USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 549 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 64 ASN : amide:sc= -1.35 K(o=-0.21,f=-1.6!) USER MOD Set 1.2: A 83 SER OG : rot 76:sc= 1.14 USER MOD Single : A 12 HIS : no HD1:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.458 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -98:sc= 1.21 USER MOD Single : A 48 SER OG : rot 140:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -66:sc= 0.742 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00443 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 73 MET CE :methyl 174:sc= -2.04! (180deg=-2.2!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -27:sc= 0.816 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.64) USER MOD Single : A 88 MET CE :methyl -136:sc= -3.78 (180deg=-5.97!) USER MOD Single : A 89 MET CE :methyl -119:sc= -0.406 (180deg=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 -6.065 -11.431 -13.242 1.00 0.00 N ATOM 90 CA ILE A 10 -6.776 -10.189 -12.988 1.00 0.00 C ATOM 91 C ILE A 10 -5.986 -9.352 -11.979 1.00 0.00 C ATOM 92 O ILE A 10 -5.129 -9.875 -11.269 1.00 0.00 O ATOM 93 CB ILE A 10 -8.215 -10.475 -12.556 1.00 0.00 C ATOM 94 CG1 ILE A 10 -9.015 -11.105 -13.698 1.00 0.00 C ATOM 95 CG2 ILE A 10 -8.887 -9.211 -12.015 1.00 0.00 C ATOM 96 CD1 ILE A 10 -10.482 -10.671 -13.645 1.00 0.00 C ATOM 0 HA ILE A 10 -6.853 -9.600 -13.902 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.190 -11.200 -11.742 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.581 -10.815 -14.655 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.951 -12.191 -13.636 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.909 -9.442 -11.715 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.330 -8.843 -11.153 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.901 -8.446 -12.791 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.028 -11.133 -14.468 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.920 -10.984 -12.697 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.544 -9.586 -13.732 1.00 0.00 H new ATOM 108 N ILE A 11 -6.304 -8.066 -11.949 1.00 0.00 N ATOM 109 CA ILE A 11 -5.635 -7.151 -11.039 1.00 0.00 C ATOM 110 C ILE A 11 -6.435 -7.056 -9.738 1.00 0.00 C ATOM 111 O ILE A 11 -7.653 -7.229 -9.741 1.00 0.00 O ATOM 112 CB ILE A 11 -5.399 -5.800 -11.716 1.00 0.00 C ATOM 113 CG1 ILE A 11 -4.218 -5.871 -12.686 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.221 -4.690 -10.678 1.00 0.00 C ATOM 115 CD1 ILE A 11 -2.896 -5.614 -11.961 1.00 0.00 C ATOM 0 H ILE A 11 -7.016 -7.636 -12.540 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.646 -7.528 -10.778 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.284 -5.554 -12.303 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.192 -6.852 -13.161 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.350 -5.136 -13.480 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.055 -3.740 -11.186 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.118 -4.620 -10.062 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.363 -4.918 -10.045 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.073 -5.670 -12.674 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.916 -4.623 -11.508 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.755 -6.365 -11.184 1.00 0.00 H new ATOM 127 N HIS A 12 -5.718 -6.782 -8.659 1.00 0.00 N ATOM 128 CA HIS A 12 -6.346 -6.662 -7.354 1.00 0.00 C ATOM 129 C HIS A 12 -6.349 -5.195 -6.919 1.00 0.00 C ATOM 130 O HIS A 12 -5.357 -4.490 -7.095 1.00 0.00 O ATOM 131 CB HIS A 12 -5.665 -7.581 -6.337 1.00 0.00 C ATOM 132 CG HIS A 12 -5.889 -9.052 -6.592 1.00 0.00 C ATOM 133 ND1 HIS A 12 -6.162 -9.955 -5.579 1.00 0.00 N ATOM 134 CD2 HIS A 12 -5.879 -9.767 -7.753 1.00 0.00 C ATOM 135 CE1 HIS A 12 -6.307 -11.157 -6.118 1.00 0.00 C ATOM 136 NE2 HIS A 12 -6.131 -11.038 -7.465 1.00 0.00 N ATOM 0 H HIS A 12 -4.708 -6.640 -8.661 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.384 -6.989 -7.414 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.594 -7.381 -6.342 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.030 -7.336 -5.340 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.697 -9.367 -8.740 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.526 -12.070 -5.584 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.184 -11.801 -8.140 1.00 0.00 H new ATOM 144 N SER A 13 -7.476 -4.780 -6.359 1.00 0.00 N ATOM 145 CA SER A 13 -7.621 -3.410 -5.897 1.00 0.00 C ATOM 146 C SER A 13 -7.650 -3.374 -4.368 1.00 0.00 C ATOM 147 O SER A 13 -8.413 -4.105 -3.740 1.00 0.00 O ATOM 148 CB SER A 13 -8.888 -2.769 -6.467 1.00 0.00 C ATOM 149 OG SER A 13 -9.478 -3.568 -7.489 1.00 0.00 O ATOM 0 H SER A 13 -8.297 -5.368 -6.215 1.00 0.00 H new ATOM 0 HA SER A 13 -6.764 -2.836 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.610 -2.616 -5.664 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.647 -1.785 -6.870 1.00 0.00 H new ATOM 0 HG SER A 13 -10.285 -3.125 -7.826 1.00 0.00 H new ATOM 155 N VAL A 14 -6.808 -2.514 -3.813 1.00 0.00 N ATOM 156 CA VAL A 14 -6.727 -2.372 -2.369 1.00 0.00 C ATOM 157 C VAL A 14 -6.430 -0.912 -2.020 1.00 0.00 C ATOM 158 O VAL A 14 -5.771 -0.210 -2.784 1.00 0.00 O ATOM 159 CB VAL A 14 -5.689 -3.345 -1.805 1.00 0.00 C ATOM 160 CG1 VAL A 14 -4.351 -3.202 -2.534 1.00 0.00 C ATOM 161 CG2 VAL A 14 -5.516 -3.149 -0.297 1.00 0.00 C ATOM 0 H VAL A 14 -6.176 -1.909 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.680 -2.629 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.054 -4.358 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.631 -3.904 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.490 -3.415 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.978 -2.185 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.773 -3.853 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.184 -2.130 -0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.468 -3.325 0.204 1.00 0.00 H new ATOM 171 N ARG A 15 -6.932 -0.500 -0.865 1.00 0.00 N ATOM 172 CA ARG A 15 -6.729 0.864 -0.405 1.00 0.00 C ATOM 173 C ARG A 15 -6.194 0.866 1.028 1.00 0.00 C ATOM 174 O ARG A 15 -6.941 0.618 1.974 1.00 0.00 O ATOM 175 CB ARG A 15 -8.032 1.663 -0.458 1.00 0.00 C ATOM 176 CG ARG A 15 -8.448 1.938 -1.904 1.00 0.00 C ATOM 177 CD ARG A 15 -9.962 2.131 -2.012 1.00 0.00 C ATOM 178 NE ARG A 15 -10.279 3.567 -2.177 1.00 0.00 N ATOM 179 CZ ARG A 15 -10.409 4.430 -1.160 1.00 0.00 C ATOM 180 NH1 ARG A 15 -10.249 4.007 0.102 1.00 0.00 N ATOM 181 NH2 ARG A 15 -10.698 5.715 -1.404 1.00 0.00 N ATOM 0 H ARG A 15 -7.479 -1.086 -0.234 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.002 1.333 -1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.822 1.112 0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.906 2.606 0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.937 2.829 -2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.137 1.109 -2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.349 1.565 -2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.451 1.743 -1.119 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.407 3.922 -3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.028 3.029 0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.348 4.664 0.876 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.819 6.037 -2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.797 6.371 -0.630 1.00 0.00 H new ATOM 195 N VAL A 16 -4.905 1.150 1.145 1.00 0.00 N ATOM 196 CA VAL A 16 -4.263 1.189 2.448 1.00 0.00 C ATOM 197 C VAL A 16 -4.211 2.635 2.944 1.00 0.00 C ATOM 198 O VAL A 16 -3.579 3.487 2.321 1.00 0.00 O ATOM 199 CB VAL A 16 -2.882 0.534 2.369 1.00 0.00 C ATOM 200 CG1 VAL A 16 -2.114 0.715 3.680 1.00 0.00 C ATOM 201 CG2 VAL A 16 -2.997 -0.946 2.001 1.00 0.00 C ATOM 0 H VAL A 16 -4.288 1.355 0.359 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.839 0.617 3.175 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.320 1.032 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.136 0.240 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.985 1.778 3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.673 0.255 4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.001 -1.387 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.586 -1.464 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.485 -1.043 1.031 1.00 0.00 H new ATOM 211 N GLU A 17 -4.885 2.868 4.061 1.00 0.00 N ATOM 212 CA GLU A 17 -4.924 4.197 4.648 1.00 0.00 C ATOM 213 C GLU A 17 -3.660 4.451 5.471 1.00 0.00 C ATOM 214 O GLU A 17 -3.015 3.510 5.931 1.00 0.00 O ATOM 215 CB GLU A 17 -6.180 4.382 5.501 1.00 0.00 C ATOM 216 CG GLU A 17 -7.435 4.436 4.626 1.00 0.00 C ATOM 217 CD GLU A 17 -8.511 3.484 5.153 1.00 0.00 C ATOM 218 OE1 GLU A 17 -8.641 3.405 6.393 1.00 0.00 O ATOM 219 OE2 GLU A 17 -9.180 2.858 4.302 1.00 0.00 O ATOM 0 H GLU A 17 -5.408 2.159 4.575 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.961 4.929 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.264 3.561 6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.097 5.301 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.824 5.454 4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.180 4.170 3.600 1.00 0.00 H new ATOM 314 N LEU A 24 4.973 0.986 6.934 1.00 0.00 N ATOM 315 CA LEU A 24 3.656 0.687 6.397 1.00 0.00 C ATOM 316 C LEU A 24 3.057 -0.496 7.159 1.00 0.00 C ATOM 317 O LEU A 24 3.785 -1.295 7.745 1.00 0.00 O ATOM 318 CB LEU A 24 3.731 0.470 4.884 1.00 0.00 C ATOM 319 CG LEU A 24 3.072 1.546 4.019 1.00 0.00 C ATOM 320 CD1 LEU A 24 1.608 1.747 4.414 1.00 0.00 C ATOM 321 CD2 LEU A 24 3.865 2.854 4.071 1.00 0.00 C ATOM 0 HA LEU A 24 2.984 1.533 6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.780 0.395 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.268 -0.489 4.651 1.00 0.00 H new ATOM 0 HG LEU A 24 3.082 1.205 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.164 2.517 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.064 0.812 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.552 2.056 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.375 3.602 3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.910 3.212 5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.876 2.681 3.703 1.00 0.00 H new ATOM 333 N GLY A 25 1.734 -0.571 7.126 1.00 0.00 N ATOM 334 CA GLY A 25 1.028 -1.643 7.807 1.00 0.00 C ATOM 335 C GLY A 25 1.489 -3.011 7.299 1.00 0.00 C ATOM 336 O GLY A 25 1.232 -4.032 7.936 1.00 0.00 O ATOM 0 H GLY A 25 1.133 0.093 6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.201 -1.573 8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.045 -1.535 7.649 1.00 0.00 H new ATOM 340 N PHE A 26 2.161 -2.988 6.158 1.00 0.00 N ATOM 341 CA PHE A 26 2.660 -4.214 5.558 1.00 0.00 C ATOM 342 C PHE A 26 4.161 -4.117 5.280 1.00 0.00 C ATOM 343 O PHE A 26 4.695 -3.022 5.109 1.00 0.00 O ATOM 344 CB PHE A 26 1.919 -4.397 4.232 1.00 0.00 C ATOM 345 CG PHE A 26 2.073 -3.221 3.266 1.00 0.00 C ATOM 346 CD1 PHE A 26 1.462 -2.035 3.535 1.00 0.00 C ATOM 347 CD2 PHE A 26 2.819 -3.360 2.138 1.00 0.00 C ATOM 348 CE1 PHE A 26 1.605 -0.944 2.638 1.00 0.00 C ATOM 349 CE2 PHE A 26 2.962 -2.269 1.241 1.00 0.00 C ATOM 350 CZ PHE A 26 2.352 -1.083 1.510 1.00 0.00 C ATOM 0 H PHE A 26 2.372 -2.140 5.633 1.00 0.00 H new ATOM 0 HA PHE A 26 2.496 -5.053 6.235 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.282 -5.303 3.746 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.859 -4.549 4.438 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.869 -1.924 4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.303 -4.301 1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.120 -0.003 2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.555 -2.380 0.345 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.461 -0.252 0.828 1.00 0.00 H new ATOM 360 N SER A 27 4.800 -5.277 5.244 1.00 0.00 N ATOM 361 CA SER A 27 6.230 -5.336 4.989 1.00 0.00 C ATOM 362 C SER A 27 6.488 -5.847 3.570 1.00 0.00 C ATOM 363 O SER A 27 5.901 -6.842 3.149 1.00 0.00 O ATOM 364 CB SER A 27 6.934 -6.230 6.012 1.00 0.00 C ATOM 365 OG SER A 27 8.202 -5.705 6.396 1.00 0.00 O ATOM 0 H SER A 27 4.354 -6.183 5.387 1.00 0.00 H new ATOM 0 HA SER A 27 6.637 -4.329 5.085 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.304 -6.337 6.895 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.066 -7.227 5.592 1.00 0.00 H new ATOM 0 HG SER A 27 8.619 -6.303 7.051 1.00 0.00 H new ATOM 371 N VAL A 28 7.367 -5.143 2.873 1.00 0.00 N ATOM 372 CA VAL A 28 7.710 -5.513 1.510 1.00 0.00 C ATOM 373 C VAL A 28 9.162 -5.994 1.467 1.00 0.00 C ATOM 374 O VAL A 28 9.966 -5.629 2.324 1.00 0.00 O ATOM 375 CB VAL A 28 7.441 -4.339 0.566 1.00 0.00 C ATOM 376 CG1 VAL A 28 5.943 -4.189 0.292 1.00 0.00 C ATOM 377 CG2 VAL A 28 8.030 -3.041 1.123 1.00 0.00 C ATOM 0 H VAL A 28 7.852 -4.318 3.226 1.00 0.00 H new ATOM 0 HA VAL A 28 7.084 -6.337 1.169 1.00 0.00 H new ATOM 0 HB VAL A 28 7.936 -4.551 -0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.779 -3.348 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.564 -5.102 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.418 -4.011 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.825 -2.223 0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.578 -2.822 2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.108 -3.153 1.243 1.00 0.00 H new ATOM 387 N ARG A 29 9.453 -6.805 0.461 1.00 0.00 N ATOM 388 CA ARG A 29 10.794 -7.339 0.295 1.00 0.00 C ATOM 389 C ARG A 29 11.285 -7.107 -1.135 1.00 0.00 C ATOM 390 O ARG A 29 10.481 -6.937 -2.051 1.00 0.00 O ATOM 391 CB ARG A 29 10.832 -8.838 0.602 1.00 0.00 C ATOM 392 CG ARG A 29 9.988 -9.625 -0.402 1.00 0.00 C ATOM 393 CD ARG A 29 10.337 -11.114 -0.364 1.00 0.00 C ATOM 394 NE ARG A 29 11.652 -11.342 -1.004 1.00 0.00 N ATOM 395 CZ ARG A 29 12.209 -12.550 -1.167 1.00 0.00 C ATOM 396 NH1 ARG A 29 11.568 -13.646 -0.739 1.00 0.00 N ATOM 397 NH2 ARG A 29 13.406 -12.662 -1.759 1.00 0.00 N ATOM 0 H ARG A 29 8.783 -7.105 -0.247 1.00 0.00 H new ATOM 0 HA ARG A 29 11.447 -6.819 0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.862 -9.193 0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.462 -9.016 1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.930 -9.490 -0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.153 -9.235 -1.406 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.360 -11.464 0.668 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.568 -11.690 -0.879 1.00 0.00 H new ATOM 0 HE ARG A 29 12.167 -10.529 -1.342 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.656 -13.561 -0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.992 -14.566 -0.863 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.893 -11.828 -2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.830 -13.582 -1.883 1.00 0.00 H new ATOM 411 N GLY A 30 12.602 -7.107 -1.283 1.00 0.00 N ATOM 412 CA GLY A 30 13.209 -6.898 -2.586 1.00 0.00 C ATOM 413 C GLY A 30 13.395 -5.406 -2.872 1.00 0.00 C ATOM 414 O GLY A 30 13.743 -4.638 -1.977 1.00 0.00 O ATOM 0 H GLY A 30 13.266 -7.249 -0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.174 -7.403 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.583 -7.345 -3.359 1.00 0.00 H new ATOM 494 N GLY A 37 9.590 -5.516 -9.269 1.00 0.00 N ATOM 495 CA GLY A 37 8.923 -4.441 -8.555 1.00 0.00 C ATOM 496 C GLY A 37 8.972 -4.674 -7.043 1.00 0.00 C ATOM 497 O GLY A 37 9.912 -5.284 -6.536 1.00 0.00 O ATOM 0 HA2 GLY A 37 9.398 -3.490 -8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.886 -4.371 -8.882 1.00 0.00 H new ATOM 501 N ILE A 38 7.948 -4.175 -6.366 1.00 0.00 N ATOM 502 CA ILE A 38 7.863 -4.321 -4.923 1.00 0.00 C ATOM 503 C ILE A 38 6.938 -5.493 -4.587 1.00 0.00 C ATOM 504 O ILE A 38 5.879 -5.646 -5.193 1.00 0.00 O ATOM 505 CB ILE A 38 7.443 -3.000 -4.275 1.00 0.00 C ATOM 506 CG1 ILE A 38 8.338 -1.851 -4.743 1.00 0.00 C ATOM 507 CG2 ILE A 38 7.416 -3.122 -2.750 1.00 0.00 C ATOM 508 CD1 ILE A 38 9.753 -1.993 -4.178 1.00 0.00 C ATOM 0 H ILE A 38 7.170 -3.669 -6.790 1.00 0.00 H new ATOM 0 HA ILE A 38 8.842 -4.557 -4.505 1.00 0.00 H new ATOM 0 HB ILE A 38 6.428 -2.769 -4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.377 -1.836 -5.832 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.910 -0.900 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.115 -2.170 -2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.705 -3.895 -2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.409 -3.388 -2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.369 -1.164 -4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.713 -1.983 -3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.187 -2.934 -4.516 1.00 0.00 H new ATOM 520 N PHE A 39 7.372 -6.289 -3.621 1.00 0.00 N ATOM 521 CA PHE A 39 6.596 -7.442 -3.197 1.00 0.00 C ATOM 522 C PHE A 39 6.266 -7.362 -1.705 1.00 0.00 C ATOM 523 O PHE A 39 6.943 -6.664 -0.952 1.00 0.00 O ATOM 524 CB PHE A 39 7.459 -8.680 -3.450 1.00 0.00 C ATOM 525 CG PHE A 39 7.896 -8.846 -4.907 1.00 0.00 C ATOM 526 CD1 PHE A 39 8.854 -8.033 -5.427 1.00 0.00 C ATOM 527 CD2 PHE A 39 7.326 -9.807 -5.682 1.00 0.00 C ATOM 528 CE1 PHE A 39 9.259 -8.188 -6.779 1.00 0.00 C ATOM 529 CE2 PHE A 39 7.731 -9.962 -7.034 1.00 0.00 C ATOM 530 CZ PHE A 39 8.689 -9.149 -7.554 1.00 0.00 C ATOM 0 H PHE A 39 8.251 -6.158 -3.120 1.00 0.00 H new ATOM 0 HA PHE A 39 5.657 -7.481 -3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.346 -8.627 -2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.903 -9.567 -3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.307 -7.270 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.565 -10.453 -5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 39 10.020 -7.542 -7.192 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.278 -10.725 -7.649 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.997 -9.267 -8.582 1.00 0.00 H new ATOM 540 N VAL A 40 5.225 -8.087 -1.322 1.00 0.00 N ATOM 541 CA VAL A 40 4.796 -8.106 0.066 1.00 0.00 C ATOM 542 C VAL A 40 5.451 -9.290 0.780 1.00 0.00 C ATOM 543 O VAL A 40 5.686 -10.334 0.173 1.00 0.00 O ATOM 544 CB VAL A 40 3.268 -8.133 0.142 1.00 0.00 C ATOM 545 CG1 VAL A 40 2.785 -7.845 1.564 1.00 0.00 C ATOM 546 CG2 VAL A 40 2.653 -7.150 -0.856 1.00 0.00 C ATOM 0 H VAL A 40 4.666 -8.666 -1.949 1.00 0.00 H new ATOM 0 HA VAL A 40 5.117 -7.199 0.578 1.00 0.00 H new ATOM 0 HB VAL A 40 2.936 -9.136 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.696 -7.870 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.182 -8.600 2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.133 -6.860 1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.566 -7.189 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.996 -6.140 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.958 -7.420 -1.867 1.00 0.00 H new ATOM 556 N SER A 41 5.728 -9.088 2.060 1.00 0.00 N ATOM 557 CA SER A 41 6.351 -10.126 2.864 1.00 0.00 C ATOM 558 C SER A 41 5.495 -10.417 4.098 1.00 0.00 C ATOM 559 O SER A 41 5.196 -11.573 4.393 1.00 0.00 O ATOM 560 CB SER A 41 7.766 -9.723 3.282 1.00 0.00 C ATOM 561 OG SER A 41 7.823 -9.307 4.644 1.00 0.00 O ATOM 0 H SER A 41 5.532 -8.221 2.560 1.00 0.00 H new ATOM 0 HA SER A 41 6.423 -11.030 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.442 -10.565 3.132 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.117 -8.914 2.641 1.00 0.00 H new ATOM 0 HG SER A 41 8.743 -9.060 4.872 1.00 0.00 H new ATOM 567 N LYS A 42 5.125 -9.347 4.788 1.00 0.00 N ATOM 568 CA LYS A 42 4.310 -9.473 5.984 1.00 0.00 C ATOM 569 C LYS A 42 3.234 -8.384 5.979 1.00 0.00 C ATOM 570 O LYS A 42 3.405 -7.341 5.351 1.00 0.00 O ATOM 571 CB LYS A 42 5.189 -9.464 7.235 1.00 0.00 C ATOM 572 CG LYS A 42 4.377 -9.832 8.479 1.00 0.00 C ATOM 573 CD LYS A 42 4.072 -11.331 8.510 1.00 0.00 C ATOM 574 CE LYS A 42 2.821 -11.618 9.343 1.00 0.00 C ATOM 575 NZ LYS A 42 3.137 -12.552 10.448 1.00 0.00 N ATOM 0 H LYS A 42 5.375 -8.389 4.541 1.00 0.00 H new ATOM 0 HA LYS A 42 3.793 -10.433 5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.011 -10.169 7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.633 -8.477 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.930 -9.551 9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.445 -9.267 8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.929 -11.698 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.923 -11.870 8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.425 -10.687 9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.044 -12.045 8.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.277 -12.736 11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.494 -13.446 10.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.862 -12.130 11.062 1.00 0.00 H new ATOM 589 N VAL A 43 2.151 -8.665 6.688 1.00 0.00 N ATOM 590 CA VAL A 43 1.048 -7.723 6.774 1.00 0.00 C ATOM 591 C VAL A 43 0.525 -7.686 8.211 1.00 0.00 C ATOM 592 O VAL A 43 -0.189 -8.592 8.639 1.00 0.00 O ATOM 593 CB VAL A 43 -0.032 -8.087 5.753 1.00 0.00 C ATOM 594 CG1 VAL A 43 -1.333 -7.334 6.040 1.00 0.00 C ATOM 595 CG2 VAL A 43 0.450 -7.824 4.326 1.00 0.00 C ATOM 0 H VAL A 43 2.014 -9.532 7.208 1.00 0.00 H new ATOM 0 HA VAL A 43 1.385 -6.717 6.525 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.234 -9.154 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.084 -7.610 5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.692 -7.594 7.036 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.151 -6.261 5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.337 -8.091 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.695 -6.768 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.337 -8.425 4.125 1.00 0.00 H new ATOM 605 N GLU A 44 0.900 -6.629 8.917 1.00 0.00 N ATOM 606 CA GLU A 44 0.478 -6.463 10.297 1.00 0.00 C ATOM 607 C GLU A 44 -1.011 -6.787 10.439 1.00 0.00 C ATOM 608 O GLU A 44 -1.846 -6.194 9.758 1.00 0.00 O ATOM 609 CB GLU A 44 0.781 -5.049 10.796 1.00 0.00 C ATOM 610 CG GLU A 44 1.493 -5.086 12.150 1.00 0.00 C ATOM 611 CD GLU A 44 1.144 -3.854 12.987 1.00 0.00 C ATOM 612 OE1 GLU A 44 -0.070 -3.590 13.130 1.00 0.00 O ATOM 613 OE2 GLU A 44 2.098 -3.204 13.466 1.00 0.00 O ATOM 0 H GLU A 44 1.492 -5.879 8.559 1.00 0.00 H new ATOM 0 HA GLU A 44 1.043 -7.160 10.916 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.403 -4.528 10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.147 -4.484 10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.209 -5.989 12.690 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.571 -5.132 11.997 1.00 0.00 H new ATOM 620 N GLU A 45 -1.297 -7.726 11.329 1.00 0.00 N ATOM 621 CA GLU A 45 -2.670 -8.136 11.569 1.00 0.00 C ATOM 622 C GLU A 45 -3.471 -6.980 12.170 1.00 0.00 C ATOM 623 O GLU A 45 -2.896 -6.014 12.669 1.00 0.00 O ATOM 624 CB GLU A 45 -2.723 -9.369 12.474 1.00 0.00 C ATOM 625 CG GLU A 45 -2.670 -8.968 13.950 1.00 0.00 C ATOM 626 CD GLU A 45 -2.296 -10.163 14.829 1.00 0.00 C ATOM 627 OE1 GLU A 45 -2.967 -11.207 14.683 1.00 0.00 O ATOM 628 OE2 GLU A 45 -1.347 -10.006 15.627 1.00 0.00 O ATOM 0 H GLU A 45 -0.601 -8.215 11.893 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.121 -8.407 10.614 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.637 -9.929 12.278 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.888 -10.030 12.243 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.942 -8.169 14.088 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.638 -8.574 14.259 1.00 0.00 H new ATOM 635 N GLY A 46 -4.788 -7.116 12.101 1.00 0.00 N ATOM 636 CA GLY A 46 -5.674 -6.094 12.632 1.00 0.00 C ATOM 637 C GLY A 46 -5.227 -4.698 12.193 1.00 0.00 C ATOM 638 O GLY A 46 -5.474 -3.715 12.890 1.00 0.00 O ATOM 0 H GLY A 46 -5.262 -7.918 11.686 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.693 -6.278 12.290 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.688 -6.150 13.720 1.00 0.00 H new ATOM 642 N SER A 47 -4.577 -4.656 11.039 1.00 0.00 N ATOM 643 CA SER A 47 -4.093 -3.396 10.499 1.00 0.00 C ATOM 644 C SER A 47 -4.977 -2.954 9.331 1.00 0.00 C ATOM 645 O SER A 47 -5.951 -3.627 8.995 1.00 0.00 O ATOM 646 CB SER A 47 -2.637 -3.514 10.047 1.00 0.00 C ATOM 647 OG SER A 47 -2.531 -3.944 8.692 1.00 0.00 O ATOM 0 H SER A 47 -4.374 -5.473 10.463 1.00 0.00 H new ATOM 0 HA SER A 47 -4.141 -2.645 11.287 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.143 -2.549 10.161 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.113 -4.219 10.693 1.00 0.00 H new ATOM 0 HG SER A 47 -2.361 -4.909 8.667 1.00 0.00 H new ATOM 653 N SER A 48 -4.607 -1.826 8.744 1.00 0.00 N ATOM 654 CA SER A 48 -5.354 -1.286 7.621 1.00 0.00 C ATOM 655 C SER A 48 -5.102 -2.131 6.370 1.00 0.00 C ATOM 656 O SER A 48 -5.995 -2.301 5.542 1.00 0.00 O ATOM 657 CB SER A 48 -4.977 0.174 7.359 1.00 0.00 C ATOM 658 OG SER A 48 -6.122 0.982 7.100 1.00 0.00 O ATOM 0 H SER A 48 -3.799 -1.271 9.025 1.00 0.00 H new ATOM 0 HA SER A 48 -6.415 -1.321 7.868 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.441 0.570 8.221 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.297 0.226 6.509 1.00 0.00 H new ATOM 0 HG SER A 48 -6.017 1.850 7.543 1.00 0.00 H new ATOM 664 N ALA A 49 -3.881 -2.638 6.273 1.00 0.00 N ATOM 665 CA ALA A 49 -3.501 -3.461 5.138 1.00 0.00 C ATOM 666 C ALA A 49 -4.396 -4.701 5.089 1.00 0.00 C ATOM 667 O ALA A 49 -5.241 -4.827 4.204 1.00 0.00 O ATOM 668 CB ALA A 49 -2.017 -3.817 5.240 1.00 0.00 C ATOM 0 H ALA A 49 -3.143 -2.494 6.962 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.642 -2.916 4.205 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.732 -4.435 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.423 -2.903 5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.837 -4.367 6.164 1.00 0.00 H new ATOM 674 N GLU A 50 -4.181 -5.585 6.053 1.00 0.00 N ATOM 675 CA GLU A 50 -4.957 -6.810 6.131 1.00 0.00 C ATOM 676 C GLU A 50 -6.439 -6.517 5.885 1.00 0.00 C ATOM 677 O GLU A 50 -7.165 -7.362 5.364 1.00 0.00 O ATOM 678 CB GLU A 50 -4.752 -7.504 7.479 1.00 0.00 C ATOM 679 CG GLU A 50 -4.445 -8.991 7.290 1.00 0.00 C ATOM 680 CD GLU A 50 -5.193 -9.841 8.319 1.00 0.00 C ATOM 681 OE1 GLU A 50 -6.411 -10.034 8.117 1.00 0.00 O ATOM 682 OE2 GLU A 50 -4.529 -10.278 9.284 1.00 0.00 O ATOM 0 H GLU A 50 -3.480 -5.476 6.786 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.607 -7.488 5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.934 -7.026 8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.647 -7.389 8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.728 -9.299 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.372 -9.159 7.385 1.00 0.00 H new ATOM 689 N ARG A 51 -6.843 -5.315 6.272 1.00 0.00 N ATOM 690 CA ARG A 51 -8.225 -4.900 6.099 1.00 0.00 C ATOM 691 C ARG A 51 -8.463 -4.433 4.662 1.00 0.00 C ATOM 692 O ARG A 51 -9.507 -4.720 4.077 1.00 0.00 O ATOM 693 CB ARG A 51 -8.583 -3.766 7.063 1.00 0.00 C ATOM 694 CG ARG A 51 -8.853 -4.306 8.469 1.00 0.00 C ATOM 695 CD ARG A 51 -9.385 -3.204 9.386 1.00 0.00 C ATOM 696 NE ARG A 51 -8.370 -2.861 10.407 1.00 0.00 N ATOM 697 CZ ARG A 51 -8.493 -1.853 11.281 1.00 0.00 C ATOM 698 NH1 ARG A 51 -9.588 -1.081 11.263 1.00 0.00 N ATOM 699 NH2 ARG A 51 -7.521 -1.616 12.172 1.00 0.00 N ATOM 0 H ARG A 51 -6.238 -4.616 6.704 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.860 -5.760 6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.768 -3.043 7.098 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.463 -3.237 6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.575 -5.121 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.935 -4.720 8.886 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.635 -2.320 8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.303 -3.535 9.871 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.523 -3.428 10.448 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.328 -1.261 10.584 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.682 -0.314 11.928 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.687 -2.203 12.185 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.615 -0.848 12.837 1.00 0.00 H new ATOM 713 N ALA A 52 -7.479 -3.720 4.134 1.00 0.00 N ATOM 714 CA ALA A 52 -7.569 -3.211 2.776 1.00 0.00 C ATOM 715 C ALA A 52 -7.614 -4.386 1.797 1.00 0.00 C ATOM 716 O ALA A 52 -8.085 -4.241 0.670 1.00 0.00 O ATOM 717 CB ALA A 52 -6.393 -2.271 2.504 1.00 0.00 C ATOM 0 H ALA A 52 -6.615 -3.483 4.622 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.485 -2.635 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.460 -1.889 1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.423 -1.438 3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.456 -2.815 2.626 1.00 0.00 H new ATOM 723 N GLY A 53 -7.119 -5.523 2.264 1.00 0.00 N ATOM 724 CA GLY A 53 -7.098 -6.722 1.443 1.00 0.00 C ATOM 725 C GLY A 53 -5.664 -7.205 1.217 1.00 0.00 C ATOM 726 O GLY A 53 -5.449 -8.310 0.719 1.00 0.00 O ATOM 0 H GLY A 53 -6.730 -5.639 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.679 -7.508 1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.573 -6.519 0.483 1.00 0.00 H new ATOM 730 N LEU A 54 -4.720 -6.355 1.593 1.00 0.00 N ATOM 731 CA LEU A 54 -3.313 -6.681 1.437 1.00 0.00 C ATOM 732 C LEU A 54 -2.947 -7.813 2.399 1.00 0.00 C ATOM 733 O LEU A 54 -3.186 -7.712 3.601 1.00 0.00 O ATOM 734 CB LEU A 54 -2.451 -5.429 1.604 1.00 0.00 C ATOM 735 CG LEU A 54 -0.994 -5.552 1.151 1.00 0.00 C ATOM 736 CD1 LEU A 54 -0.889 -5.511 -0.375 1.00 0.00 C ATOM 737 CD2 LEU A 54 -0.122 -4.484 1.814 1.00 0.00 C ATOM 0 H LEU A 54 -4.902 -5.440 2.006 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.115 -7.043 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.916 -4.615 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.461 -5.143 2.656 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.617 -6.522 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.156 -5.600 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.458 -6.337 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.290 -4.566 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.908 -4.594 1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.490 -3.494 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.162 -4.602 2.897 1.00 0.00 H new ATOM 749 N CYS A 55 -2.372 -8.865 1.834 1.00 0.00 N ATOM 750 CA CYS A 55 -1.971 -10.014 2.627 1.00 0.00 C ATOM 751 C CYS A 55 -0.545 -10.399 2.227 1.00 0.00 C ATOM 752 O CYS A 55 0.113 -9.673 1.484 1.00 0.00 O ATOM 753 CB CYS A 55 -2.945 -11.183 2.463 1.00 0.00 C ATOM 754 SG CYS A 55 -4.051 -11.285 3.917 1.00 0.00 S ATOM 0 H CYS A 55 -2.174 -8.945 0.837 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.993 -9.754 3.685 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.535 -11.051 1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.391 -12.115 2.351 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.875 -12.279 3.766 1.00 0.00 H new ATOM 760 N VAL A 56 -0.109 -11.541 2.738 1.00 0.00 N ATOM 761 CA VAL A 56 1.227 -12.031 2.444 1.00 0.00 C ATOM 762 C VAL A 56 1.182 -12.891 1.179 1.00 0.00 C ATOM 763 O VAL A 56 0.227 -13.635 0.963 1.00 0.00 O ATOM 764 CB VAL A 56 1.789 -12.779 3.655 1.00 0.00 C ATOM 765 CG1 VAL A 56 2.920 -13.721 3.241 1.00 0.00 C ATOM 766 CG2 VAL A 56 2.257 -11.800 4.734 1.00 0.00 C ATOM 0 H VAL A 56 -0.657 -12.141 3.354 1.00 0.00 H new ATOM 0 HA VAL A 56 1.905 -11.200 2.249 1.00 0.00 H new ATOM 0 HB VAL A 56 0.987 -13.385 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.301 -14.240 4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.542 -14.450 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.724 -13.145 2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.652 -12.357 5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.037 -11.156 4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.416 -11.189 5.060 1.00 0.00 H new ATOM 776 N GLY A 57 2.228 -12.760 0.376 1.00 0.00 N ATOM 777 CA GLY A 57 2.321 -13.515 -0.862 1.00 0.00 C ATOM 778 C GLY A 57 1.721 -12.730 -2.030 1.00 0.00 C ATOM 779 O GLY A 57 1.004 -13.291 -2.857 1.00 0.00 O ATOM 0 H GLY A 57 3.019 -12.142 0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.365 -13.747 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.799 -14.466 -0.752 1.00 0.00 H new ATOM 783 N ASP A 58 2.036 -11.443 -2.060 1.00 0.00 N ATOM 784 CA ASP A 58 1.537 -10.575 -3.113 1.00 0.00 C ATOM 785 C ASP A 58 2.714 -9.859 -3.778 1.00 0.00 C ATOM 786 O ASP A 58 3.791 -9.751 -3.193 1.00 0.00 O ATOM 787 CB ASP A 58 0.594 -9.510 -2.548 1.00 0.00 C ATOM 788 CG ASP A 58 -0.850 -9.970 -2.339 1.00 0.00 C ATOM 789 OD1 ASP A 58 -1.502 -10.272 -3.362 1.00 0.00 O ATOM 790 OD2 ASP A 58 -1.268 -10.009 -1.162 1.00 0.00 O ATOM 0 H ASP A 58 2.630 -10.981 -1.372 1.00 0.00 H new ATOM 0 HA ASP A 58 0.996 -11.192 -3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.991 -9.164 -1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.593 -8.653 -3.222 1.00 0.00 H new ATOM 795 N LYS A 59 2.469 -9.389 -4.993 1.00 0.00 N ATOM 796 CA LYS A 59 3.496 -8.687 -5.744 1.00 0.00 C ATOM 797 C LYS A 59 2.923 -7.372 -6.276 1.00 0.00 C ATOM 798 O LYS A 59 2.258 -7.353 -7.310 1.00 0.00 O ATOM 799 CB LYS A 59 4.075 -9.591 -6.835 1.00 0.00 C ATOM 800 CG LYS A 59 4.914 -8.784 -7.828 1.00 0.00 C ATOM 801 CD LYS A 59 5.099 -9.551 -9.138 1.00 0.00 C ATOM 802 CE LYS A 59 5.196 -8.591 -10.326 1.00 0.00 C ATOM 803 NZ LYS A 59 6.225 -9.054 -11.284 1.00 0.00 N ATOM 0 H LYS A 59 1.575 -9.481 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 59 4.334 -8.432 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.690 -10.367 -6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.265 -10.095 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.429 -7.828 -8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.888 -8.562 -7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.002 -10.160 -9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.262 -10.234 -9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.230 -8.523 -10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.444 -7.590 -9.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.278 -8.391 -12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.149 -9.096 -10.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.973 -10.000 -11.634 1.00 0.00 H new ATOM 817 N ILE A 60 3.202 -6.303 -5.544 1.00 0.00 N ATOM 818 CA ILE A 60 2.722 -4.986 -5.929 1.00 0.00 C ATOM 819 C ILE A 60 3.461 -4.527 -7.187 1.00 0.00 C ATOM 820 O ILE A 60 4.671 -4.304 -7.154 1.00 0.00 O ATOM 821 CB ILE A 60 2.837 -4.010 -4.756 1.00 0.00 C ATOM 822 CG1 ILE A 60 1.951 -4.448 -3.589 1.00 0.00 C ATOM 823 CG2 ILE A 60 2.532 -2.579 -5.203 1.00 0.00 C ATOM 824 CD1 ILE A 60 2.679 -4.278 -2.254 1.00 0.00 C ATOM 0 H ILE A 60 3.754 -6.322 -4.687 1.00 0.00 H new ATOM 0 HA ILE A 60 1.662 -5.024 -6.178 1.00 0.00 H new ATOM 0 HB ILE A 60 3.867 -4.023 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.033 -3.860 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.661 -5.491 -3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.621 -1.905 -4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.240 -2.281 -5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.518 -2.530 -5.600 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.027 -4.597 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.584 -4.886 -2.253 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.946 -3.230 -2.116 1.00 0.00 H new ATOM 836 N THR A 61 2.704 -4.399 -8.266 1.00 0.00 N ATOM 837 CA THR A 61 3.272 -3.970 -9.533 1.00 0.00 C ATOM 838 C THR A 61 3.124 -2.456 -9.698 1.00 0.00 C ATOM 839 O THR A 61 3.978 -1.807 -10.301 1.00 0.00 O ATOM 840 CB THR A 61 2.599 -4.772 -10.649 1.00 0.00 C ATOM 841 OG1 THR A 61 1.267 -4.269 -10.683 1.00 0.00 O ATOM 842 CG2 THR A 61 2.431 -6.249 -10.289 1.00 0.00 C ATOM 0 H THR A 61 1.701 -4.585 -8.289 1.00 0.00 H new ATOM 0 HA THR A 61 4.343 -4.167 -9.573 1.00 0.00 H new ATOM 0 HB THR A 61 3.187 -4.686 -11.563 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.806 -4.507 -9.852 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.949 -6.772 -11.115 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.409 -6.691 -10.101 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.815 -6.338 -9.394 1.00 0.00 H new ATOM 850 N GLU A 62 2.034 -1.937 -9.153 1.00 0.00 N ATOM 851 CA GLU A 62 1.763 -0.512 -9.233 1.00 0.00 C ATOM 852 C GLU A 62 1.042 -0.037 -7.969 1.00 0.00 C ATOM 853 O GLU A 62 0.372 -0.822 -7.301 1.00 0.00 O ATOM 854 CB GLU A 62 0.951 -0.177 -10.485 1.00 0.00 C ATOM 855 CG GLU A 62 0.317 1.211 -10.373 1.00 0.00 C ATOM 856 CD GLU A 62 -0.546 1.520 -11.598 1.00 0.00 C ATOM 857 OE1 GLU A 62 0.047 1.666 -12.688 1.00 0.00 O ATOM 858 OE2 GLU A 62 -1.780 1.603 -11.417 1.00 0.00 O ATOM 0 H GLU A 62 1.328 -2.478 -8.654 1.00 0.00 H new ATOM 0 HA GLU A 62 2.714 0.015 -9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.596 -0.216 -11.362 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.172 -0.926 -10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.293 1.264 -9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.098 1.965 -10.275 1.00 0.00 H new ATOM 865 N VAL A 63 1.205 1.246 -7.680 1.00 0.00 N ATOM 866 CA VAL A 63 0.578 1.834 -6.509 1.00 0.00 C ATOM 867 C VAL A 63 0.125 3.258 -6.840 1.00 0.00 C ATOM 868 O VAL A 63 0.781 3.960 -7.606 1.00 0.00 O ATOM 869 CB VAL A 63 1.536 1.774 -5.317 1.00 0.00 C ATOM 870 CG1 VAL A 63 0.823 2.165 -4.021 1.00 0.00 C ATOM 871 CG2 VAL A 63 2.174 0.388 -5.196 1.00 0.00 C ATOM 0 H VAL A 63 1.762 1.894 -8.237 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.309 1.268 -6.225 1.00 0.00 H new ATOM 0 HB VAL A 63 2.334 2.496 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.526 2.114 -3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.439 3.181 -4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.004 1.479 -3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.850 0.372 -4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.394 -0.361 -5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.733 0.164 -6.105 1.00 0.00 H new ATOM 881 N ASN A 64 -0.996 3.640 -6.245 1.00 0.00 N ATOM 882 CA ASN A 64 -1.545 4.967 -6.466 1.00 0.00 C ATOM 883 C ASN A 64 -1.349 5.357 -7.933 1.00 0.00 C ATOM 884 O ASN A 64 -1.155 6.530 -8.246 1.00 0.00 O ATOM 885 CB ASN A 64 -0.834 6.010 -5.601 1.00 0.00 C ATOM 886 CG ASN A 64 -1.838 6.810 -4.770 1.00 0.00 C ATOM 887 OD1 ASN A 64 -2.732 7.460 -5.287 1.00 0.00 O ATOM 888 ND2 ASN A 64 -1.642 6.728 -3.458 1.00 0.00 N ATOM 0 H ASN A 64 -1.539 3.054 -5.611 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.603 4.942 -6.203 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.122 5.515 -4.940 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.262 6.686 -6.237 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.260 7.227 -2.818 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.874 6.166 -3.091 1.00 0.00 H new ATOM 895 N GLY A 65 -1.408 4.350 -8.792 1.00 0.00 N ATOM 896 CA GLY A 65 -1.239 4.573 -10.218 1.00 0.00 C ATOM 897 C GLY A 65 0.235 4.477 -10.618 1.00 0.00 C ATOM 898 O GLY A 65 0.568 3.861 -11.629 1.00 0.00 O ATOM 0 H GLY A 65 -1.570 3.378 -8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.819 3.838 -10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.628 5.556 -10.485 1.00 0.00 H new ATOM 902 N LEU A 66 1.077 5.095 -9.803 1.00 0.00 N ATOM 903 CA LEU A 66 2.507 5.087 -10.059 1.00 0.00 C ATOM 904 C LEU A 66 2.998 3.640 -10.142 1.00 0.00 C ATOM 905 O LEU A 66 2.857 2.878 -9.187 1.00 0.00 O ATOM 906 CB LEU A 66 3.243 5.927 -9.014 1.00 0.00 C ATOM 907 CG LEU A 66 3.314 7.431 -9.290 1.00 0.00 C ATOM 908 CD1 LEU A 66 4.603 7.792 -10.032 1.00 0.00 C ATOM 909 CD2 LEU A 66 2.068 7.910 -10.039 1.00 0.00 C ATOM 0 H LEU A 66 0.796 5.604 -8.965 1.00 0.00 H new ATOM 0 HA LEU A 66 2.725 5.553 -11.020 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.758 5.777 -8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.260 5.546 -8.922 1.00 0.00 H new ATOM 0 HG LEU A 66 3.336 7.954 -8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.628 8.866 -10.216 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.463 7.507 -9.427 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.636 7.260 -10.983 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.143 8.982 -10.223 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.990 7.383 -10.990 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.182 7.706 -9.438 1.00 0.00 H new ATOM 921 N SER A 67 3.565 3.306 -11.292 1.00 0.00 N ATOM 922 CA SER A 67 4.077 1.964 -11.511 1.00 0.00 C ATOM 923 C SER A 67 5.378 1.767 -10.731 1.00 0.00 C ATOM 924 O SER A 67 6.281 2.599 -10.801 1.00 0.00 O ATOM 925 CB SER A 67 4.307 1.699 -13.001 1.00 0.00 C ATOM 926 OG SER A 67 5.066 0.514 -13.221 1.00 0.00 O ATOM 0 H SER A 67 3.681 3.941 -12.082 1.00 0.00 H new ATOM 0 HA SER A 67 3.334 1.252 -11.153 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.345 1.613 -13.507 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.825 2.549 -13.445 1.00 0.00 H new ATOM 0 HG SER A 67 5.190 0.379 -14.184 1.00 0.00 H new ATOM 932 N LEU A 68 5.433 0.660 -10.004 1.00 0.00 N ATOM 933 CA LEU A 68 6.608 0.343 -9.211 1.00 0.00 C ATOM 934 C LEU A 68 7.351 -0.830 -9.855 1.00 0.00 C ATOM 935 O LEU A 68 7.977 -1.629 -9.161 1.00 0.00 O ATOM 936 CB LEU A 68 6.220 0.097 -7.752 1.00 0.00 C ATOM 937 CG LEU A 68 5.499 1.248 -7.047 1.00 0.00 C ATOM 938 CD1 LEU A 68 5.378 0.982 -5.545 1.00 0.00 C ATOM 939 CD2 LEU A 68 6.183 2.585 -7.340 1.00 0.00 C ATOM 0 H LEU A 68 4.682 -0.028 -9.948 1.00 0.00 H new ATOM 0 HA LEU A 68 7.296 1.188 -9.196 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.581 -0.785 -7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.124 -0.137 -7.191 1.00 0.00 H new ATOM 0 HG LEU A 68 4.486 1.311 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.862 1.815 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.813 0.064 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.373 0.877 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.651 3.386 -6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.214 2.551 -6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.172 2.772 -8.414 1.00 0.00 H new ATOM 951 N GLU A 69 7.258 -0.894 -11.175 1.00 0.00 N ATOM 952 CA GLU A 69 7.914 -1.956 -11.920 1.00 0.00 C ATOM 953 C GLU A 69 9.361 -1.569 -12.233 1.00 0.00 C ATOM 954 O GLU A 69 9.616 -0.806 -13.164 1.00 0.00 O ATOM 955 CB GLU A 69 7.144 -2.282 -13.202 1.00 0.00 C ATOM 956 CG GLU A 69 6.032 -3.297 -12.930 1.00 0.00 C ATOM 957 CD GLU A 69 5.966 -4.348 -14.040 1.00 0.00 C ATOM 958 OE1 GLU A 69 6.955 -5.102 -14.167 1.00 0.00 O ATOM 959 OE2 GLU A 69 4.928 -4.374 -14.736 1.00 0.00 O ATOM 0 H GLU A 69 6.739 -0.229 -11.748 1.00 0.00 H new ATOM 0 HA GLU A 69 7.924 -2.854 -11.303 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.715 -1.369 -13.615 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.829 -2.679 -13.951 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.207 -3.786 -11.972 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.075 -2.782 -12.855 1.00 0.00 H new ATOM 966 N SER A 70 10.270 -2.112 -11.438 1.00 0.00 N ATOM 967 CA SER A 70 11.685 -1.833 -11.618 1.00 0.00 C ATOM 968 C SER A 70 12.059 -0.537 -10.897 1.00 0.00 C ATOM 969 O SER A 70 13.015 0.137 -11.279 1.00 0.00 O ATOM 970 CB SER A 70 12.042 -1.737 -13.103 1.00 0.00 C ATOM 971 OG SER A 70 13.347 -2.242 -13.372 1.00 0.00 O ATOM 0 H SER A 70 10.055 -2.744 -10.667 1.00 0.00 H new ATOM 0 HA SER A 70 12.254 -2.657 -11.188 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.310 -2.293 -13.689 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.983 -0.697 -13.424 1.00 0.00 H new ATOM 0 HG SER A 70 13.537 -2.165 -14.330 1.00 0.00 H new ATOM 977 N THR A 71 11.285 -0.225 -9.868 1.00 0.00 N ATOM 978 CA THR A 71 11.523 0.979 -9.090 1.00 0.00 C ATOM 979 C THR A 71 12.210 0.632 -7.767 1.00 0.00 C ATOM 980 O THR A 71 11.982 -0.439 -7.207 1.00 0.00 O ATOM 981 CB THR A 71 10.185 1.698 -8.910 1.00 0.00 C ATOM 982 OG1 THR A 71 10.045 2.473 -10.097 1.00 0.00 O ATOM 983 CG2 THR A 71 10.225 2.738 -7.788 1.00 0.00 C ATOM 0 H THR A 71 10.492 -0.785 -9.555 1.00 0.00 H new ATOM 0 HA THR A 71 12.204 1.655 -9.606 1.00 0.00 H new ATOM 0 HB THR A 71 9.405 0.966 -8.698 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.202 2.971 -10.065 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.250 3.219 -7.703 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.472 2.248 -6.846 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.981 3.489 -8.015 1.00 0.00 H new ATOM 991 N THR A 72 13.037 1.559 -7.306 1.00 0.00 N ATOM 992 CA THR A 72 13.758 1.365 -6.059 1.00 0.00 C ATOM 993 C THR A 72 12.780 1.266 -4.887 1.00 0.00 C ATOM 994 O THR A 72 11.607 1.612 -5.022 1.00 0.00 O ATOM 995 CB THR A 72 14.767 2.505 -5.914 1.00 0.00 C ATOM 996 OG1 THR A 72 15.343 2.298 -4.627 1.00 0.00 O ATOM 997 CG2 THR A 72 14.092 3.874 -5.805 1.00 0.00 C ATOM 0 H THR A 72 13.224 2.446 -7.773 1.00 0.00 H new ATOM 0 HA THR A 72 14.308 0.424 -6.063 1.00 0.00 H new ATOM 0 HB THR A 72 15.444 2.501 -6.768 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.011 2.993 -4.452 1.00 0.00 H new ATOM 0 HG21 THR A 72 14.853 4.648 -5.704 1.00 0.00 H new ATOM 0 HG22 THR A 72 13.501 4.061 -6.702 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.440 3.890 -4.931 1.00 0.00 H new ATOM 1005 N MET A 73 13.298 0.792 -3.764 1.00 0.00 N ATOM 1006 CA MET A 73 12.485 0.643 -2.569 1.00 0.00 C ATOM 1007 C MET A 73 12.210 2.002 -1.921 1.00 0.00 C ATOM 1008 O MET A 73 11.056 2.363 -1.694 1.00 0.00 O ATOM 1009 CB MET A 73 13.207 -0.263 -1.569 1.00 0.00 C ATOM 1010 CG MET A 73 12.279 -0.660 -0.420 1.00 0.00 C ATOM 1011 SD MET A 73 10.832 -1.486 -1.061 1.00 0.00 S ATOM 1012 CE MET A 73 11.010 -3.078 -0.274 1.00 0.00 C ATOM 0 H MET A 73 14.271 0.506 -3.656 1.00 0.00 H new ATOM 0 HA MET A 73 11.532 0.197 -2.854 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.566 -1.158 -2.077 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.083 0.252 -1.173 1.00 0.00 H new ATOM 0 HG2 MET A 73 12.805 -1.316 0.273 1.00 0.00 H new ATOM 0 HG3 MET A 73 11.983 0.226 0.142 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.130 -3.687 -0.482 1.00 0.00 H new ATOM 0 HE2 MET A 73 11.897 -3.578 -0.662 1.00 0.00 H new ATOM 0 HE3 MET A 73 11.111 -2.942 0.803 1.00 0.00 H new ATOM 1022 N GLY A 74 13.289 2.717 -1.640 1.00 0.00 N ATOM 1023 CA GLY A 74 13.178 4.028 -1.022 1.00 0.00 C ATOM 1024 C GLY A 74 12.014 4.819 -1.621 1.00 0.00 C ATOM 1025 O GLY A 74 11.005 5.045 -0.955 1.00 0.00 O ATOM 0 H GLY A 74 14.244 2.414 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.032 3.916 0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.108 4.580 -1.162 1.00 0.00 H new ATOM 1029 N SER A 75 12.193 5.219 -2.871 1.00 0.00 N ATOM 1030 CA SER A 75 11.169 5.981 -3.567 1.00 0.00 C ATOM 1031 C SER A 75 9.786 5.412 -3.248 1.00 0.00 C ATOM 1032 O SER A 75 8.901 6.138 -2.798 1.00 0.00 O ATOM 1033 CB SER A 75 11.410 5.974 -5.078 1.00 0.00 C ATOM 1034 OG SER A 75 12.375 6.947 -5.469 1.00 0.00 O ATOM 0 H SER A 75 13.031 5.030 -3.420 1.00 0.00 H new ATOM 0 HA SER A 75 11.218 7.014 -3.223 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.747 4.985 -5.387 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.470 6.167 -5.596 1.00 0.00 H new ATOM 0 HG SER A 75 12.502 6.910 -6.440 1.00 0.00 H new ATOM 1040 N ALA A 76 9.642 4.117 -3.492 1.00 0.00 N ATOM 1041 CA ALA A 76 8.381 3.443 -3.236 1.00 0.00 C ATOM 1042 C ALA A 76 7.940 3.724 -1.798 1.00 0.00 C ATOM 1043 O ALA A 76 6.838 4.218 -1.569 1.00 0.00 O ATOM 1044 CB ALA A 76 8.536 1.947 -3.517 1.00 0.00 C ATOM 0 H ALA A 76 10.378 3.517 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 76 7.602 3.820 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.590 1.441 -3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.821 1.800 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.307 1.533 -2.868 1.00 0.00 H new ATOM 1050 N VAL A 77 8.824 3.395 -0.867 1.00 0.00 N ATOM 1051 CA VAL A 77 8.540 3.606 0.542 1.00 0.00 C ATOM 1052 C VAL A 77 7.946 5.003 0.735 1.00 0.00 C ATOM 1053 O VAL A 77 6.893 5.154 1.352 1.00 0.00 O ATOM 1054 CB VAL A 77 9.805 3.375 1.371 1.00 0.00 C ATOM 1055 CG1 VAL A 77 9.578 3.756 2.835 1.00 0.00 C ATOM 1056 CG2 VAL A 77 10.283 1.926 1.249 1.00 0.00 C ATOM 0 H VAL A 77 9.737 2.984 -1.061 1.00 0.00 H new ATOM 0 HA VAL A 77 7.800 2.887 0.894 1.00 0.00 H new ATOM 0 HB VAL A 77 10.588 4.021 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.492 3.582 3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.306 4.810 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.773 3.148 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.183 1.788 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.503 1.254 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.503 1.702 0.205 1.00 0.00 H new ATOM 1066 N LYS A 78 8.648 5.989 0.196 1.00 0.00 N ATOM 1067 CA LYS A 78 8.203 7.368 0.300 1.00 0.00 C ATOM 1068 C LYS A 78 6.711 7.445 -0.027 1.00 0.00 C ATOM 1069 O LYS A 78 5.887 7.665 0.859 1.00 0.00 O ATOM 1070 CB LYS A 78 9.071 8.279 -0.570 1.00 0.00 C ATOM 1071 CG LYS A 78 9.638 9.442 0.248 1.00 0.00 C ATOM 1072 CD LYS A 78 10.092 10.583 -0.664 1.00 0.00 C ATOM 1073 CE LYS A 78 10.981 11.571 0.094 1.00 0.00 C ATOM 1074 NZ LYS A 78 12.405 11.353 -0.246 1.00 0.00 N ATOM 0 H LYS A 78 9.522 5.860 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 78 8.325 7.731 1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.888 7.703 -1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.479 8.667 -1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.881 9.806 0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.479 9.094 0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.638 10.177 -1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.221 11.104 -1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.694 12.593 -0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.835 11.451 1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.995 12.032 0.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.679 10.384 0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.543 11.490 -1.268 1.00 0.00 H new ATOM 1088 N VAL A 79 6.407 7.258 -1.304 1.00 0.00 N ATOM 1089 CA VAL A 79 5.028 7.304 -1.759 1.00 0.00 C ATOM 1090 C VAL A 79 4.184 6.351 -0.911 1.00 0.00 C ATOM 1091 O VAL A 79 3.046 6.665 -0.566 1.00 0.00 O ATOM 1092 CB VAL A 79 4.961 6.991 -3.256 1.00 0.00 C ATOM 1093 CG1 VAL A 79 3.576 7.310 -3.821 1.00 0.00 C ATOM 1094 CG2 VAL A 79 6.053 7.741 -4.022 1.00 0.00 C ATOM 0 H VAL A 79 7.092 7.074 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 79 4.616 8.305 -1.630 1.00 0.00 H new ATOM 0 HB VAL A 79 5.136 5.923 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.555 7.079 -4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.826 6.711 -3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.358 8.368 -3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.983 7.501 -5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.923 8.814 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.032 7.442 -3.646 1.00 0.00 H new ATOM 1104 N LEU A 80 4.774 5.206 -0.600 1.00 0.00 N ATOM 1105 CA LEU A 80 4.090 4.205 0.202 1.00 0.00 C ATOM 1106 C LEU A 80 3.774 4.790 1.580 1.00 0.00 C ATOM 1107 O LEU A 80 2.827 4.362 2.238 1.00 0.00 O ATOM 1108 CB LEU A 80 4.906 2.912 0.255 1.00 0.00 C ATOM 1109 CG LEU A 80 4.557 1.856 -0.796 1.00 0.00 C ATOM 1110 CD1 LEU A 80 5.394 0.590 -0.599 1.00 0.00 C ATOM 1111 CD2 LEU A 80 3.057 1.556 -0.796 1.00 0.00 C ATOM 0 H LEU A 80 5.718 4.949 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 80 3.138 3.935 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.961 3.167 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.783 2.468 1.243 1.00 0.00 H new ATOM 0 HG LEU A 80 4.805 2.258 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.127 -0.145 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.452 0.836 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.200 0.176 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.837 0.802 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.760 1.184 0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.504 2.468 -1.020 1.00 0.00 H new ATOM 1123 N THR A 81 4.586 5.760 1.975 1.00 0.00 N ATOM 1124 CA THR A 81 4.405 6.408 3.263 1.00 0.00 C ATOM 1125 C THR A 81 3.934 7.851 3.073 1.00 0.00 C ATOM 1126 O THR A 81 3.832 8.607 4.038 1.00 0.00 O ATOM 1127 CB THR A 81 5.720 6.295 4.038 1.00 0.00 C ATOM 1128 OG1 THR A 81 5.414 6.833 5.321 1.00 0.00 O ATOM 1129 CG2 THR A 81 6.803 7.228 3.492 1.00 0.00 C ATOM 0 H THR A 81 5.370 6.113 1.426 1.00 0.00 H new ATOM 0 HA THR A 81 3.624 5.919 3.845 1.00 0.00 H new ATOM 0 HB THR A 81 6.075 5.265 4.002 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.687 7.485 5.237 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.715 7.109 4.077 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.005 6.980 2.450 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.461 8.261 3.560 1.00 0.00 H new ATOM 1137 N SER A 82 3.660 8.190 1.822 1.00 0.00 N ATOM 1138 CA SER A 82 3.202 9.529 1.492 1.00 0.00 C ATOM 1139 C SER A 82 1.900 9.455 0.691 1.00 0.00 C ATOM 1140 O SER A 82 1.926 9.306 -0.529 1.00 0.00 O ATOM 1141 CB SER A 82 4.266 10.297 0.705 1.00 0.00 C ATOM 1142 OG SER A 82 3.720 11.429 0.033 1.00 0.00 O ATOM 0 H SER A 82 3.746 7.560 1.024 1.00 0.00 H new ATOM 0 HA SER A 82 3.019 10.066 2.423 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.054 10.624 1.384 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.729 9.631 -0.024 1.00 0.00 H new ATOM 0 HG SER A 82 4.431 11.893 -0.456 1.00 0.00 H new ATOM 1148 N SER A 83 0.793 9.562 1.412 1.00 0.00 N ATOM 1149 CA SER A 83 -0.516 9.508 0.784 1.00 0.00 C ATOM 1150 C SER A 83 -1.581 9.153 1.823 1.00 0.00 C ATOM 1151 O SER A 83 -1.256 8.718 2.926 1.00 0.00 O ATOM 1152 CB SER A 83 -0.536 8.496 -0.364 1.00 0.00 C ATOM 1153 OG SER A 83 -0.273 9.111 -1.622 1.00 0.00 O ATOM 0 H SER A 83 0.776 9.686 2.424 1.00 0.00 H new ATOM 0 HA SER A 83 -0.736 10.491 0.369 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.207 7.721 -0.177 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.508 8.004 -0.397 1.00 0.00 H new ATOM 0 HG SER A 83 0.685 9.305 -1.697 1.00 0.00 H new ATOM 1159 N SER A 84 -2.832 9.352 1.434 1.00 0.00 N ATOM 1160 CA SER A 84 -3.947 9.058 2.318 1.00 0.00 C ATOM 1161 C SER A 84 -4.804 7.939 1.725 1.00 0.00 C ATOM 1162 O SER A 84 -5.746 7.470 2.362 1.00 0.00 O ATOM 1163 CB SER A 84 -4.798 10.306 2.564 1.00 0.00 C ATOM 1164 OG SER A 84 -4.551 10.876 3.846 1.00 0.00 O ATOM 0 H SER A 84 -3.098 9.713 0.518 1.00 0.00 H new ATOM 0 HA SER A 84 -3.546 8.730 3.277 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.588 11.046 1.792 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.854 10.048 2.479 1.00 0.00 H new ATOM 0 HG SER A 84 -5.112 11.671 3.964 1.00 0.00 H new ATOM 1170 N ARG A 85 -4.446 7.542 0.513 1.00 0.00 N ATOM 1171 CA ARG A 85 -5.171 6.486 -0.173 1.00 0.00 C ATOM 1172 C ARG A 85 -4.274 5.817 -1.217 1.00 0.00 C ATOM 1173 O ARG A 85 -4.267 6.215 -2.381 1.00 0.00 O ATOM 1174 CB ARG A 85 -6.422 7.034 -0.862 1.00 0.00 C ATOM 1175 CG ARG A 85 -6.060 8.137 -1.859 1.00 0.00 C ATOM 1176 CD ARG A 85 -6.380 7.707 -3.292 1.00 0.00 C ATOM 1177 NE ARG A 85 -5.582 8.505 -4.250 1.00 0.00 N ATOM 1178 CZ ARG A 85 -5.782 9.808 -4.492 1.00 0.00 C ATOM 1179 NH1 ARG A 85 -6.754 10.468 -3.847 1.00 0.00 N ATOM 1180 NH2 ARG A 85 -5.009 10.451 -5.378 1.00 0.00 N ATOM 0 H ARG A 85 -3.663 7.933 -0.012 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.474 5.753 0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.940 6.226 -1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.111 7.427 -0.114 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.610 9.046 -1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.000 8.374 -1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.162 6.647 -3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.443 7.841 -3.492 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.833 8.034 -4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.342 9.979 -3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.906 11.460 -4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.269 9.949 -5.868 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.161 11.443 -5.562 1.00 0.00 H new ATOM 1194 N LEU A 86 -3.539 4.813 -0.762 1.00 0.00 N ATOM 1195 CA LEU A 86 -2.640 4.085 -1.642 1.00 0.00 C ATOM 1196 C LEU A 86 -3.427 3.005 -2.388 1.00 0.00 C ATOM 1197 O LEU A 86 -4.118 2.197 -1.769 1.00 0.00 O ATOM 1198 CB LEU A 86 -1.444 3.544 -0.857 1.00 0.00 C ATOM 1199 CG LEU A 86 -0.480 4.591 -0.296 1.00 0.00 C ATOM 1200 CD1 LEU A 86 -1.192 5.518 0.692 1.00 0.00 C ATOM 1201 CD2 LEU A 86 0.750 3.927 0.326 1.00 0.00 C ATOM 0 H LEU A 86 -3.547 4.486 0.204 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.221 4.752 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.820 2.944 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.882 2.873 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.129 5.209 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.484 6.253 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.009 6.031 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.590 4.931 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.419 4.694 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.437 3.270 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.271 3.344 -0.433 1.00 0.00 H new ATOM 1213 N HIS A 87 -3.295 3.026 -3.706 1.00 0.00 N ATOM 1214 CA HIS A 87 -3.984 2.058 -4.542 1.00 0.00 C ATOM 1215 C HIS A 87 -2.968 1.093 -5.155 1.00 0.00 C ATOM 1216 O HIS A 87 -2.471 1.325 -6.256 1.00 0.00 O ATOM 1217 CB HIS A 87 -4.842 2.763 -5.595 1.00 0.00 C ATOM 1218 CG HIS A 87 -6.323 2.510 -5.450 1.00 0.00 C ATOM 1219 ND1 HIS A 87 -7.273 3.503 -5.615 1.00 0.00 N ATOM 1220 CD2 HIS A 87 -7.007 1.367 -5.156 1.00 0.00 C ATOM 1221 CE1 HIS A 87 -8.472 2.971 -5.426 1.00 0.00 C ATOM 1222 NE2 HIS A 87 -8.305 1.647 -5.140 1.00 0.00 N ATOM 0 H HIS A 87 -2.721 3.698 -4.215 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.670 1.469 -3.933 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.660 3.836 -5.538 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.524 2.438 -6.585 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.567 0.399 -4.968 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.415 3.493 -5.487 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -9.054 0.982 -4.946 1.00 0.00 H new ATOM 1230 N MET A 88 -2.688 0.030 -4.415 1.00 0.00 N ATOM 1231 CA MET A 88 -1.740 -0.972 -4.872 1.00 0.00 C ATOM 1232 C MET A 88 -2.446 -2.075 -5.664 1.00 0.00 C ATOM 1233 O MET A 88 -3.489 -2.574 -5.245 1.00 0.00 O ATOM 1234 CB MET A 88 -1.026 -1.586 -3.666 1.00 0.00 C ATOM 1235 CG MET A 88 -0.126 -0.557 -2.979 1.00 0.00 C ATOM 1236 SD MET A 88 0.169 -1.039 -1.286 1.00 0.00 S ATOM 1237 CE MET A 88 -1.364 -0.509 -0.541 1.00 0.00 C ATOM 0 H MET A 88 -3.101 -0.159 -3.502 1.00 0.00 H new ATOM 0 HA MET A 88 -1.016 -0.488 -5.527 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.762 -1.962 -2.956 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.429 -2.439 -3.988 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.821 -0.476 -3.513 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.595 0.427 -3.009 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.155 -0.002 0.401 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.879 0.176 -1.215 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.996 -1.377 -0.353 1.00 0.00 H new ATOM 1247 N MET A 89 -1.849 -2.422 -6.794 1.00 0.00 N ATOM 1248 CA MET A 89 -2.407 -3.456 -7.648 1.00 0.00 C ATOM 1249 C MET A 89 -1.401 -4.587 -7.869 1.00 0.00 C ATOM 1250 O MET A 89 -0.315 -4.362 -8.401 1.00 0.00 O ATOM 1251 CB MET A 89 -2.797 -2.849 -8.998 1.00 0.00 C ATOM 1252 CG MET A 89 -3.467 -1.486 -8.812 1.00 0.00 C ATOM 1253 SD MET A 89 -4.805 -1.618 -7.639 1.00 0.00 S ATOM 1254 CE MET A 89 -6.166 -1.921 -8.753 1.00 0.00 C ATOM 0 H MET A 89 -0.984 -2.005 -7.138 1.00 0.00 H new ATOM 0 HA MET A 89 -3.288 -3.869 -7.157 1.00 0.00 H new ATOM 0 HB2 MET A 89 -1.910 -2.740 -9.622 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.475 -3.523 -9.522 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.736 -0.757 -8.462 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.845 -1.124 -9.768 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.900 -1.121 -8.657 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.797 -1.954 -9.778 1.00 0.00 H new ATOM 0 HE3 MET A 89 -6.634 -2.874 -8.505 1.00 0.00 H new ATOM 1264 N VAL A 90 -1.798 -5.780 -7.449 1.00 0.00 N ATOM 1265 CA VAL A 90 -0.945 -6.947 -7.594 1.00 0.00 C ATOM 1266 C VAL A 90 -1.435 -7.788 -8.775 1.00 0.00 C ATOM 1267 O VAL A 90 -2.594 -7.689 -9.174 1.00 0.00 O ATOM 1268 CB VAL A 90 -0.901 -7.729 -6.280 1.00 0.00 C ATOM 1269 CG1 VAL A 90 -0.279 -6.890 -5.163 1.00 0.00 C ATOM 1270 CG2 VAL A 90 -2.296 -8.219 -5.887 1.00 0.00 C ATOM 0 H VAL A 90 -2.699 -5.963 -7.008 1.00 0.00 H new ATOM 0 HA VAL A 90 0.080 -6.647 -7.812 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.269 -8.604 -6.432 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.260 -7.470 -4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.739 -6.614 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.872 -5.988 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.237 -8.772 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.960 -7.364 -5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.686 -8.871 -6.669 1.00 0.00 H new ATOM 1280 N ARG A 91 -0.526 -8.596 -9.301 1.00 0.00 N ATOM 1281 CA ARG A 91 -0.851 -9.454 -10.428 1.00 0.00 C ATOM 1282 C ARG A 91 -0.844 -10.922 -9.998 1.00 0.00 C ATOM 1283 O ARG A 91 0.215 -11.491 -9.739 1.00 0.00 O ATOM 1284 CB ARG A 91 0.145 -9.260 -11.573 1.00 0.00 C ATOM 1285 CG ARG A 91 -0.232 -8.051 -12.431 1.00 0.00 C ATOM 1286 CD ARG A 91 0.694 -7.926 -13.642 1.00 0.00 C ATOM 1287 NE ARG A 91 -0.079 -7.499 -14.829 1.00 0.00 N ATOM 1288 CZ ARG A 91 -1.007 -8.253 -15.433 1.00 0.00 C ATOM 1289 NH1 ARG A 91 -1.283 -9.478 -14.965 1.00 0.00 N ATOM 1290 NH2 ARG A 91 -1.659 -7.783 -16.505 1.00 0.00 N ATOM 0 H ARG A 91 0.435 -8.675 -8.968 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.846 -9.179 -10.777 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.148 -9.124 -11.168 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.170 -10.156 -12.193 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.264 -8.147 -12.767 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.175 -7.143 -11.831 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.484 -7.204 -13.433 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.180 -8.882 -13.839 1.00 0.00 H new ATOM 0 HE ARG A 91 0.106 -6.572 -15.212 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.787 -9.836 -14.149 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.990 -10.052 -15.425 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.449 -6.851 -16.862 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.366 -8.357 -16.965 1.00 0.00 H new ATOM 1304 N ARG A 92 -2.038 -11.493 -9.934 1.00 0.00 N ATOM 1305 CA ARG A 92 -2.182 -12.884 -9.539 1.00 0.00 C ATOM 1306 C ARG A 92 -2.507 -13.750 -10.758 1.00 0.00 C ATOM 1307 O ARG A 92 -3.287 -13.349 -11.619 1.00 0.00 O ATOM 1308 CB ARG A 92 -3.289 -13.048 -8.496 1.00 0.00 C ATOM 1309 CG ARG A 92 -3.149 -14.378 -7.753 1.00 0.00 C ATOM 1310 CD ARG A 92 -4.340 -14.614 -6.822 1.00 0.00 C ATOM 1311 NE ARG A 92 -3.917 -15.414 -5.651 1.00 0.00 N ATOM 1312 CZ ARG A 92 -3.390 -14.891 -4.535 1.00 0.00 C ATOM 1313 NH1 ARG A 92 -3.219 -13.566 -4.432 1.00 0.00 N ATOM 1314 NH2 ARG A 92 -3.035 -15.693 -3.522 1.00 0.00 N ATOM 0 H ARG A 92 -2.914 -11.018 -10.149 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.236 -13.205 -9.102 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.248 -12.224 -7.784 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.263 -13.000 -8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.077 -15.194 -8.472 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.225 -14.380 -7.175 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.749 -13.659 -6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.135 -15.132 -7.359 1.00 0.00 H new ATOM 0 HE ARG A 92 -4.034 -16.426 -5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.490 -12.955 -5.203 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.818 -13.168 -3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.166 -16.702 -3.600 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.634 -15.295 -2.673 1.00 0.00 H new