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 -105:sc= 1.06 USER MOD Set 1.2: A 58 GLN :FLIP amide:sc= -2.6! C(o=-7.6!,f=-1.5!) 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 USER MOD Single : A 33 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 40 SER OG : rot 13:sc= -2.45! USER MOD Single : A 46 SER OG : rot -122:sc= 1.02 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= -1.93! C(o=-3.4!,f=-1.9!) 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= -0.0226 USER MOD Single : A 72 HIS : no HE2:sc= -0.573 K(o=-0.57,f=-3) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 130:sc= -1.54! 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 6.718 -3.961 -7.196 1.00 0.00 N ATOM 82 CA VAL A 9 6.057 -2.824 -6.577 1.00 0.00 C ATOM 83 C VAL A 9 4.999 -2.271 -7.534 1.00 0.00 C ATOM 84 O VAL A 9 5.142 -2.379 -8.751 1.00 0.00 O ATOM 85 CB VAL A 9 7.093 -1.778 -6.162 1.00 0.00 C ATOM 86 CG1 VAL A 9 8.266 -2.431 -5.426 1.00 0.00 C ATOM 87 CG2 VAL A 9 7.581 -0.980 -7.372 1.00 0.00 C ATOM 0 HA VAL A 9 5.543 -3.131 -5.666 1.00 0.00 H new ATOM 0 HB VAL A 9 6.611 -1.083 -5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.988 -1.666 -5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.899 -2.934 -4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.746 -3.158 -6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.317 -0.243 -7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.038 -1.657 -8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.737 -0.470 -7.836 1.00 0.00 H new ATOM 97 N ARG A 10 3.963 -1.690 -6.948 1.00 0.00 N ATOM 98 CA ARG A 10 2.882 -1.120 -7.734 1.00 0.00 C ATOM 99 C ARG A 10 3.028 0.401 -7.812 1.00 0.00 C ATOM 100 O ARG A 10 3.673 1.011 -6.960 1.00 0.00 O ATOM 101 CB ARG A 10 1.519 -1.464 -7.129 1.00 0.00 C ATOM 102 CG ARG A 10 1.513 -1.221 -5.618 1.00 0.00 C ATOM 103 CD ARG A 10 1.602 -2.541 -4.850 1.00 0.00 C ATOM 104 NE ARG A 10 0.328 -3.284 -4.973 1.00 0.00 N ATOM 105 CZ ARG A 10 -0.774 -3.010 -4.262 1.00 0.00 C ATOM 106 NH1 ARG A 10 -0.765 -2.007 -3.373 1.00 0.00 N ATOM 107 NH2 ARG A 10 -1.885 -3.737 -4.440 1.00 0.00 N ATOM 0 H ARG A 10 3.849 -1.602 -5.938 1.00 0.00 H new ATOM 0 HA ARG A 10 2.940 -1.547 -8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.744 -0.860 -7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.279 -2.507 -7.334 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.352 -0.581 -5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.603 -0.692 -5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.423 -3.143 -5.239 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.819 -2.346 -3.800 1.00 0.00 H new ATOM 0 HE ARG A 10 0.286 -4.053 -5.641 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.081 -1.453 -3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.604 -1.798 -2.831 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.892 -4.500 -5.117 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.724 -3.528 -3.898 1.00 0.00 H new ATOM 121 N LEU A 11 2.418 0.970 -8.841 1.00 0.00 N ATOM 122 CA LEU A 11 2.472 2.408 -9.042 1.00 0.00 C ATOM 123 C LEU A 11 1.102 3.014 -8.730 1.00 0.00 C ATOM 124 O LEU A 11 0.185 2.937 -9.547 1.00 0.00 O ATOM 125 CB LEU A 11 2.984 2.735 -10.446 1.00 0.00 C ATOM 126 CG LEU A 11 4.478 2.505 -10.686 1.00 0.00 C ATOM 127 CD1 LEU A 11 4.905 3.056 -12.048 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.312 3.089 -9.544 1.00 0.00 C ATOM 0 H LEU A 11 1.883 0.461 -9.545 1.00 0.00 H new ATOM 0 HA LEU A 11 3.186 2.862 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.424 2.135 -11.164 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.759 3.780 -10.659 1.00 0.00 H new ATOM 0 HG LEU A 11 4.661 1.431 -10.702 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.971 2.880 -12.194 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.343 2.554 -12.836 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.706 4.127 -12.086 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.370 2.912 -9.739 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.130 4.161 -9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.031 2.610 -8.606 1.00 0.00 H new ATOM 140 N VAL A 12 1.006 3.603 -7.547 1.00 0.00 N ATOM 141 CA VAL A 12 -0.236 4.222 -7.118 1.00 0.00 C ATOM 142 C VAL A 12 -0.202 5.713 -7.457 1.00 0.00 C ATOM 143 O VAL A 12 0.834 6.362 -7.317 1.00 0.00 O ATOM 144 CB VAL A 12 -0.468 3.952 -5.630 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.703 4.700 -5.123 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.586 2.451 -5.357 1.00 0.00 C ATOM 0 H VAL A 12 1.768 3.664 -6.872 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.083 3.788 -7.650 1.00 0.00 H new ATOM 0 HB VAL A 12 0.398 4.325 -5.083 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.845 4.491 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.564 5.772 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.581 4.371 -5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.751 2.287 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.425 2.043 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.333 1.952 -5.663 1.00 0.00 H new ATOM 156 N SER A 13 -1.348 6.214 -7.895 1.00 0.00 N ATOM 157 CA SER A 13 -1.462 7.617 -8.255 1.00 0.00 C ATOM 158 C SER A 13 -2.656 8.247 -7.535 1.00 0.00 C ATOM 159 O SER A 13 -3.799 7.855 -7.762 1.00 0.00 O ATOM 160 CB SER A 13 -1.605 7.788 -9.769 1.00 0.00 C ATOM 161 OG SER A 13 -0.666 6.993 -10.487 1.00 0.00 O ATOM 0 H SER A 13 -2.205 5.673 -8.009 1.00 0.00 H new ATOM 0 HA SER A 13 -0.549 8.125 -7.944 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.616 7.515 -10.071 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.466 8.837 -10.030 1.00 0.00 H new ATOM 0 HG SER A 13 -0.791 7.129 -11.449 1.00 0.00 H new ATOM 167 N LEU A 14 -2.349 9.213 -6.681 1.00 0.00 N ATOM 168 CA LEU A 14 -3.383 9.900 -5.926 1.00 0.00 C ATOM 169 C LEU A 14 -3.415 11.373 -6.339 1.00 0.00 C ATOM 170 O LEU A 14 -2.378 11.958 -6.647 1.00 0.00 O ATOM 171 CB LEU A 14 -3.182 9.687 -4.425 1.00 0.00 C ATOM 172 CG LEU A 14 -3.718 8.371 -3.857 1.00 0.00 C ATOM 173 CD1 LEU A 14 -5.193 8.180 -4.216 1.00 0.00 C ATOM 174 CD2 LEU A 14 -2.860 7.188 -4.308 1.00 0.00 C ATOM 0 H LEU A 14 -1.399 9.536 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.363 9.482 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.115 9.745 -4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.660 10.510 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.654 8.417 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.549 7.237 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.777 9.002 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.304 8.164 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.263 6.266 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.868 7.127 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.837 7.327 -3.960 1.00 0.00 H new ATOM 315 N LEU A 23 -3.400 13.266 -0.722 1.00 0.00 N ATOM 316 CA LEU A 23 -3.545 12.178 -1.673 1.00 0.00 C ATOM 317 C LEU A 23 -4.776 11.346 -1.307 1.00 0.00 C ATOM 318 O LEU A 23 -5.697 11.208 -2.110 1.00 0.00 O ATOM 319 CB LEU A 23 -2.253 11.362 -1.755 1.00 0.00 C ATOM 320 CG LEU A 23 -0.985 12.061 -1.260 1.00 0.00 C ATOM 321 CD1 LEU A 23 0.256 11.217 -1.553 1.00 0.00 C ATOM 322 CD2 LEU A 23 -0.872 13.470 -1.846 1.00 0.00 C ATOM 0 HA LEU A 23 -3.712 12.569 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.388 10.447 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.099 11.066 -2.793 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.053 12.167 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.143 11.737 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.169 10.254 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.342 11.058 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.038 13.945 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.836 13.410 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.737 14.060 -1.544 1.00 0.00 H new ATOM 334 N GLY A 24 -4.751 10.814 -0.094 1.00 0.00 N ATOM 335 CA GLY A 24 -5.853 10.000 0.389 1.00 0.00 C ATOM 336 C GLY A 24 -5.394 9.062 1.507 1.00 0.00 C ATOM 337 O GLY A 24 -6.203 8.614 2.318 1.00 0.00 O ATOM 0 H GLY A 24 -3.985 10.931 0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.652 10.644 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.266 9.416 -0.434 1.00 0.00 H new ATOM 341 N PHE A 25 -4.097 8.794 1.515 1.00 0.00 N ATOM 342 CA PHE A 25 -3.520 7.918 2.520 1.00 0.00 C ATOM 343 C PHE A 25 -2.513 8.671 3.392 1.00 0.00 C ATOM 344 O PHE A 25 -1.855 9.600 2.925 1.00 0.00 O ATOM 345 CB PHE A 25 -2.793 6.798 1.774 1.00 0.00 C ATOM 346 CG PHE A 25 -1.608 7.278 0.932 1.00 0.00 C ATOM 347 CD1 PHE A 25 -1.803 7.667 -0.356 1.00 0.00 C ATOM 348 CD2 PHE A 25 -0.361 7.315 1.473 1.00 0.00 C ATOM 349 CE1 PHE A 25 -0.704 8.112 -1.137 1.00 0.00 C ATOM 350 CE2 PHE A 25 0.738 7.760 0.692 1.00 0.00 C ATOM 351 CZ PHE A 25 0.544 8.149 -0.596 1.00 0.00 C ATOM 0 H PHE A 25 -3.429 9.168 0.841 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.305 7.531 3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.438 6.064 2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.504 6.287 1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.794 7.638 -0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.207 7.006 2.496 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.859 8.421 -2.160 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.729 7.789 1.121 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.380 8.487 -1.190 1.00 0.00 H new ATOM 361 N SER A 26 -2.423 8.243 4.642 1.00 0.00 N ATOM 362 CA SER A 26 -1.508 8.865 5.583 1.00 0.00 C ATOM 363 C SER A 26 -0.237 8.022 5.712 1.00 0.00 C ATOM 364 O SER A 26 -0.308 6.800 5.832 1.00 0.00 O ATOM 365 CB SER A 26 -2.165 9.048 6.953 1.00 0.00 C ATOM 366 OG SER A 26 -2.668 10.369 7.131 1.00 0.00 O ATOM 0 H SER A 26 -2.970 7.472 5.026 1.00 0.00 H new ATOM 0 HA SER A 26 -1.245 9.852 5.202 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.979 8.332 7.063 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.439 8.828 7.736 1.00 0.00 H new ATOM 0 HG SER A 26 -3.081 10.445 8.016 1.00 0.00 H new ATOM 372 N ILE A 27 0.896 8.709 5.683 1.00 0.00 N ATOM 373 CA ILE A 27 2.180 8.039 5.796 1.00 0.00 C ATOM 374 C ILE A 27 2.699 8.178 7.228 1.00 0.00 C ATOM 375 O ILE A 27 2.204 9.002 7.995 1.00 0.00 O ATOM 376 CB ILE A 27 3.152 8.562 4.736 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.572 10.002 5.040 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.560 8.422 3.332 1.00 0.00 C ATOM 379 CD1 ILE A 27 4.938 10.315 4.428 1.00 0.00 C ATOM 0 H ILE A 27 0.951 9.723 5.583 1.00 0.00 H new ATOM 0 HA ILE A 27 2.072 6.973 5.598 1.00 0.00 H new ATOM 0 HB ILE A 27 4.053 7.950 4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.826 10.693 4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.609 10.154 6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.271 8.801 2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.353 7.372 3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.634 8.994 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.213 11.344 4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.686 9.638 4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.890 10.186 3.347 1.00 0.00 H new ATOM 391 N ARG A 28 3.690 7.358 7.546 1.00 0.00 N ATOM 392 CA ARG A 28 4.282 7.379 8.873 1.00 0.00 C ATOM 393 C ARG A 28 5.720 6.858 8.822 1.00 0.00 C ATOM 394 O ARG A 28 6.125 6.240 7.838 1.00 0.00 O ATOM 395 CB ARG A 28 3.472 6.526 9.851 1.00 0.00 C ATOM 396 CG ARG A 28 3.377 5.077 9.367 1.00 0.00 C ATOM 397 CD ARG A 28 3.174 4.119 10.541 1.00 0.00 C ATOM 398 NE ARG A 28 3.261 2.718 10.072 1.00 0.00 N ATOM 399 CZ ARG A 28 3.301 1.654 10.886 1.00 0.00 C ATOM 400 NH1 ARG A 28 3.262 1.825 12.214 1.00 0.00 N ATOM 401 NH2 ARG A 28 3.379 0.419 10.371 1.00 0.00 N ATOM 0 H ARG A 28 4.098 6.675 6.908 1.00 0.00 H new ATOM 0 HA ARG A 28 4.279 8.412 9.221 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.938 6.554 10.836 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.471 6.943 9.960 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.549 4.978 8.665 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.286 4.810 8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.929 4.303 11.306 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.203 4.297 11.003 1.00 0.00 H new ATOM 0 HE ARG A 28 3.292 2.552 9.066 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.202 2.765 12.606 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.292 1.015 12.834 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.408 0.289 9.360 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.409 -0.391 10.990 1.00 0.00 H new ATOM 415 N GLY A 29 6.451 7.126 9.893 1.00 0.00 N ATOM 416 CA GLY A 29 7.835 6.691 9.983 1.00 0.00 C ATOM 417 C GLY A 29 8.791 7.880 9.872 1.00 0.00 C ATOM 418 O GLY A 29 8.456 8.991 10.280 1.00 0.00 O ATOM 0 H GLY A 29 6.111 7.639 10.707 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.997 6.176 10.930 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.047 5.974 9.190 1.00 0.00 H new ATOM 422 N GLY A 30 9.963 7.607 9.318 1.00 0.00 N ATOM 423 CA GLY A 30 10.971 8.640 9.149 1.00 0.00 C ATOM 424 C GLY A 30 12.344 8.147 9.608 1.00 0.00 C ATOM 425 O GLY A 30 12.439 7.233 10.426 1.00 0.00 O ATOM 0 H GLY A 30 10.237 6.685 8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.019 8.938 8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.689 9.525 9.720 1.00 0.00 H new ATOM 429 N SER A 31 13.376 8.774 9.061 1.00 0.00 N ATOM 430 CA SER A 31 14.740 8.411 9.404 1.00 0.00 C ATOM 431 C SER A 31 15.014 8.736 10.874 1.00 0.00 C ATOM 432 O SER A 31 15.887 8.130 11.495 1.00 0.00 O ATOM 433 CB SER A 31 15.745 9.133 8.504 1.00 0.00 C ATOM 434 OG SER A 31 16.054 10.437 8.989 1.00 0.00 O ATOM 0 H SER A 31 13.294 9.531 8.383 1.00 0.00 H new ATOM 0 HA SER A 31 14.858 7.339 9.248 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.660 8.545 8.437 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.340 9.208 7.495 1.00 0.00 H new ATOM 0 HG SER A 31 16.700 10.865 8.389 1.00 0.00 H new ATOM 440 N GLU A 32 14.253 9.691 11.388 1.00 0.00 N ATOM 441 CA GLU A 32 14.403 10.103 12.773 1.00 0.00 C ATOM 442 C GLU A 32 14.145 8.922 13.710 1.00 0.00 C ATOM 443 O GLU A 32 14.734 8.837 14.786 1.00 0.00 O ATOM 444 CB GLU A 32 13.476 11.275 13.100 1.00 0.00 C ATOM 445 CG GLU A 32 12.026 10.945 12.737 1.00 0.00 C ATOM 446 CD GLU A 32 11.050 11.798 13.549 1.00 0.00 C ATOM 447 OE1 GLU A 32 11.183 11.786 14.791 1.00 0.00 O ATOM 448 OE2 GLU A 32 10.192 12.444 12.908 1.00 0.00 O ATOM 0 H GLU A 32 13.531 10.191 10.870 1.00 0.00 H new ATOM 0 HA GLU A 32 15.429 10.441 12.921 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.544 11.512 14.162 1.00 0.00 H new ATOM 0 HB3 GLU A 32 13.799 12.162 12.554 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.866 11.116 11.673 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.832 9.888 12.922 1.00 0.00 H new ATOM 455 N HIS A 33 13.262 8.038 13.266 1.00 0.00 N ATOM 456 CA HIS A 33 12.919 6.865 14.051 1.00 0.00 C ATOM 457 C HIS A 33 13.857 5.712 13.689 1.00 0.00 C ATOM 458 O HIS A 33 13.916 4.709 14.399 1.00 0.00 O ATOM 459 CB HIS A 33 11.442 6.506 13.874 1.00 0.00 C ATOM 460 CG HIS A 33 10.514 7.239 14.814 1.00 0.00 C ATOM 461 ND1 HIS A 33 9.268 6.752 15.167 1.00 0.00 N ATOM 462 CD2 HIS A 33 10.665 8.425 15.469 1.00 0.00 C ATOM 463 CE1 HIS A 33 8.702 7.616 15.998 1.00 0.00 C ATOM 464 NE2 HIS A 33 9.569 8.652 16.183 1.00 0.00 N ATOM 0 H HIS A 33 12.775 8.111 12.373 1.00 0.00 H new ATOM 0 HA HIS A 33 13.057 7.080 15.111 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.147 6.722 12.847 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.319 5.433 14.022 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.529 9.070 15.416 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.726 7.517 16.449 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.403 9.467 16.773 1.00 0.00 H new ATOM 472 N GLY A 34 14.566 5.893 12.585 1.00 0.00 N ATOM 473 CA GLY A 34 15.499 4.880 12.120 1.00 0.00 C ATOM 474 C GLY A 34 14.849 3.978 11.070 1.00 0.00 C ATOM 475 O GLY A 34 15.495 3.078 10.534 1.00 0.00 O ATOM 0 H GLY A 34 14.514 6.726 11.999 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.381 5.360 11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.837 4.278 12.963 1.00 0.00 H new ATOM 479 N VAL A 35 13.579 4.249 10.807 1.00 0.00 N ATOM 480 CA VAL A 35 12.835 3.473 9.830 1.00 0.00 C ATOM 481 C VAL A 35 12.590 4.328 8.585 1.00 0.00 C ATOM 482 O VAL A 35 12.968 5.497 8.546 1.00 0.00 O ATOM 483 CB VAL A 35 11.543 2.944 10.456 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.744 2.623 11.938 1.00 0.00 C ATOM 485 CG2 VAL A 35 10.394 3.935 10.261 1.00 0.00 C ATOM 0 H VAL A 35 13.046 4.995 11.254 1.00 0.00 H new ATOM 0 HA VAL A 35 13.410 2.601 9.517 1.00 0.00 H new ATOM 0 HB VAL A 35 11.278 2.018 9.945 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.811 2.249 12.359 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.520 1.865 12.044 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.045 3.526 12.468 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.487 3.535 10.715 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.648 4.884 10.733 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.227 4.093 9.196 1.00 0.00 H new ATOM 495 N GLY A 36 11.958 3.710 7.597 1.00 0.00 N ATOM 496 CA GLY A 36 11.658 4.400 6.354 1.00 0.00 C ATOM 497 C GLY A 36 10.262 5.027 6.398 1.00 0.00 C ATOM 498 O GLY A 36 9.944 5.779 7.317 1.00 0.00 O ATOM 0 H GLY A 36 11.646 2.740 7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.403 5.175 6.175 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.720 3.700 5.521 1.00 0.00 H new ATOM 502 N ILE A 37 9.467 4.693 5.392 1.00 0.00 N ATOM 503 CA ILE A 37 8.113 5.213 5.304 1.00 0.00 C ATOM 504 C ILE A 37 7.139 4.054 5.084 1.00 0.00 C ATOM 505 O ILE A 37 7.499 3.041 4.487 1.00 0.00 O ATOM 506 CB ILE A 37 8.026 6.302 4.233 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.088 7.380 4.459 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.616 6.891 4.163 1.00 0.00 C ATOM 509 CD1 ILE A 37 8.689 8.309 5.608 1.00 0.00 C ATOM 0 H ILE A 37 9.735 4.069 4.631 1.00 0.00 H new ATOM 0 HA ILE A 37 7.828 5.695 6.239 1.00 0.00 H new ATOM 0 HB ILE A 37 8.232 5.846 3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.046 6.911 4.682 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.222 7.961 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.582 7.663 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.904 6.103 3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.356 7.328 5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.460 9.066 5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.742 8.795 5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.580 7.728 6.524 1.00 0.00 H new ATOM 521 N TYR A 38 5.924 4.242 5.578 1.00 0.00 N ATOM 522 CA TYR A 38 4.896 3.225 5.443 1.00 0.00 C ATOM 523 C TYR A 38 3.503 3.822 5.650 1.00 0.00 C ATOM 524 O TYR A 38 3.337 4.769 6.417 1.00 0.00 O ATOM 525 CB TYR A 38 5.168 2.201 6.546 1.00 0.00 C ATOM 526 CG TYR A 38 6.550 1.550 6.464 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.628 2.138 7.093 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.718 0.374 5.761 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.929 1.525 7.016 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.019 -0.239 5.684 1.00 0.00 C ATOM 531 CZ TYR A 38 9.060 0.367 6.315 1.00 0.00 C ATOM 532 OH TYR A 38 10.288 -0.212 6.242 1.00 0.00 O ATOM 0 H TYR A 38 5.629 5.084 6.072 1.00 0.00 H new ATOM 0 HA TYR A 38 4.922 2.783 4.447 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.065 2.690 7.515 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.407 1.422 6.500 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.496 3.058 7.643 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.874 -0.086 5.269 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.781 1.975 7.504 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.164 -1.159 5.138 1.00 0.00 H new ATOM 0 HH TYR A 38 10.670 -0.057 5.353 1.00 0.00 H new ATOM 542 N VAL A 39 2.536 3.245 4.952 1.00 0.00 N ATOM 543 CA VAL A 39 1.162 3.708 5.050 1.00 0.00 C ATOM 544 C VAL A 39 0.682 3.566 6.496 1.00 0.00 C ATOM 545 O VAL A 39 1.019 2.595 7.172 1.00 0.00 O ATOM 546 CB VAL A 39 0.283 2.954 4.051 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.166 3.441 4.119 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.837 3.078 2.630 1.00 0.00 C ATOM 0 H VAL A 39 2.677 2.460 4.316 1.00 0.00 H new ATOM 0 HA VAL A 39 1.095 4.764 4.788 1.00 0.00 H new ATOM 0 HB VAL A 39 0.295 1.899 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.770 2.889 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.558 3.277 5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.204 4.505 3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.193 2.533 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.870 4.129 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.843 2.661 2.594 1.00 0.00 H new ATOM 558 N SER A 40 -0.097 4.547 6.926 1.00 0.00 N ATOM 559 CA SER A 40 -0.626 4.543 8.279 1.00 0.00 C ATOM 560 C SER A 40 -2.151 4.419 8.244 1.00 0.00 C ATOM 561 O SER A 40 -2.742 3.745 9.087 1.00 0.00 O ATOM 562 CB SER A 40 -0.215 5.808 9.036 1.00 0.00 C ATOM 563 OG SER A 40 -0.360 6.979 8.237 1.00 0.00 O ATOM 0 H SER A 40 -0.375 5.350 6.362 1.00 0.00 H new ATOM 0 HA SER A 40 -0.209 3.685 8.806 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.822 5.906 9.936 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.822 5.716 9.360 1.00 0.00 H new ATOM 0 HG SER A 40 -0.882 6.766 7.436 1.00 0.00 H new ATOM 569 N LEU A 41 -2.744 5.079 7.260 1.00 0.00 N ATOM 570 CA LEU A 41 -4.188 5.050 7.104 1.00 0.00 C ATOM 571 C LEU A 41 -4.538 5.134 5.617 1.00 0.00 C ATOM 572 O LEU A 41 -3.809 5.746 4.838 1.00 0.00 O ATOM 573 CB LEU A 41 -4.841 6.144 7.952 1.00 0.00 C ATOM 574 CG LEU A 41 -6.354 6.301 7.795 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.970 6.951 9.036 1.00 0.00 C ATOM 576 CD2 LEU A 41 -6.697 7.069 6.517 1.00 0.00 C ATOM 0 H LEU A 41 -2.251 5.637 6.563 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.592 4.108 7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.624 5.941 9.001 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.370 7.096 7.707 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.791 5.307 7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.047 7.051 8.898 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.772 6.329 9.909 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.530 7.937 9.186 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.779 7.166 6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.246 8.060 6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.311 6.528 5.653 1.00 0.00 H new ATOM 588 N VAL A 42 -5.654 4.510 5.268 1.00 0.00 N ATOM 589 CA VAL A 42 -6.109 4.506 3.889 1.00 0.00 C ATOM 590 C VAL A 42 -7.617 4.759 3.853 1.00 0.00 C ATOM 591 O VAL A 42 -8.392 3.999 4.433 1.00 0.00 O ATOM 592 CB VAL A 42 -5.706 3.196 3.208 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.602 2.907 2.002 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.231 3.219 2.803 1.00 0.00 C ATOM 0 H VAL A 42 -6.256 4.004 5.917 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.631 5.309 3.327 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.842 2.389 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.294 1.971 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.638 2.826 2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.512 3.718 1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.971 2.276 2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.057 4.041 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.612 3.356 3.690 1.00 0.00 H new ATOM 604 N GLU A 43 -7.989 5.830 3.167 1.00 0.00 N ATOM 605 CA GLU A 43 -9.391 6.193 3.048 1.00 0.00 C ATOM 606 C GLU A 43 -10.144 5.141 2.231 1.00 0.00 C ATOM 607 O GLU A 43 -9.631 4.641 1.232 1.00 0.00 O ATOM 608 CB GLU A 43 -9.547 7.583 2.428 1.00 0.00 C ATOM 609 CG GLU A 43 -9.184 8.676 3.436 1.00 0.00 C ATOM 610 CD GLU A 43 -10.330 9.679 3.593 1.00 0.00 C ATOM 611 OE1 GLU A 43 -10.861 10.102 2.544 1.00 0.00 O ATOM 612 OE2 GLU A 43 -10.647 9.999 4.758 1.00 0.00 O ATOM 0 H GLU A 43 -7.344 6.458 2.688 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.823 6.227 4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.908 7.667 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.574 7.721 2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.956 8.224 4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.284 9.195 3.107 1.00 0.00 H new ATOM 619 N PRO A 44 -11.383 4.828 2.700 1.00 0.00 N ATOM 620 CA PRO A 44 -12.212 3.844 2.024 1.00 0.00 C ATOM 621 C PRO A 44 -12.806 4.420 0.737 1.00 0.00 C ATOM 622 O PRO A 44 -12.823 5.635 0.546 1.00 0.00 O ATOM 623 CB PRO A 44 -13.269 3.454 3.043 1.00 0.00 C ATOM 624 CG PRO A 44 -13.277 4.564 4.082 1.00 0.00 C ATOM 625 CD PRO A 44 -12.023 5.400 3.880 1.00 0.00 C ATOM 0 HA PRO A 44 -11.648 2.969 1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.247 3.353 2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.035 2.493 3.500 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.169 5.181 3.974 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.299 4.145 5.088 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.268 6.451 3.727 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.368 5.348 4.750 1.00 0.00 H new ATOM 633 N GLY A 45 -13.278 3.520 -0.113 1.00 0.00 N ATOM 634 CA GLY A 45 -13.872 3.923 -1.377 1.00 0.00 C ATOM 635 C GLY A 45 -13.105 5.095 -1.994 1.00 0.00 C ATOM 636 O GLY A 45 -13.682 5.909 -2.713 1.00 0.00 O ATOM 0 H GLY A 45 -13.261 2.513 0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.873 3.080 -2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.913 4.207 -1.220 1.00 0.00 H new ATOM 640 N SER A 46 -11.816 5.142 -1.690 1.00 0.00 N ATOM 641 CA SER A 46 -10.965 6.201 -2.206 1.00 0.00 C ATOM 642 C SER A 46 -10.131 5.678 -3.377 1.00 0.00 C ATOM 643 O SER A 46 -10.161 4.486 -3.682 1.00 0.00 O ATOM 644 CB SER A 46 -10.052 6.756 -1.111 1.00 0.00 C ATOM 645 OG SER A 46 -9.000 5.852 -0.783 1.00 0.00 O ATOM 0 H SER A 46 -11.341 4.465 -1.094 1.00 0.00 H new ATOM 0 HA SER A 46 -11.603 7.013 -2.556 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.626 7.704 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.642 6.965 -0.219 1.00 0.00 H new ATOM 0 HG SER A 46 -9.042 5.633 0.171 1.00 0.00 H new ATOM 651 N LEU A 47 -9.407 6.594 -4.002 1.00 0.00 N ATOM 652 CA LEU A 47 -8.566 6.241 -5.133 1.00 0.00 C ATOM 653 C LEU A 47 -7.430 5.334 -4.655 1.00 0.00 C ATOM 654 O LEU A 47 -7.132 4.321 -5.287 1.00 0.00 O ATOM 655 CB LEU A 47 -8.085 7.499 -5.858 1.00 0.00 C ATOM 656 CG LEU A 47 -7.195 7.270 -7.081 1.00 0.00 C ATOM 657 CD1 LEU A 47 -7.664 6.053 -7.880 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.119 8.529 -7.947 1.00 0.00 C ATOM 0 H LEU A 47 -9.385 7.581 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.137 5.676 -5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.959 8.070 -6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.538 8.118 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.184 7.057 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.014 5.913 -8.744 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.624 5.166 -7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.688 6.212 -8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.480 8.339 -8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.119 8.797 -8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.704 9.349 -7.361 1.00 0.00 H new ATOM 670 N ALA A 48 -6.827 5.731 -3.544 1.00 0.00 N ATOM 671 CA ALA A 48 -5.730 4.967 -2.975 1.00 0.00 C ATOM 672 C ALA A 48 -6.151 3.502 -2.841 1.00 0.00 C ATOM 673 O ALA A 48 -5.635 2.637 -3.548 1.00 0.00 O ATOM 674 CB ALA A 48 -5.323 5.581 -1.634 1.00 0.00 C ATOM 0 H ALA A 48 -7.077 6.571 -3.023 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.858 5.002 -3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.500 5.008 -1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.006 6.613 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.173 5.560 -0.951 1.00 0.00 H new ATOM 680 N GLU A 49 -7.083 3.267 -1.929 1.00 0.00 N ATOM 681 CA GLU A 49 -7.578 1.922 -1.694 1.00 0.00 C ATOM 682 C GLU A 49 -7.912 1.239 -3.021 1.00 0.00 C ATOM 683 O GLU A 49 -7.696 0.039 -3.178 1.00 0.00 O ATOM 684 CB GLU A 49 -8.794 1.940 -0.765 1.00 0.00 C ATOM 685 CG GLU A 49 -9.572 0.626 -0.856 1.00 0.00 C ATOM 686 CD GLU A 49 -10.570 0.658 -2.016 1.00 0.00 C ATOM 687 OE1 GLU A 49 -11.452 1.543 -1.981 1.00 0.00 O ATOM 688 OE2 GLU A 49 -10.427 -0.203 -2.911 1.00 0.00 O ATOM 0 H GLU A 49 -7.508 3.986 -1.344 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.793 1.348 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.469 2.104 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.446 2.772 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.878 -0.203 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.102 0.448 0.080 1.00 0.00 H new ATOM 695 N LYS A 50 -8.433 2.034 -3.944 1.00 0.00 N ATOM 696 CA LYS A 50 -8.799 1.522 -5.254 1.00 0.00 C ATOM 697 C LYS A 50 -7.529 1.173 -6.033 1.00 0.00 C ATOM 698 O LYS A 50 -7.518 0.223 -6.815 1.00 0.00 O ATOM 699 CB LYS A 50 -9.714 2.510 -5.980 1.00 0.00 C ATOM 700 CG LYS A 50 -11.150 2.412 -5.460 1.00 0.00 C ATOM 701 CD LYS A 50 -12.078 3.351 -6.233 1.00 0.00 C ATOM 702 CE LYS A 50 -12.580 2.690 -7.518 1.00 0.00 C ATOM 703 NZ LYS A 50 -13.610 3.533 -8.166 1.00 0.00 N ATOM 0 H LYS A 50 -8.611 3.030 -3.811 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.376 0.603 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.342 3.525 -5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.697 2.308 -7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.505 1.386 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.174 2.662 -4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.926 3.627 -5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.549 4.272 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.747 2.533 -8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.995 1.708 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.940 3.070 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.412 3.662 -7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.202 4.461 -8.400 1.00 0.00 H new ATOM 717 N GLU A 51 -6.491 1.959 -5.792 1.00 0.00 N ATOM 718 CA GLU A 51 -5.219 1.745 -6.462 1.00 0.00 C ATOM 719 C GLU A 51 -4.543 0.482 -5.925 1.00 0.00 C ATOM 720 O GLU A 51 -3.673 -0.088 -6.582 1.00 0.00 O ATOM 721 CB GLU A 51 -4.306 2.963 -6.308 1.00 0.00 C ATOM 722 CG GLU A 51 -4.738 4.094 -7.243 1.00 0.00 C ATOM 723 CD GLU A 51 -4.725 3.633 -8.703 1.00 0.00 C ATOM 724 OE1 GLU A 51 -3.611 3.567 -9.266 1.00 0.00 O ATOM 725 OE2 GLU A 51 -5.828 3.358 -9.221 1.00 0.00 O ATOM 0 H GLU A 51 -6.504 2.745 -5.142 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.410 1.608 -7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.329 3.311 -5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.276 2.680 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.739 4.432 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.070 4.947 -7.121 1.00 0.00 H new ATOM 732 N GLY A 52 -4.967 0.081 -4.735 1.00 0.00 N ATOM 733 CA GLY A 52 -4.414 -1.104 -4.103 1.00 0.00 C ATOM 734 C GLY A 52 -3.776 -0.759 -2.755 1.00 0.00 C ATOM 735 O GLY A 52 -3.579 -1.635 -1.915 1.00 0.00 O ATOM 0 H GLY A 52 -5.688 0.557 -4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.201 -1.844 -3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.668 -1.555 -4.758 1.00 0.00 H new ATOM 739 N LEU A 53 -3.472 0.520 -2.591 1.00 0.00 N ATOM 740 CA LEU A 53 -2.861 0.992 -1.359 1.00 0.00 C ATOM 741 C LEU A 53 -3.611 0.400 -0.164 1.00 0.00 C ATOM 742 O LEU A 53 -4.772 0.014 -0.285 1.00 0.00 O ATOM 743 CB LEU A 53 -2.792 2.520 -1.347 1.00 0.00 C ATOM 744 CG LEU A 53 -1.475 3.128 -0.861 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.473 3.255 -2.010 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.714 4.466 -0.159 1.00 0.00 C ATOM 0 H LEU A 53 -3.637 1.244 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.829 0.649 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.985 2.881 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.597 2.895 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.038 2.452 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.454 3.690 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.270 2.268 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.889 3.897 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.761 4.876 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.185 5.162 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.367 4.314 0.701 1.00 0.00 H new ATOM 758 N ARG A 54 -2.916 0.348 0.963 1.00 0.00 N ATOM 759 CA ARG A 54 -3.501 -0.189 2.179 1.00 0.00 C ATOM 760 C ARG A 54 -2.478 -0.165 3.316 1.00 0.00 C ATOM 761 O ARG A 54 -1.307 -0.479 3.110 1.00 0.00 O ATOM 762 CB ARG A 54 -3.985 -1.625 1.969 1.00 0.00 C ATOM 763 CG ARG A 54 -2.813 -2.561 1.667 1.00 0.00 C ATOM 764 CD ARG A 54 -2.285 -3.209 2.949 1.00 0.00 C ATOM 765 NE ARG A 54 -0.861 -3.576 2.781 1.00 0.00 N ATOM 766 CZ ARG A 54 -0.235 -4.509 3.511 1.00 0.00 C ATOM 767 NH1 ARG A 54 -0.903 -5.175 4.462 1.00 0.00 N ATOM 768 NH2 ARG A 54 1.060 -4.775 3.289 1.00 0.00 N ATOM 0 H ARG A 54 -1.953 0.669 1.059 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.355 0.436 2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.510 -1.970 2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.700 -1.655 1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.131 -3.335 0.969 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.013 -2.003 1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.395 -2.520 3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.872 -4.096 3.186 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.323 -3.088 2.065 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.888 -4.972 4.630 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.426 -5.885 5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.568 -4.267 2.565 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.537 -5.485 3.844 1.00 0.00 H new ATOM 782 N VAL A 55 -2.957 0.212 4.493 1.00 0.00 N ATOM 783 CA VAL A 55 -2.099 0.281 5.663 1.00 0.00 C ATOM 784 C VAL A 55 -1.262 -0.997 5.753 1.00 0.00 C ATOM 785 O VAL A 55 -1.789 -2.068 6.049 1.00 0.00 O ATOM 786 CB VAL A 55 -2.941 0.534 6.915 1.00 0.00 C ATOM 787 CG1 VAL A 55 -2.149 0.208 8.183 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.458 1.974 6.946 1.00 0.00 C ATOM 0 H VAL A 55 -3.929 0.473 4.661 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.406 1.118 5.579 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.804 -0.131 6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.770 0.396 9.059 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.853 -0.841 8.167 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.259 0.836 8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.053 2.127 7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.614 2.664 6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.075 2.158 6.067 1.00 0.00 H new ATOM 798 N GLY A 56 0.028 -0.841 5.494 1.00 0.00 N ATOM 799 CA GLY A 56 0.942 -1.969 5.542 1.00 0.00 C ATOM 800 C GLY A 56 2.018 -1.849 4.461 1.00 0.00 C ATOM 801 O GLY A 56 3.176 -2.197 4.691 1.00 0.00 O ATOM 0 H GLY A 56 0.462 0.049 5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.412 -2.019 6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.387 -2.897 5.406 1.00 0.00 H new ATOM 805 N ASP A 57 1.599 -1.355 3.305 1.00 0.00 N ATOM 806 CA ASP A 57 2.512 -1.185 2.188 1.00 0.00 C ATOM 807 C ASP A 57 3.754 -0.427 2.662 1.00 0.00 C ATOM 808 O ASP A 57 3.852 -0.058 3.831 1.00 0.00 O ATOM 809 CB ASP A 57 1.863 -0.374 1.065 1.00 0.00 C ATOM 810 CG ASP A 57 1.177 -1.207 -0.020 1.00 0.00 C ATOM 811 OD1 ASP A 57 1.762 -2.246 -0.394 1.00 0.00 O ATOM 812 OD2 ASP A 57 0.081 -0.785 -0.450 1.00 0.00 O ATOM 0 H ASP A 57 0.639 -1.067 3.118 1.00 0.00 H new ATOM 0 HA ASP A 57 2.775 -2.174 1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.128 0.301 1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.627 0.247 0.597 1.00 0.00 H new ATOM 817 N GLN A 58 4.672 -0.218 1.729 1.00 0.00 N ATOM 818 CA GLN A 58 5.903 0.489 2.036 1.00 0.00 C ATOM 819 C GLN A 58 6.230 1.492 0.928 1.00 0.00 C ATOM 820 O GLN A 58 6.492 1.103 -0.209 1.00 0.00 O ATOM 821 CB GLN A 58 7.060 -0.490 2.248 1.00 0.00 C ATOM 822 CG GLN A 58 8.365 0.256 2.532 1.00 0.00 C ATOM 823 CD GLN A 58 9.423 -0.689 3.105 1.00 0.00 C ATOM 824 OE1 GLN A 58 10.414 -0.071 3.741 1.00 0.00 O flip ATOM 825 NE2 GLN A 58 9.345 -1.900 2.978 1.00 0.00 N flip ATOM 0 H GLN A 58 4.587 -0.526 0.760 1.00 0.00 H new ATOM 0 HA GLN A 58 5.760 1.039 2.966 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.830 -1.156 3.079 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.179 -1.115 1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.736 0.709 1.613 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.178 1.068 3.235 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.557 -2.311 2.478 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.068 -2.502 3.372 1.00 0.00 H new ATOM 834 N ILE A 59 6.204 2.764 1.298 1.00 0.00 N ATOM 835 CA ILE A 59 6.494 3.826 0.350 1.00 0.00 C ATOM 836 C ILE A 59 8.002 3.879 0.097 1.00 0.00 C ATOM 837 O ILE A 59 8.733 4.555 0.820 1.00 0.00 O ATOM 838 CB ILE A 59 5.904 5.152 0.833 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.434 4.987 1.225 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.099 6.252 -0.213 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.534 4.987 -0.012 1.00 0.00 C ATOM 0 H ILE A 59 5.986 3.083 2.242 1.00 0.00 H new ATOM 0 HA ILE A 59 6.016 3.622 -0.608 1.00 0.00 H new ATOM 0 HB ILE A 59 6.443 5.460 1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.303 4.055 1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.139 5.796 1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.671 7.184 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.164 6.391 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.602 5.965 -1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.495 4.868 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.650 5.930 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.816 4.162 -0.667 1.00 0.00 H new ATOM 853 N LEU A 60 8.424 3.159 -0.931 1.00 0.00 N ATOM 854 CA LEU A 60 9.832 3.116 -1.288 1.00 0.00 C ATOM 855 C LEU A 60 10.209 4.409 -2.015 1.00 0.00 C ATOM 856 O LEU A 60 11.151 5.094 -1.622 1.00 0.00 O ATOM 857 CB LEU A 60 10.144 1.848 -2.086 1.00 0.00 C ATOM 858 CG LEU A 60 9.575 0.544 -1.523 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.537 -0.545 -2.596 1.00 0.00 C ATOM 860 CD2 LEU A 60 10.351 0.099 -0.282 1.00 0.00 C ATOM 0 H LEU A 60 7.815 2.600 -1.529 1.00 0.00 H new ATOM 0 HA LEU A 60 10.451 3.061 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.766 1.978 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.227 1.747 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 60 8.546 0.726 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.129 -1.461 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.908 -0.218 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.547 -0.733 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.927 -0.830 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.397 -0.061 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.283 0.870 0.485 1.00 0.00 H new ATOM 872 N ARG A 61 9.453 4.702 -3.063 1.00 0.00 N ATOM 873 CA ARG A 61 9.696 5.901 -3.849 1.00 0.00 C ATOM 874 C ARG A 61 8.430 6.757 -3.916 1.00 0.00 C ATOM 875 O ARG A 61 7.331 6.267 -3.661 1.00 0.00 O ATOM 876 CB ARG A 61 10.141 5.547 -5.269 1.00 0.00 C ATOM 877 CG ARG A 61 11.660 5.380 -5.342 1.00 0.00 C ATOM 878 CD ARG A 61 12.070 4.647 -6.621 1.00 0.00 C ATOM 879 NE ARG A 61 11.831 3.194 -6.470 1.00 0.00 N ATOM 880 CZ ARG A 61 10.707 2.574 -6.854 1.00 0.00 C ATOM 881 NH1 ARG A 61 9.712 3.276 -7.413 1.00 0.00 N ATOM 882 NH2 ARG A 61 10.578 1.252 -6.678 1.00 0.00 N ATOM 0 H ARG A 61 8.672 4.131 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 61 10.492 6.463 -3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.655 4.625 -5.587 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.824 6.329 -5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.139 6.359 -5.310 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.011 4.825 -4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.502 5.031 -7.468 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.123 4.831 -6.834 1.00 0.00 H new ATOM 0 HE ARG A 61 12.568 2.630 -6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.810 4.282 -7.546 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.856 2.804 -7.705 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.335 0.718 -6.252 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.722 0.780 -6.970 1.00 0.00 H new ATOM 896 N VAL A 62 8.626 8.020 -4.262 1.00 0.00 N ATOM 897 CA VAL A 62 7.513 8.949 -4.366 1.00 0.00 C ATOM 898 C VAL A 62 7.753 9.895 -5.545 1.00 0.00 C ATOM 899 O VAL A 62 8.675 10.710 -5.514 1.00 0.00 O ATOM 900 CB VAL A 62 7.320 9.685 -3.039 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.216 10.922 -2.962 1.00 0.00 C ATOM 902 CG2 VAL A 62 5.851 10.058 -2.828 1.00 0.00 C ATOM 0 H VAL A 62 9.539 8.423 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 62 6.585 8.413 -4.563 1.00 0.00 H new ATOM 0 HB VAL A 62 7.613 9.009 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.059 11.426 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.260 10.621 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.969 11.602 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.741 10.580 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.520 10.707 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.244 9.153 -2.817 1.00 0.00 H new ATOM 912 N ASN A 63 6.908 9.756 -6.555 1.00 0.00 N ATOM 913 CA ASN A 63 7.017 10.588 -7.741 1.00 0.00 C ATOM 914 C ASN A 63 8.239 10.155 -8.553 1.00 0.00 C ATOM 915 O ASN A 63 8.111 9.750 -9.707 1.00 0.00 O ATOM 916 CB ASN A 63 7.196 12.061 -7.367 1.00 0.00 C ATOM 917 CG ASN A 63 6.300 12.957 -8.224 1.00 0.00 C ATOM 918 OD1 ASN A 63 5.492 13.745 -7.520 1.00 0.00 O flip ATOM 919 ND2 ASN A 63 6.339 12.935 -9.443 1.00 0.00 N flip ATOM 0 H ASN A 63 6.145 9.080 -6.577 1.00 0.00 H new ATOM 0 HA ASN A 63 6.100 10.471 -8.319 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.958 12.204 -6.313 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.239 12.350 -7.500 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.983 12.305 -9.921 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.727 13.546 -9.984 1.00 0.00 H new ATOM 926 N ASP A 64 9.397 10.255 -7.917 1.00 0.00 N ATOM 927 CA ASP A 64 10.642 9.879 -8.566 1.00 0.00 C ATOM 928 C ASP A 64 11.723 9.671 -7.503 1.00 0.00 C ATOM 929 O ASP A 64 12.457 8.685 -7.545 1.00 0.00 O ATOM 930 CB ASP A 64 11.120 10.976 -9.519 1.00 0.00 C ATOM 931 CG ASP A 64 10.922 10.673 -11.005 1.00 0.00 C ATOM 932 OD1 ASP A 64 11.155 9.504 -11.382 1.00 0.00 O ATOM 933 OD2 ASP A 64 10.542 11.617 -11.731 1.00 0.00 O ATOM 0 H ASP A 64 9.500 10.591 -6.959 1.00 0.00 H new ATOM 0 HA ASP A 64 10.465 8.964 -9.131 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.594 11.900 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.180 11.157 -9.339 1.00 0.00 H new ATOM 938 N LYS A 65 11.786 10.615 -6.577 1.00 0.00 N ATOM 939 CA LYS A 65 12.765 10.548 -5.505 1.00 0.00 C ATOM 940 C LYS A 65 12.428 9.373 -4.585 1.00 0.00 C ATOM 941 O LYS A 65 11.263 9.005 -4.444 1.00 0.00 O ATOM 942 CB LYS A 65 12.857 11.891 -4.778 1.00 0.00 C ATOM 943 CG LYS A 65 13.831 12.834 -5.489 1.00 0.00 C ATOM 944 CD LYS A 65 13.667 14.271 -4.989 1.00 0.00 C ATOM 945 CE LYS A 65 12.496 14.965 -5.688 1.00 0.00 C ATOM 946 NZ LYS A 65 11.984 16.078 -4.859 1.00 0.00 N ATOM 0 H LYS A 65 11.175 11.431 -6.546 1.00 0.00 H new ATOM 0 HA LYS A 65 13.760 10.362 -5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.870 12.351 -4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.185 11.731 -3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.855 12.501 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.658 12.798 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.502 14.268 -3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.585 14.830 -5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.817 15.344 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.698 14.246 -5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.190 16.538 -5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.659 15.708 -3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.743 16.772 -4.702 1.00 0.00 H new ATOM 960 N SER A 66 13.469 8.817 -3.983 1.00 0.00 N ATOM 961 CA SER A 66 13.298 7.691 -3.080 1.00 0.00 C ATOM 962 C SER A 66 13.434 8.158 -1.630 1.00 0.00 C ATOM 963 O SER A 66 14.325 8.942 -1.307 1.00 0.00 O ATOM 964 CB SER A 66 14.313 6.586 -3.380 1.00 0.00 C ATOM 965 OG SER A 66 15.650 7.005 -3.122 1.00 0.00 O ATOM 0 H SER A 66 14.434 9.125 -4.103 1.00 0.00 H new ATOM 0 HA SER A 66 12.300 7.280 -3.230 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.084 5.709 -2.774 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.223 6.284 -4.423 1.00 0.00 H new ATOM 0 HG SER A 66 16.267 6.271 -3.324 1.00 0.00 H new ATOM 971 N LEU A 67 12.537 7.656 -0.794 1.00 0.00 N ATOM 972 CA LEU A 67 12.545 8.012 0.615 1.00 0.00 C ATOM 973 C LEU A 67 13.278 6.927 1.406 1.00 0.00 C ATOM 974 O LEU A 67 12.799 6.483 2.448 1.00 0.00 O ATOM 975 CB LEU A 67 11.122 8.278 1.109 1.00 0.00 C ATOM 976 CG LEU A 67 10.190 8.985 0.123 1.00 0.00 C ATOM 977 CD1 LEU A 67 8.731 8.869 0.567 1.00 0.00 C ATOM 978 CD2 LEU A 67 10.613 10.441 -0.084 1.00 0.00 C ATOM 0 H LEU A 67 11.800 7.005 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 67 13.090 8.943 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.671 7.325 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.180 8.878 2.017 1.00 0.00 H new ATOM 0 HG LEU A 67 10.272 8.486 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.090 9.380 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.449 7.817 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.612 9.327 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.934 10.920 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.578 10.969 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.628 10.472 -0.479 1.00 0.00 H new ATOM 990 N ALA A 68 14.429 6.532 0.881 1.00 0.00 N ATOM 991 CA ALA A 68 15.233 5.507 1.525 1.00 0.00 C ATOM 992 C ALA A 68 15.235 5.743 3.037 1.00 0.00 C ATOM 993 O ALA A 68 14.627 4.981 3.788 1.00 0.00 O ATOM 994 CB ALA A 68 16.643 5.516 0.932 1.00 0.00 C ATOM 0 H ALA A 68 14.824 6.903 0.017 1.00 0.00 H new ATOM 0 HA ALA A 68 14.811 4.518 1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.246 4.747 1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.589 5.316 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.100 6.492 1.096 1.00 0.00 H new ATOM 1000 N ARG A 69 15.926 6.800 3.438 1.00 0.00 N ATOM 1001 CA ARG A 69 16.015 7.145 4.847 1.00 0.00 C ATOM 1002 C ARG A 69 15.979 8.664 5.024 1.00 0.00 C ATOM 1003 O ARG A 69 17.020 9.320 5.002 1.00 0.00 O ATOM 1004 CB ARG A 69 17.301 6.596 5.468 1.00 0.00 C ATOM 1005 CG ARG A 69 16.989 5.659 6.636 1.00 0.00 C ATOM 1006 CD ARG A 69 18.265 5.005 7.171 1.00 0.00 C ATOM 1007 NE ARG A 69 17.921 3.940 8.139 1.00 0.00 N ATOM 1008 CZ ARG A 69 18.729 2.917 8.449 1.00 0.00 C ATOM 1009 NH1 ARG A 69 19.933 2.814 7.869 1.00 0.00 N ATOM 1010 NH2 ARG A 69 18.333 1.997 9.339 1.00 0.00 N ATOM 0 H ARG A 69 16.429 7.429 2.812 1.00 0.00 H new ATOM 0 HA ARG A 69 15.160 6.696 5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.875 6.061 4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.923 7.421 5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 69 16.500 6.218 7.434 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.290 4.888 6.312 1.00 0.00 H new ATOM 0 HD2 ARG A 69 18.842 4.586 6.346 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.894 5.755 7.651 1.00 0.00 H new ATOM 0 HE ARG A 69 17.012 3.988 8.599 1.00 0.00 H new ATOM 0 HH11 ARG A 69 20.234 3.514 7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.548 2.035 8.105 1.00 0.00 H new ATOM 0 HH21 ARG A 69 17.417 2.076 9.780 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.948 1.218 9.575 1.00 0.00 H new ATOM 1024 N VAL A 70 14.771 9.180 5.196 1.00 0.00 N ATOM 1025 CA VAL A 70 14.586 10.609 5.378 1.00 0.00 C ATOM 1026 C VAL A 70 13.530 10.850 6.458 1.00 0.00 C ATOM 1027 O VAL A 70 12.654 10.013 6.673 1.00 0.00 O ATOM 1028 CB VAL A 70 14.233 11.265 4.041 1.00 0.00 C ATOM 1029 CG1 VAL A 70 15.405 11.176 3.061 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.969 10.645 3.442 1.00 0.00 C ATOM 0 H VAL A 70 13.910 8.633 5.213 1.00 0.00 H new ATOM 0 HA VAL A 70 15.511 11.073 5.719 1.00 0.00 H new ATOM 0 HB VAL A 70 14.032 12.320 4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.128 11.649 2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 70 16.271 11.686 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.651 10.129 2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.741 11.129 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.130 9.580 3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.135 10.784 4.130 1.00 0.00 H new ATOM 1040 N THR A 71 13.647 11.997 7.110 1.00 0.00 N ATOM 1041 CA THR A 71 12.713 12.358 8.164 1.00 0.00 C ATOM 1042 C THR A 71 11.276 12.317 7.640 1.00 0.00 C ATOM 1043 O THR A 71 11.052 12.346 6.431 1.00 0.00 O ATOM 1044 CB THR A 71 13.122 13.727 8.709 1.00 0.00 C ATOM 1045 OG1 THR A 71 13.567 14.441 7.559 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.361 13.655 9.604 1.00 0.00 C ATOM 0 H THR A 71 14.374 12.689 6.929 1.00 0.00 H new ATOM 0 HA THR A 71 12.747 11.642 8.985 1.00 0.00 H new ATOM 0 HB THR A 71 12.292 14.155 9.271 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.850 15.342 7.822 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.608 14.654 9.964 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.159 13.003 10.454 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.200 13.257 9.033 1.00 0.00 H new ATOM 1054 N HIS A 72 10.341 12.250 8.575 1.00 0.00 N ATOM 1055 CA HIS A 72 8.932 12.205 8.223 1.00 0.00 C ATOM 1056 C HIS A 72 8.556 13.471 7.450 1.00 0.00 C ATOM 1057 O HIS A 72 7.695 13.433 6.572 1.00 0.00 O ATOM 1058 CB HIS A 72 8.067 11.991 9.467 1.00 0.00 C ATOM 1059 CG HIS A 72 6.631 11.638 9.163 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.563 12.404 9.598 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.098 10.596 8.463 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.442 11.838 9.174 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.776 10.717 8.471 1.00 0.00 N ATOM 0 H HIS A 72 10.531 12.226 9.577 1.00 0.00 H new ATOM 0 HA HIS A 72 8.744 11.353 7.570 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.506 11.196 10.070 1.00 0.00 H new ATOM 0 HB3 HIS A 72 8.087 12.898 10.072 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.628 13.259 10.151 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.657 9.806 7.983 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.440 12.200 9.353 1.00 0.00 H new ATOM 1071 N ALA A 73 9.219 14.561 7.805 1.00 0.00 N ATOM 1072 CA ALA A 73 8.965 15.836 7.155 1.00 0.00 C ATOM 1073 C ALA A 73 9.444 15.769 5.704 1.00 0.00 C ATOM 1074 O ALA A 73 8.797 16.307 4.807 1.00 0.00 O ATOM 1075 CB ALA A 73 9.648 16.956 7.943 1.00 0.00 C ATOM 0 H ALA A 73 9.932 14.588 8.534 1.00 0.00 H new ATOM 0 HA ALA A 73 7.897 16.052 7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.458 17.912 7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.252 16.981 8.958 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.722 16.774 7.977 1.00 0.00 H new ATOM 1081 N GLU A 74 10.575 15.104 5.518 1.00 0.00 N ATOM 1082 CA GLU A 74 11.149 14.959 4.191 1.00 0.00 C ATOM 1083 C GLU A 74 10.134 14.320 3.241 1.00 0.00 C ATOM 1084 O GLU A 74 9.719 14.940 2.262 1.00 0.00 O ATOM 1085 CB GLU A 74 12.443 14.145 4.239 1.00 0.00 C ATOM 1086 CG GLU A 74 13.652 15.051 4.481 1.00 0.00 C ATOM 1087 CD GLU A 74 13.859 16.015 3.311 1.00 0.00 C ATOM 1088 OE1 GLU A 74 14.503 15.586 2.329 1.00 0.00 O ATOM 1089 OE2 GLU A 74 13.367 17.158 3.424 1.00 0.00 O ATOM 0 H GLU A 74 11.109 14.660 6.265 1.00 0.00 H new ATOM 0 HA GLU A 74 11.397 15.951 3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.379 13.399 5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.571 13.604 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.508 15.617 5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.546 14.442 4.617 1.00 0.00 H new ATOM 1096 N ALA A 75 9.764 13.090 3.562 1.00 0.00 N ATOM 1097 CA ALA A 75 8.805 12.360 2.749 1.00 0.00 C ATOM 1098 C ALA A 75 7.635 13.282 2.398 1.00 0.00 C ATOM 1099 O ALA A 75 7.277 13.417 1.229 1.00 0.00 O ATOM 1100 CB ALA A 75 8.354 11.104 3.496 1.00 0.00 C ATOM 0 H ALA A 75 10.111 12.579 4.374 1.00 0.00 H new ATOM 0 HA ALA A 75 9.262 12.036 1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.635 10.557 2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.218 10.470 3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.888 11.389 4.439 1.00 0.00 H new ATOM 1106 N VAL A 76 7.073 13.891 3.431 1.00 0.00 N ATOM 1107 CA VAL A 76 5.951 14.796 3.246 1.00 0.00 C ATOM 1108 C VAL A 76 6.334 15.875 2.231 1.00 0.00 C ATOM 1109 O VAL A 76 5.691 16.009 1.190 1.00 0.00 O ATOM 1110 CB VAL A 76 5.515 15.372 4.595 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.314 16.305 4.430 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.208 14.255 5.594 1.00 0.00 C ATOM 0 H VAL A 76 7.373 13.776 4.399 1.00 0.00 H new ATOM 0 HA VAL A 76 5.091 14.261 2.843 1.00 0.00 H new ATOM 0 HB VAL A 76 6.343 15.959 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.024 16.701 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.581 17.129 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.479 15.751 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.901 14.691 6.544 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.404 13.630 5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.100 13.647 5.746 1.00 0.00 H new ATOM 1122 N LYS A 77 7.378 16.617 2.569 1.00 0.00 N ATOM 1123 CA LYS A 77 7.854 17.680 1.700 1.00 0.00 C ATOM 1124 C LYS A 77 8.055 17.126 0.288 1.00 0.00 C ATOM 1125 O LYS A 77 8.015 17.875 -0.688 1.00 0.00 O ATOM 1126 CB LYS A 77 9.106 18.333 2.289 1.00 0.00 C ATOM 1127 CG LYS A 77 8.739 19.531 3.166 1.00 0.00 C ATOM 1128 CD LYS A 77 9.445 19.457 4.520 1.00 0.00 C ATOM 1129 CE LYS A 77 10.597 20.461 4.594 1.00 0.00 C ATOM 1130 NZ LYS A 77 11.470 20.164 5.752 1.00 0.00 N ATOM 0 H LYS A 77 7.908 16.503 3.433 1.00 0.00 H new ATOM 0 HA LYS A 77 7.112 18.475 1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.658 17.602 2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.765 18.656 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.015 20.455 2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.660 19.559 3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.730 19.659 5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.826 18.449 4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.179 20.424 3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.201 21.473 4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.247 20.855 5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.915 20.222 6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.863 19.206 5.654 1.00 0.00 H new ATOM 1144 N ALA A 78 8.267 15.820 0.223 1.00 0.00 N ATOM 1145 CA ALA A 78 8.474 15.158 -1.054 1.00 0.00 C ATOM 1146 C ALA A 78 7.119 14.775 -1.651 1.00 0.00 C ATOM 1147 O ALA A 78 6.965 14.724 -2.870 1.00 0.00 O ATOM 1148 CB ALA A 78 9.389 13.947 -0.859 1.00 0.00 C ATOM 0 H ALA A 78 8.300 15.202 1.034 1.00 0.00 H new ATOM 0 HA ALA A 78 8.966 15.829 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.544 13.450 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.349 14.277 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.926 13.250 -0.160 1.00 0.00 H new ATOM 1154 N LEU A 79 6.170 14.514 -0.763 1.00 0.00 N ATOM 1155 CA LEU A 79 4.832 14.137 -1.187 1.00 0.00 C ATOM 1156 C LEU A 79 4.092 15.378 -1.690 1.00 0.00 C ATOM 1157 O LEU A 79 3.033 15.726 -1.171 1.00 0.00 O ATOM 1158 CB LEU A 79 4.102 13.399 -0.063 1.00 0.00 C ATOM 1159 CG LEU A 79 4.265 11.878 -0.043 1.00 0.00 C ATOM 1160 CD1 LEU A 79 4.169 11.334 1.384 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.260 11.206 -0.981 1.00 0.00 C ATOM 0 H LEU A 79 6.301 14.556 0.248 1.00 0.00 H new ATOM 0 HA LEU A 79 4.880 13.435 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.451 13.794 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.039 13.630 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 79 5.262 11.637 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.288 10.251 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.955 11.777 1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.196 11.586 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.398 10.125 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.246 11.453 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.419 11.561 -1.999 1.00 0.00 H new ATOM 1257 N LEU A 85 1.287 12.690 -8.970 1.00 0.00 N ATOM 1258 CA LEU A 85 2.279 12.038 -8.133 1.00 0.00 C ATOM 1259 C LEU A 85 2.123 10.520 -8.253 1.00 0.00 C ATOM 1260 O LEU A 85 1.012 9.999 -8.177 1.00 0.00 O ATOM 1261 CB LEU A 85 2.188 12.553 -6.695 1.00 0.00 C ATOM 1262 CG LEU A 85 2.862 11.687 -5.629 1.00 0.00 C ATOM 1263 CD1 LEU A 85 4.289 11.320 -6.041 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.819 12.370 -4.260 1.00 0.00 C ATOM 0 HA LEU A 85 3.285 12.284 -8.473 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.629 13.549 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.135 12.661 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 85 2.302 10.756 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.745 10.704 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.266 10.764 -6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.875 12.230 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.305 11.733 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.340 13.326 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.782 12.538 -3.969 1.00 0.00 H new ATOM 1276 N VAL A 86 3.253 9.855 -8.439 1.00 0.00 N ATOM 1277 CA VAL A 86 3.257 8.408 -8.570 1.00 0.00 C ATOM 1278 C VAL A 86 3.869 7.787 -7.313 1.00 0.00 C ATOM 1279 O VAL A 86 5.084 7.833 -7.122 1.00 0.00 O ATOM 1280 CB VAL A 86 3.984 8.001 -9.853 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.211 6.488 -9.899 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.223 8.479 -11.091 1.00 0.00 C ATOM 0 H VAL A 86 4.173 10.291 -8.502 1.00 0.00 H new ATOM 0 HA VAL A 86 2.238 8.030 -8.655 1.00 0.00 H new ATOM 0 HB VAL A 86 4.960 8.486 -9.852 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.729 6.226 -10.821 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.815 6.185 -9.044 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.250 5.975 -9.864 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.762 8.176 -11.989 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.227 8.036 -11.099 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.137 9.565 -11.068 1.00 0.00 H new ATOM 1292 N LEU A 87 3.001 7.221 -6.488 1.00 0.00 N ATOM 1293 CA LEU A 87 3.441 6.592 -5.255 1.00 0.00 C ATOM 1294 C LEU A 87 4.005 5.205 -5.568 1.00 0.00 C ATOM 1295 O LEU A 87 3.368 4.414 -6.261 1.00 0.00 O ATOM 1296 CB LEU A 87 2.307 6.577 -4.227 1.00 0.00 C ATOM 1297 CG LEU A 87 1.632 7.922 -3.954 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.671 9.019 -3.715 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.661 8.287 -5.079 1.00 0.00 C ATOM 0 H LEU A 87 1.995 7.185 -6.650 1.00 0.00 H new ATOM 0 HA LEU A 87 4.246 7.169 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.546 5.873 -4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.701 6.193 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 87 1.045 7.830 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.164 9.965 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.286 8.756 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.304 9.119 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.195 9.248 -4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.205 8.354 -6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.109 7.520 -5.158 1.00 0.00 H new ATOM 1311 N SER A 88 5.195 4.952 -5.041 1.00 0.00 N ATOM 1312 CA SER A 88 5.852 3.675 -5.256 1.00 0.00 C ATOM 1313 C SER A 88 5.772 2.825 -3.986 1.00 0.00 C ATOM 1314 O SER A 88 6.419 3.132 -2.987 1.00 0.00 O ATOM 1315 CB SER A 88 7.312 3.869 -5.672 1.00 0.00 C ATOM 1316 OG SER A 88 7.428 4.301 -7.025 1.00 0.00 O ATOM 0 H SER A 88 5.720 5.610 -4.466 1.00 0.00 H new ATOM 0 HA SER A 88 5.337 3.158 -6.066 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.782 4.602 -5.016 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.854 2.932 -5.543 1.00 0.00 H new ATOM 0 HG SER A 88 8.016 5.084 -7.069 1.00 0.00 H new ATOM 1322 N VAL A 89 4.971 1.772 -4.067 1.00 0.00 N ATOM 1323 CA VAL A 89 4.797 0.876 -2.937 1.00 0.00 C ATOM 1324 C VAL A 89 5.070 -0.562 -3.385 1.00 0.00 C ATOM 1325 O VAL A 89 4.661 -0.965 -4.473 1.00 0.00 O ATOM 1326 CB VAL A 89 3.403 1.059 -2.333 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.439 2.040 -1.160 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.400 1.512 -3.396 1.00 0.00 C ATOM 0 H VAL A 89 4.436 1.520 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 89 5.512 1.113 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 89 3.073 0.093 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.436 2.152 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.107 1.659 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.800 3.008 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.417 1.635 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.724 2.462 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.343 0.762 -4.185 1.00 0.00 H new ATOM 1338 N TYR A 90 5.759 -1.295 -2.524 1.00 0.00 N ATOM 1339 CA TYR A 90 6.092 -2.679 -2.817 1.00 0.00 C ATOM 1340 C TYR A 90 4.933 -3.610 -2.455 1.00 0.00 C ATOM 1341 O TYR A 90 4.143 -3.305 -1.562 1.00 0.00 O ATOM 1342 CB TYR A 90 7.297 -3.019 -1.939 1.00 0.00 C ATOM 1343 CG TYR A 90 7.402 -4.500 -1.571 1.00 0.00 C ATOM 1344 CD1 TYR A 90 7.744 -5.428 -2.534 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.154 -4.909 -0.276 1.00 0.00 C ATOM 1346 CE1 TYR A 90 7.842 -6.822 -2.188 1.00 0.00 C ATOM 1347 CE2 TYR A 90 7.252 -6.303 0.070 1.00 0.00 C ATOM 1348 CZ TYR A 90 7.591 -7.191 -0.903 1.00 0.00 C ATOM 1349 OH TYR A 90 7.684 -8.508 -0.576 1.00 0.00 O ATOM 0 H TYR A 90 6.096 -0.957 -1.623 1.00 0.00 H new ATOM 0 HA TYR A 90 6.300 -2.806 -3.879 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.207 -2.719 -2.458 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.243 -2.431 -1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.938 -5.108 -3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.886 -4.183 0.478 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.109 -7.558 -2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.061 -6.636 1.079 1.00 0.00 H new ATOM 0 HH TYR A 90 7.479 -8.624 0.375 1.00 0.00 H new ATOM 1359 N SER A 91 4.868 -4.726 -3.165 1.00 0.00 N ATOM 1360 CA SER A 91 3.819 -5.704 -2.929 1.00 0.00 C ATOM 1361 C SER A 91 4.427 -7.010 -2.416 1.00 0.00 C ATOM 1362 O SER A 91 5.473 -7.444 -2.897 1.00 0.00 O ATOM 1363 CB SER A 91 3.008 -5.959 -4.201 1.00 0.00 C ATOM 1364 OG SER A 91 1.727 -6.513 -3.915 1.00 0.00 O ATOM 0 H SER A 91 5.525 -4.975 -3.904 1.00 0.00 H new ATOM 0 HA SER A 91 3.143 -5.305 -2.173 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.885 -5.023 -4.746 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.559 -6.637 -4.852 1.00 0.00 H new ATOM 0 HG SER A 91 1.240 -6.660 -4.752 1.00 0.00 H new