 673 O ALA A 48 -5.866 2.715 -3.506 1.00 0.00 O ATOM 674 CB ALA A 48 -5.416 5.613 -1.554 1.00 0.00 C ATOM 0 H ALA A 48 -7.120 6.730 -2.931 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.037 5.061 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.595 5.010 -1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.077 6.639 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.242 5.602 -0.842 1.00 0.00 H new ATOM 680 N GLU A 49 -7.252 3.353 -1.836 1.00 0.00 N ATOM 681 CA GLU A 49 -7.774 2.016 -1.609 1.00 0.00 C ATOM 682 C GLU A 49 -8.240 1.398 -2.929 1.00 0.00 C ATOM 683 O GLU A 49 -8.320 0.176 -3.052 1.00 0.00 O ATOM 684 CB GLU A 49 -8.909 2.038 -0.583 1.00 0.00 C ATOM 685 CG GLU A 49 -9.296 0.618 -0.163 1.00 0.00 C ATOM 686 CD GLU A 49 -8.536 0.192 1.095 1.00 0.00 C ATOM 687 OE1 GLU A 49 -7.425 -0.355 0.928 1.00 0.00 O ATOM 688 OE2 GLU A 49 -9.084 0.423 2.194 1.00 0.00 O ATOM 0 H GLU A 49 -7.643 4.073 -1.228 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.973 1.398 -1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.601 2.609 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.776 2.545 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.369 0.569 0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.081 -0.077 -0.975 1.00 0.00 H new ATOM 695 N LYS A 50 -8.536 2.269 -3.882 1.00 0.00 N ATOM 696 CA LYS A 50 -8.992 1.824 -5.188 1.00 0.00 C ATOM 697 C LYS A 50 -7.786 1.390 -6.024 1.00 0.00 C ATOM 698 O LYS A 50 -7.888 0.474 -6.839 1.00 0.00 O ATOM 699 CB LYS A 50 -9.845 2.904 -5.855 1.00 0.00 C ATOM 700 CG LYS A 50 -9.549 2.990 -7.353 1.00 0.00 C ATOM 701 CD LYS A 50 -10.617 3.811 -8.077 1.00 0.00 C ATOM 702 CE LYS A 50 -10.998 3.163 -9.410 1.00 0.00 C ATOM 703 NZ LYS A 50 -11.436 4.191 -10.380 1.00 0.00 N ATOM 0 H LYS A 50 -8.469 3.281 -3.776 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.641 0.954 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.901 2.684 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.649 3.868 -5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.570 3.443 -7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.507 1.987 -7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.501 3.900 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.247 4.821 -8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.145 2.615 -9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.797 2.438 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.691 3.734 -11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.263 4.696 -10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.663 4.867 -10.542 1.00 0.00 H new ATOM 717 N GLU A 51 -6.671 2.068 -5.793 1.00 0.00 N ATOM 718 CA GLU A 51 -5.447 1.764 -6.514 1.00 0.00 C ATOM 719 C GLU A 51 -4.779 0.519 -5.926 1.00 0.00 C ATOM 720 O GLU A 51 -3.851 -0.030 -6.517 1.00 0.00 O ATOM 721 CB GLU A 51 -4.491 2.958 -6.499 1.00 0.00 C ATOM 722 CG GLU A 51 -5.161 4.205 -7.080 1.00 0.00 C ATOM 723 CD GLU A 51 -5.139 4.177 -8.609 1.00 0.00 C ATOM 724 OE1 GLU A 51 -4.023 4.283 -9.163 1.00 0.00 O ATOM 725 OE2 GLU A 51 -6.238 4.051 -9.191 1.00 0.00 O ATOM 0 H GLU A 51 -6.590 2.827 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.703 1.558 -7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.168 3.157 -5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.597 2.720 -7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.191 4.266 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.649 5.098 -6.722 1.00 0.00 H new ATOM 732 N GLY A 52 -5.278 0.110 -4.769 1.00 0.00 N ATOM 733 CA GLY A 52 -4.742 -1.060 -4.094 1.00 0.00 C ATOM 734 C GLY A 52 -4.057 -0.670 -2.783 1.00 0.00 C ATOM 735 O GLY A 52 -3.850 -1.514 -1.912 1.00 0.00 O ATOM 0 H GLY A 52 -6.048 0.568 -4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.546 -1.768 -3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.029 -1.565 -4.745 1.00 0.00 H new ATOM 739 N LEU A 53 -3.724 0.608 -2.683 1.00 0.00 N ATOM 740 CA LEU A 53 -3.066 1.120 -1.493 1.00 0.00 C ATOM 741 C LEU A 53 -3.767 0.567 -0.251 1.00 0.00 C ATOM 742 O LEU A 53 -4.915 0.129 -0.324 1.00 0.00 O ATOM 743 CB LEU A 53 -2.999 2.648 -1.533 1.00 0.00 C ATOM 744 CG LEU A 53 -1.709 3.277 -1.004 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.694 3.477 -2.131 1.00 0.00 C ATOM 746 CD2 LEU A 53 -2.000 4.580 -0.257 1.00 0.00 C ATOM 0 H LEU A 53 -3.898 1.305 -3.407 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.031 0.780 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.141 2.971 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.835 3.044 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.263 2.588 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.214 3.926 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.454 2.513 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.118 4.135 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.066 5.006 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.482 5.287 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.660 4.376 0.586 1.00 0.00 H new ATOM 758 N ARG A 54 -3.048 0.605 0.862 1.00 0.00 N ATOM 759 CA ARG A 54 -3.588 0.113 2.118 1.00 0.00 C ATOM 760 C ARG A 54 -2.554 0.268 3.236 1.00 0.00 C ATOM 761 O ARG A 54 -1.353 0.313 2.974 1.00 0.00 O ATOM 762 CB ARG A 54 -3.991 -1.359 2.006 1.00 0.00 C ATOM 763 CG ARG A 54 -2.758 -2.264 1.973 1.00 0.00 C ATOM 764 CD ARG A 54 -2.016 -2.134 0.641 1.00 0.00 C ATOM 765 NE ARG A 54 -1.833 -3.469 0.031 1.00 0.00 N ATOM 766 CZ ARG A 54 -1.061 -4.433 0.550 1.00 0.00 C ATOM 767 NH1 ARG A 54 -0.396 -4.216 1.693 1.00 0.00 N ATOM 768 NH2 ARG A 54 -0.955 -5.615 -0.073 1.00 0.00 N ATOM 0 H ARG A 54 -2.097 0.969 0.920 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.474 0.703 2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.624 -1.632 2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.582 -1.510 1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.089 -2.003 2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.059 -3.300 2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.577 -1.490 -0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.047 -1.662 0.800 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.326 -3.668 -0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.478 -3.317 2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.192 -4.950 2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.462 -5.781 -0.942 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.367 -6.349 0.322 1.00 0.00 H new ATOM 782 N VAL A 55 -3.059 0.344 4.458 1.00 0.00 N ATOM 783 CA VAL A 55 -2.195 0.493 5.617 1.00 0.00 C ATOM 784 C VAL A 55 -1.315 -0.751 5.754 1.00 0.00 C ATOM 785 O VAL A 55 -1.821 -1.858 5.932 1.00 0.00 O ATOM 786 CB VAL A 55 -3.036 0.771 6.865 1.00 0.00 C ATOM 787 CG1 VAL A 55 -2.172 0.734 8.127 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.772 2.106 6.743 1.00 0.00 C ATOM 0 H VAL A 55 -4.056 0.305 4.671 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.532 1.349 5.492 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.784 -0.017 6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.794 0.935 9.000 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.715 -0.250 8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.391 1.491 8.056 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.362 2.280 7.643 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.047 2.911 6.623 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.432 2.080 5.876 1.00 0.00 H new ATOM 798 N GLY A 56 -0.012 -0.528 5.667 1.00 0.00 N ATOM 799 CA GLY A 56 0.944 -1.617 5.779 1.00 0.00 C ATOM 800 C GLY A 56 1.978 -1.558 4.653 1.00 0.00 C ATOM 801 O GLY A 56 3.100 -2.037 4.809 1.00 0.00 O ATOM 0 H GLY A 56 0.405 0.391 5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.449 -1.565 6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.419 -2.571 5.745 1.00 0.00 H new ATOM 805 N ASP A 57 1.563 -0.965 3.543 1.00 0.00 N ATOM 806 CA ASP A 57 2.439 -0.837 2.391 1.00 0.00 C ATOM 807 C ASP A 57 3.708 -0.088 2.801 1.00 0.00 C ATOM 808 O ASP A 57 3.861 0.292 3.961 1.00 0.00 O ATOM 809 CB ASP A 57 1.763 -0.044 1.270 1.00 0.00 C ATOM 810 CG ASP A 57 1.166 -0.893 0.146 1.00 0.00 C ATOM 811 OD1 ASP A 57 1.306 -2.132 0.235 1.00 0.00 O ATOM 812 OD2 ASP A 57 0.583 -0.284 -0.776 1.00 0.00 O ATOM 0 H ASP A 57 0.632 -0.568 3.417 1.00 0.00 H new ATOM 0 HA ASP A 57 2.673 -1.839 2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.971 0.566 1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.493 0.641 0.839 1.00 0.00 H new ATOM 817 N GLN A 58 4.586 0.102 1.827 1.00 0.00 N ATOM 818 CA GLN A 58 5.837 0.799 2.073 1.00 0.00 C ATOM 819 C GLN A 58 6.151 1.750 0.916 1.00 0.00 C ATOM 820 O GLN A 58 6.468 1.307 -0.187 1.00 0.00 O ATOM 821 CB GLN A 58 6.982 -0.191 2.296 1.00 0.00 C ATOM 822 CG GLN A 58 8.297 0.543 2.565 1.00 0.00 C ATOM 823 CD GLN A 58 9.433 -0.447 2.830 1.00 0.00 C ATOM 824 OE1 GLN A 58 10.520 0.107 3.359 1.00 0.00 O flip ATOM 825 NE2 GLN A 58 9.329 -1.634 2.570 1.00 0.00 N flip ATOM 0 H GLN A 58 4.456 -0.215 0.866 1.00 0.00 H new ATOM 0 HA GLN A 58 5.729 1.389 2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.746 -0.842 3.138 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.091 -0.830 1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.549 1.171 1.710 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.179 1.205 3.423 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.465 -1.993 2.164 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.106 -2.267 2.758 1.00 0.00 H new ATOM 834 N ILE A 59 6.052 3.038 1.207 1.00 0.00 N ATOM 835 CA ILE A 59 6.321 4.055 0.205 1.00 0.00 C ATOM 836 C ILE A 59 7.829 4.139 -0.038 1.00 0.00 C ATOM 837 O ILE A 59 8.508 4.988 0.538 1.00 0.00 O ATOM 838 CB ILE A 59 5.688 5.388 0.610 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.206 5.212 0.946 1.00 0.00 C ATOM 840 CG2 ILE A 59 5.909 6.450 -0.470 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.376 5.007 -0.323 1.00 0.00 C ATOM 0 H ILE A 59 5.789 3.401 2.123 1.00 0.00 H new ATOM 0 HA ILE A 59 5.859 3.785 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 59 6.183 5.740 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.079 4.357 1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.845 6.089 1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.449 7.388 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.978 6.601 -0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.457 6.118 -1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.326 4.884 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.486 5.875 -0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.724 4.116 -0.845 1.00 0.00 H new ATOM 853 N LEU A 60 8.310 3.247 -0.891 1.00 0.00 N ATOM 854 CA LEU A 60 9.726 3.209 -1.217 1.00 0.00 C ATOM 855 C LEU A 60 10.139 4.548 -1.832 1.00 0.00 C ATOM 856 O LEU A 60 10.993 5.247 -1.290 1.00 0.00 O ATOM 857 CB LEU A 60 10.040 2.002 -2.103 1.00 0.00 C ATOM 858 CG LEU A 60 9.516 0.652 -1.607 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.694 -0.430 -2.674 1.00 0.00 C ATOM 860 CD2 LEU A 60 10.172 0.263 -0.281 1.00 0.00 C ATOM 0 H LEU A 60 7.744 2.544 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 60 10.322 3.075 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.628 2.187 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.122 1.930 -2.216 1.00 0.00 H new ATOM 0 HG LEU A 60 8.446 0.748 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.314 -1.379 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.143 -0.150 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.752 -0.533 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.782 -0.700 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.251 0.190 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.951 1.021 0.470 1.00 0.00 H new ATOM 872 N ARG A 61 9.513 4.864 -2.956 1.00 0.00 N ATOM 873 CA ARG A 61 9.805 6.106 -3.651 1.00 0.00 C ATOM 874 C ARG A 61 8.594 7.040 -3.600 1.00 0.00 C ATOM 875 O ARG A 61 7.480 6.603 -3.315 1.00 0.00 O ATOM 876 CB ARG A 61 10.177 5.845 -5.112 1.00 0.00 C ATOM 877 CG ARG A 61 11.675 5.568 -5.256 1.00 0.00 C ATOM 878 CD ARG A 61 11.976 4.852 -6.574 1.00 0.00 C ATOM 879 NE ARG A 61 12.404 3.460 -6.307 1.00 0.00 N ATOM 880 CZ ARG A 61 12.503 2.512 -7.248 1.00 0.00 C ATOM 881 NH1 ARG A 61 12.205 2.799 -8.523 1.00 0.00 N ATOM 882 NH2 ARG A 61 12.900 1.276 -6.915 1.00 0.00 N ATOM 0 H ARG A 61 8.805 4.281 -3.403 1.00 0.00 H new ATOM 0 HA ARG A 61 10.652 6.575 -3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.609 4.995 -5.489 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.903 6.707 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.228 6.507 -5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.018 4.958 -4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.090 4.853 -7.209 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.758 5.384 -7.116 1.00 0.00 H new ATOM 0 HE ARG A 61 12.638 3.207 -5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.903 3.740 -8.777 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.281 2.077 -9.239 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.127 1.057 -5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.975 0.554 -7.632 1.00 0.00 H new ATOM 896 N VAL A 62 8.854 8.309 -3.879 1.00 0.00 N ATOM 897 CA VAL A 62 7.799 9.309 -3.868 1.00 0.00 C ATOM 898 C VAL A 62 8.014 10.284 -5.027 1.00 0.00 C ATOM 899 O VAL A 62 8.993 11.028 -5.043 1.00 0.00 O ATOM 900 CB VAL A 62 7.750 10.002 -2.505 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.776 11.134 -2.428 1.00 0.00 C ATOM 902 CG2 VAL A 62 6.341 10.517 -2.202 1.00 0.00 C ATOM 0 H VAL A 62 9.779 8.668 -4.114 1.00 0.00 H new ATOM 0 HA VAL A 62 6.826 8.840 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 62 8.008 9.264 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.720 11.610 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.777 10.729 -2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.563 11.871 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.334 11.005 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.042 11.232 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.642 9.681 -2.194 1.00 0.00 H new ATOM 912 N ASN A 63 7.084 10.248 -5.969 1.00 0.00 N ATOM 913 CA ASN A 63 7.159 11.119 -7.129 1.00 0.00 C ATOM 914 C ASN A 63 8.312 10.666 -8.028 1.00 0.00 C ATOM 915 O ASN A 63 8.093 10.266 -9.170 1.00 0.00 O ATOM 916 CB ASN A 63 7.425 12.568 -6.714 1.00 0.00 C ATOM 917 CG ASN A 63 7.068 13.536 -7.844 1.00 0.00 C ATOM 918 OD1 ASN A 63 7.923 14.103 -8.503 1.00 0.00 O ATOM 919 ND2 ASN A 63 5.760 13.693 -8.029 1.00 0.00 N ATOM 0 H ASN A 63 6.274 9.629 -5.953 1.00 0.00 H new ATOM 0 HA ASN A 63 6.206 11.063 -7.654 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.841 12.809 -5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.475 12.687 -6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.420 14.319 -8.759 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.097 13.187 -7.441 1.00 0.00 H new ATOM 926 N ASP A 64 9.515 10.745 -7.478 1.00 0.00 N ATOM 927 CA ASP A 64 10.702 10.348 -8.215 1.00 0.00 C ATOM 928 C ASP A 64 11.819 10.004 -7.228 1.00 0.00 C ATOM 929 O ASP A 64 12.498 8.990 -7.381 1.00 0.00 O ATOM 930 CB ASP A 64 11.197 11.482 -9.114 1.00 0.00 C ATOM 931 CG ASP A 64 12.657 11.366 -9.557 1.00 0.00 C ATOM 932 OD1 ASP A 64 13.524 11.822 -8.781 1.00 0.00 O ATOM 933 OD2 ASP A 64 12.873 10.823 -10.662 1.00 0.00 O ATOM 0 H ASP A 64 9.693 11.078 -6.530 1.00 0.00 H new ATOM 0 HA ASP A 64 10.444 9.487 -8.831 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.566 11.523 -10.002 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.067 12.427 -8.586 1.00 0.00 H new ATOM 938 N LYS A 65 11.976 10.869 -6.236 1.00 0.00 N ATOM 939 CA LYS A 65 12.999 10.670 -5.224 1.00 0.00 C ATOM 940 C LYS A 65 12.648 9.439 -4.386 1.00 0.00 C ATOM 941 O LYS A 65 11.487 9.038 -4.321 1.00 0.00 O ATOM 942 CB LYS A 65 13.189 11.944 -4.397 1.00 0.00 C ATOM 943 CG LYS A 65 14.186 12.890 -5.070 1.00 0.00 C ATOM 944 CD LYS A 65 14.810 13.845 -4.050 1.00 0.00 C ATOM 945 CE LYS A 65 14.450 15.297 -4.368 1.00 0.00 C ATOM 946 NZ LYS A 65 15.644 16.037 -4.834 1.00 0.00 N ATOM 0 H LYS A 65 11.411 11.709 -6.112 1.00 0.00 H new ATOM 0 HA LYS A 65 13.964 10.474 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.230 12.448 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.544 11.685 -3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.970 12.311 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.681 13.462 -5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.462 13.591 -3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.894 13.727 -4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.675 15.326 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.040 15.779 -3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.382 17.021 -5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.372 16.025 -4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.018 15.586 -5.693 1.00 0.00 H new ATOM 960 N SER A 66 13.673 8.875 -3.765 1.00 0.00 N ATOM 961 CA SER A 66 13.488 7.698 -2.933 1.00 0.00 C ATOM 962 C SER A 66 13.716 8.054 -1.463 1.00 0.00 C ATOM 963 O SER A 66 14.778 8.560 -1.101 1.00 0.00 O ATOM 964 CB SER A 66 14.430 6.569 -3.358 1.00 0.00 C ATOM 965 OG SER A 66 15.795 6.977 -3.336 1.00 0.00 O ATOM 0 H SER A 66 14.634 9.211 -3.821 1.00 0.00 H new ATOM 0 HA SER A 66 12.464 7.348 -3.060 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.296 5.715 -2.694 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.167 6.236 -4.362 1.00 0.00 H new ATOM 0 HG SER A 66 15.938 7.600 -2.593 1.00 0.00 H new ATOM 971 N LEU A 67 12.703 7.777 -0.655 1.00 0.00 N ATOM 972 CA LEU A 67 12.780 8.062 0.767 1.00 0.00 C ATOM 973 C LEU A 67 13.497 6.911 1.476 1.00 0.00 C ATOM 974 O LEU A 67 12.996 6.378 2.465 1.00 0.00 O ATOM 975 CB LEU A 67 11.389 8.360 1.330 1.00 0.00 C ATOM 976 CG LEU A 67 10.418 9.064 0.380 1.00 0.00 C ATOM 977 CD1 LEU A 67 11.148 10.088 -0.491 1.00 0.00 C ATOM 978 CD2 LEU A 67 9.639 8.049 -0.459 1.00 0.00 C ATOM 0 H LEU A 67 11.824 7.358 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 67 13.369 8.962 0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.938 7.420 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.504 8.976 2.222 1.00 0.00 H new ATOM 0 HG LEU A 67 9.691 9.612 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.435 10.574 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.619 10.837 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.912 9.584 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.956 8.576 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.336 7.454 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.069 7.393 0.200 1.00 0.00 H new ATOM 990 N ALA A 68 14.658 6.561 0.942 1.00 0.00 N ATOM 991 CA ALA A 68 15.449 5.483 1.511 1.00 0.00 C ATOM 992 C ALA A 68 15.652 5.740 3.006 1.00 0.00 C ATOM 993 O ALA A 68 15.272 4.917 3.838 1.00 0.00 O ATOM 994 CB ALA A 68 16.773 5.367 0.754 1.00 0.00 C ATOM 0 H ALA A 68 15.070 7.005 0.121 1.00 0.00 H new ATOM 0 HA ALA A 68 14.930 4.530 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.366 4.558 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.574 5.156 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.323 6.304 0.838 1.00 0.00 H new ATOM 1000 N ARG A 69 16.251 6.884 3.301 1.00 0.00 N ATOM 1001 CA ARG A 69 16.510 7.259 4.681 1.00 0.00 C ATOM 1002 C ARG A 69 16.316 8.765 4.867 1.00 0.00 C ATOM 1003 O ARG A 69 17.285 9.522 4.885 1.00 0.00 O ATOM 1004 CB ARG A 69 17.933 6.880 5.097 1.00 0.00 C ATOM 1005 CG ARG A 69 17.961 5.503 5.764 1.00 0.00 C ATOM 1006 CD ARG A 69 19.323 4.832 5.578 1.00 0.00 C ATOM 1007 NE ARG A 69 19.880 4.445 6.894 1.00 0.00 N ATOM 1008 CZ ARG A 69 21.157 4.092 7.094 1.00 0.00 C ATOM 1009 NH1 ARG A 69 22.017 4.074 6.066 1.00 0.00 N ATOM 1010 NH2 ARG A 69 21.575 3.757 8.322 1.00 0.00 N ATOM 0 H ARG A 69 16.565 7.564 2.608 1.00 0.00 H new ATOM 0 HA ARG A 69 15.803 6.718 5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 69 18.583 6.877 4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 69 18.326 7.629 5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 69 17.744 5.605 6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 69 17.180 4.873 5.339 1.00 0.00 H new ATOM 0 HD2 ARG A 69 19.220 3.951 4.944 1.00 0.00 H new ATOM 0 HD3 ARG A 69 20.007 5.512 5.070 1.00 0.00 H new ATOM 0 HE ARG A 69 19.253 4.447 7.698 1.00 0.00 H new ATOM 0 HH11 ARG A 69 21.699 4.329 5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 69 22.989 3.805 6.219 1.00 0.00 H new ATOM 0 HH21 ARG A 69 20.921 3.771 9.105 1.00 0.00 H new ATOM 0 HH22 ARG A 69 22.547 3.488 8.474 1.00 0.00 H new ATOM 1024 N VAL A 70 15.056 9.155 5.000 1.00 0.00 N ATOM 1025 CA VAL A 70 14.722 10.557 5.184 1.00 0.00 C ATOM 1026 C VAL A 70 13.665 10.685 6.282 1.00 0.00 C ATOM 1027 O VAL A 70 12.901 9.752 6.525 1.00 0.00 O ATOM 1028 CB VAL A 70 14.279 11.168 3.853 1.00 0.00 C ATOM 1029 CG1 VAL A 70 15.417 11.140 2.831 1.00 0.00 C ATOM 1030 CG2 VAL A 70 13.037 10.459 3.311 1.00 0.00 C ATOM 0 H VAL A 70 14.255 8.524 4.984 1.00 0.00 H new ATOM 0 HA VAL A 70 15.598 11.119 5.509 1.00 0.00 H new ATOM 0 HB VAL A 70 14.017 12.211 4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.076 11.580 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 70 16.263 11.711 3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.724 10.109 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.743 10.913 2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.260 9.404 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.221 10.555 4.028 1.00 0.00 H new ATOM 1040 N THR A 71 13.655 11.848 6.917 1.00 0.00 N ATOM 1041 CA THR A 71 12.704 12.111 7.984 1.00 0.00 C ATOM 1042 C THR A 71 11.271 12.001 7.459 1.00 0.00 C ATOM 1043 O THR A 71 11.057 11.788 6.267 1.00 0.00 O ATOM 1044 CB THR A 71 13.029 13.481 8.581 1.00 0.00 C ATOM 1045 OG1 THR A 71 13.452 14.256 7.462 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.256 13.445 9.494 1.00 0.00 C ATOM 0 H THR A 71 14.291 12.619 6.713 1.00 0.00 H new ATOM 0 HA THR A 71 12.784 11.368 8.778 1.00 0.00 H new ATOM 0 HB THR A 71 12.169 13.846 9.143 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.681 15.161 7.759 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.443 14.443 9.891 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.077 12.754 10.318 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.124 13.113 8.924 1.00 0.00 H new ATOM 1054 N HIS A 72 10.326 12.151 8.376 1.00 0.00 N ATOM 1055 CA HIS A 72 8.919 12.072 8.022 1.00 0.00 C ATOM 1056 C HIS A 72 8.520 13.315 7.224 1.00 0.00 C ATOM 1057 O HIS A 72 7.694 13.236 6.317 1.00 0.00 O ATOM 1058 CB HIS A 72 8.056 11.864 9.267 1.00 0.00 C ATOM 1059 CG HIS A 72 6.637 11.441 8.968 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.534 12.147 9.416 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.155 10.380 8.261 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.442 11.528 8.992 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.828 10.433 8.277 1.00 0.00 N ATOM 0 H HIS A 72 10.508 12.327 9.364 1.00 0.00 H new ATOM 0 HA HIS A 72 8.749 11.204 7.385 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.524 11.109 9.899 1.00 0.00 H new ATOM 0 HB3 HIS A 72 8.035 12.791 9.841 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.558 12.999 9.977 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.751 9.624 7.771 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.424 11.837 9.180 1.00 0.00 H new ATOM 1071 N ALA A 73 9.127 14.435 7.591 1.00 0.00 N ATOM 1072 CA ALA A 73 8.845 15.693 6.922 1.00 0.00 C ATOM 1073 C ALA A 73 9.378 15.633 5.489 1.00 0.00 C ATOM 1074 O ALA A 73 8.755 16.162 4.569 1.00 0.00 O ATOM 1075 CB ALA A 73 9.454 16.845 7.723 1.00 0.00 C ATOM 0 H ALA A 73 9.813 14.497 8.343 1.00 0.00 H new ATOM 0 HA ALA A 73 7.770 15.867 6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.242 17.789 7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.022 16.861 8.723 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.533 16.707 7.796 1.00 0.00 H new ATOM 1081 N GLU A 74 10.524 14.985 5.344 1.00 0.00 N ATOM 1082 CA GLU A 74 11.147 14.849 4.038 1.00 0.00 C ATOM 1083 C GLU A 74 10.177 14.196 3.052 1.00 0.00 C ATOM 1084 O GLU A 74 9.840 14.784 2.025 1.00 0.00 O ATOM 1085 CB GLU A 74 12.451 14.054 4.133 1.00 0.00 C ATOM 1086 CG GLU A 74 13.639 14.979 4.403 1.00 0.00 C ATOM 1087 CD GLU A 74 13.848 15.956 3.244 1.00 0.00 C ATOM 1088 OE1 GLU A 74 14.370 15.499 2.205 1.00 0.00 O ATOM 1089 OE2 GLU A 74 13.481 17.137 3.424 1.00 0.00 O ATOM 0 H GLU A 74 11.038 14.548 6.109 1.00 0.00 H new ATOM 0 HA GLU A 74 11.393 15.845 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.373 13.315 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.616 13.506 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.470 15.534 5.325 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.541 14.385 4.550 1.00 0.00 H new ATOM 1096 N ALA A 75 9.755 12.989 3.399 1.00 0.00 N ATOM 1097 CA ALA A 75 8.830 12.249 2.556 1.00 0.00 C ATOM 1098 C ALA A 75 7.610 13.122 2.258 1.00 0.00 C ATOM 1099 O ALA A 75 7.135 13.165 1.123 1.00 0.00 O ATOM 1100 CB ALA A 75 8.453 10.935 3.244 1.00 0.00 C ATOM 0 H ALA A 75 10.036 12.505 4.252 1.00 0.00 H new ATOM 0 HA ALA A 75 9.296 11.997 1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.759 10.380 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.351 10.339 3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.980 11.149 4.202 1.00 0.00 H new ATOM 1106 N VAL A 76 7.136 13.797 3.295 1.00 0.00 N ATOM 1107 CA VAL A 76 5.980 14.666 3.158 1.00 0.00 C ATOM 1108 C VAL A 76 6.273 15.734 2.102 1.00 0.00 C ATOM 1109 O VAL A 76 5.574 15.822 1.093 1.00 0.00 O ATOM 1110 CB VAL A 76 5.606 15.258 4.518 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.463 16.265 4.382 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.248 14.154 5.516 1.00 0.00 C ATOM 0 H VAL A 76 7.532 13.759 4.234 1.00 0.00 H new ATOM 0 HA VAL A 76 5.114 14.099 2.816 1.00 0.00 H new ATOM 0 HB VAL A 76 6.476 15.789 4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.217 16.671 5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.769 17.076 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.587 15.767 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.986 14.601 6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.400 13.583 5.138 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.103 13.490 5.647 1.00 0.00 H new ATOM 1122 N LYS A 77 7.307 16.518 2.370 1.00 0.00 N ATOM 1123 CA LYS A 77 7.700 17.576 1.455 1.00 0.00 C ATOM 1124 C LYS A 77 7.986 16.973 0.078 1.00 0.00 C ATOM 1125 O LYS A 77 7.960 17.679 -0.930 1.00 0.00 O ATOM 1126 CB LYS A 77 8.871 18.374 2.031 1.00 0.00 C ATOM 1127 CG LYS A 77 8.372 19.506 2.932 1.00 0.00 C ATOM 1128 CD LYS A 77 8.216 19.029 4.377 1.00 0.00 C ATOM 1129 CE LYS A 77 7.667 20.145 5.267 1.00 0.00 C ATOM 1130 NZ LYS A 77 8.388 20.181 6.559 1.00 0.00 N ATOM 0 H LYS A 77 7.884 16.442 3.207 1.00 0.00 H new ATOM 0 HA LYS A 77 6.888 18.291 1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.522 17.711 2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.469 18.787 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.072 20.341 2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.416 19.875 2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.546 18.170 4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.181 18.695 4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.768 21.105 4.761 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.603 19.988 5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.344 21.142 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.945 19.513 7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.382 19.913 6.410 1.00 0.00 H new ATOM 1144 N ALA A 78 8.252 15.675 0.079 1.00 0.00 N ATOM 1145 CA ALA A 78 8.543 14.970 -1.158 1.00 0.00 C ATOM 1146 C ALA A 78 7.230 14.534 -1.812 1.00 0.00 C ATOM 1147 O ALA A 78 7.170 14.342 -3.025 1.00 0.00 O ATOM 1148 CB ALA A 78 9.470 13.789 -0.867 1.00 0.00 C ATOM 0 H ALA A 78 8.272 15.093 0.917 1.00 0.00 H new ATOM 0 HA ALA A 78 9.060 15.624 -1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.688 13.260 -1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.399 14.155 -0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.984 13.109 -0.168 1.00 0.00 H new ATOM 1154 N LEU A 79 6.210 14.391 -0.978 1.00 0.00 N ATOM 1155 CA LEU A 79 4.902 13.981 -1.460 1.00 0.00 C ATOM 1156 C LEU A 79 4.262 15.137 -2.232 1.00 0.00 C ATOM 1157 O LEU A 79 3.996 15.018 -3.427 1.00 0.00 O ATOM 1158 CB LEU A 79 4.043 13.464 -0.304 1.00 0.00 C ATOM 1159 CG LEU A 79 4.156 11.968 -0.001 1.00 0.00 C ATOM 1160 CD1 LEU A 79 3.716 11.664 1.432 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.379 11.141 -1.027 1.00 0.00 C ATOM 0 H LEU A 79 6.263 14.552 0.028 1.00 0.00 H new ATOM 0 HA LEU A 79 4.997 13.147 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.309 14.018 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.000 13.693 -0.522 1.00 0.00 H new ATOM 0 HG LEU A 79 5.204 11.681 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.806 10.594 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.349 12.211 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.679 11.970 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.476 10.082 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.327 11.424 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.780 11.327 -2.023 1.00 0.00 H new ATOM 1257 N LEU A 85 1.386 12.492 -8.899 1.00 0.00 N ATOM 1258 CA LEU A 85 2.183 11.879 -7.850 1.00 0.00 C ATOM 1259 C LEU A 85 2.082 10.357 -7.962 1.00 0.00 C ATOM 1260 O LEU A 85 1.015 9.784 -7.744 1.00 0.00 O ATOM 1261 CB LEU A 85 1.775 12.423 -6.480 1.00 0.00 C ATOM 1262 CG LEU A 85 2.431 11.755 -5.270 1.00 0.00 C ATOM 1263 CD1 LEU A 85 3.898 11.425 -5.555 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.271 12.615 -4.015 1.00 0.00 C ATOM 0 HA LEU A 85 3.235 12.139 -7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.005 13.488 -6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.694 12.328 -6.381 1.00 0.00 H new ATOM 0 HG LEU A 85 1.919 10.812 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.341 10.951 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.960 10.746 -6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.440 12.343 -5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.746 12.117 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.742 13.585 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.211 12.757 -3.804 1.00 0.00 H new ATOM 1276 N VAL A 86 3.206 9.744 -8.302 1.00 0.00 N ATOM 1277 CA VAL A 86 3.258 8.299 -8.446 1.00 0.00 C ATOM 1278 C VAL A 86 3.825 7.684 -7.165 1.00 0.00 C ATOM 1279 O VAL A 86 5.037 7.692 -6.952 1.00 0.00 O ATOM 1280 CB VAL A 86 4.059 7.925 -9.695 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.395 6.432 -9.704 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.310 8.326 -10.967 1.00 0.00 C ATOM 0 H VAL A 86 4.089 10.222 -8.482 1.00 0.00 H new ATOM 0 HA VAL A 86 2.256 7.893 -8.586 1.00 0.00 H new ATOM 0 HB VAL A 86 4.997 8.479 -9.670 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.964 6.193 -10.602 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.988 6.187 -8.823 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.473 5.851 -9.694 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.901 8.049 -11.840 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.350 7.812 -11.001 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.145 9.403 -10.968 1.00 0.00 H new ATOM 1292 N LEU A 87 2.923 7.164 -6.346 1.00 0.00 N ATOM 1293 CA LEU A 87 3.318 6.546 -5.092 1.00 0.00 C ATOM 1294 C LEU A 87 3.959 5.187 -5.378 1.00 0.00 C ATOM 1295 O LEU A 87 3.332 4.314 -5.975 1.00 0.00 O ATOM 1296 CB LEU A 87 2.129 6.475 -4.131 1.00 0.00 C ATOM 1297 CG LEU A 87 1.431 7.802 -3.828 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.452 8.920 -3.608 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.423 8.154 -4.923 1.00 0.00 C ATOM 0 H LEU A 87 1.919 7.158 -6.527 1.00 0.00 H new ATOM 0 HA LEU A 87 4.069 7.154 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.393 5.787 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.473 6.045 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 87 0.871 7.689 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.930 9.853 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.096 8.664 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.058 9.041 -4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.059 9.102 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.940 8.242 -5.879 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.331 7.370 -4.989 1.00 0.00 H new ATOM 1311 N SER A 88 5.202 5.050 -4.939 1.00 0.00 N ATOM 1312 CA SER A 88 5.935 3.812 -5.141 1.00 0.00 C ATOM 1313 C SER A 88 5.811 2.923 -3.903 1.00 0.00 C ATOM 1314 O SER A 88 6.450 3.179 -2.883 1.00 0.00 O ATOM 1315 CB SER A 88 7.408 4.088 -5.451 1.00 0.00 C ATOM 1316 OG SER A 88 7.620 4.363 -6.833 1.00 0.00 O ATOM 0 H SER A 88 5.720 5.776 -4.444 1.00 0.00 H new ATOM 0 HA SER A 88 5.502 3.294 -5.997 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.751 4.934 -4.856 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.008 3.227 -5.156 1.00 0.00 H new ATOM 0 HG SER A 88 8.449 3.932 -7.129 1.00 0.00 H new ATOM 1322 N VAL A 89 4.985 1.895 -4.032 1.00 0.00 N ATOM 1323 CA VAL A 89 4.770 0.966 -2.936 1.00 0.00 C ATOM 1324 C VAL A 89 5.212 -0.435 -3.365 1.00 0.00 C ATOM 1325 O VAL A 89 5.105 -0.792 -4.537 1.00 0.00 O ATOM 1326 CB VAL A 89 3.308 1.018 -2.485 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.116 2.046 -1.367 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.381 1.312 -3.666 1.00 0.00 C ATOM 0 H VAL A 89 4.457 1.685 -4.879 1.00 0.00 H new ATOM 0 HA VAL A 89 5.374 1.248 -2.073 1.00 0.00 H new ATOM 0 HB VAL A 89 3.044 0.038 -2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.069 2.063 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.736 1.774 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.406 3.033 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.348 1.344 -3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.646 2.274 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.488 0.528 -4.416 1.00 0.00 H new ATOM 1338 N TYR A 90 5.701 -1.190 -2.393 1.00 0.00 N ATOM 1339 CA TYR A 90 6.161 -2.543 -2.655 1.00 0.00 C ATOM 1340 C TYR A 90 5.121 -3.572 -2.208 1.00 0.00 C ATOM 1341 O TYR A 90 4.680 -3.556 -1.060 1.00 0.00 O ATOM 1342 CB TYR A 90 7.432 -2.726 -1.823 1.00 0.00 C ATOM 1343 CG TYR A 90 7.705 -4.175 -1.414 1.00 0.00 C ATOM 1344 CD1 TYR A 90 7.881 -5.143 -2.382 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.776 -4.513 -0.078 1.00 0.00 C ATOM 1346 CE1 TYR A 90 8.138 -6.507 -1.997 1.00 0.00 C ATOM 1347 CE2 TYR A 90 8.034 -5.877 0.306 1.00 0.00 C ATOM 1348 CZ TYR A 90 8.202 -6.806 -0.672 1.00 0.00 C ATOM 1349 OH TYR A 90 8.445 -8.094 -0.309 1.00 0.00 O ATOM 0 H TYR A 90 5.789 -0.890 -1.422 1.00 0.00 H new ATOM 0 HA TYR A 90 6.335 -2.689 -3.721 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.283 -2.353 -2.392 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.357 -2.114 -0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.826 -4.878 -3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.638 -3.755 0.679 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.277 -7.275 -2.744 1.00 0.00 H new ATOM 0 HE2 TYR A 90 8.093 -6.155 1.348 1.00 0.00 H new ATOM 0 HH TYR A 90 8.464 -8.160 0.669 1.00 0.00 H new ATOM 1359 N SER A 91 4.758 -4.443 -3.139 1.00 0.00 N ATOM 1360 CA SER A 91 3.778 -5.477 -2.855 1.00 0.00 C ATOM 1361 C SER A 91 4.427 -6.607 -2.052 1.00 0.00 C ATOM 1362 O SER A 91 5.555 -7.006 -2.336 1.00 0.00 O ATOM 1363 CB SER A 91 3.167 -6.026 -4.145 1.00 0.00 C ATOM 1364 OG SER A 91 1.998 -6.802 -3.895 1.00 0.00 O ATOM 0 H SER A 91 5.125 -4.453 -4.090 1.00 0.00 H new ATOM 0 HA SER A 91 2.976 -5.035 -2.265 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.917 -5.198 -4.809 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.905 -6.639 -4.663 1.00 0.00 H new ATOM 0 HG SER A 91 1.637 -7.133 -4.744 1.00 0.00 H new