USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=21 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= -1.18 K(o=-1.6,f=-0.58) USER MOD Set 1.2: A 83 SER OG : rot -150:sc= -0.436 USER MOD Set 2.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 89 MET CE :methyl -137:sc= -3.94! (180deg=-6.34!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.152 USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -0.0687 (180deg=-0.394) USER MOD Single : A 47 SER OG : rot -123:sc= 1.15 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0.0036 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -78:sc= 1 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 63:sc= 0.155 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -178:sc= -4.65! (180deg=-4.67!) 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 -26:sc= 0.809 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 HE2:sc= -3.07 K(o=-3.1,f=-4.2!) USER MOD Single : A 88 MET CE :methyl 148:sc= -1.93 (180deg=-4.14!) USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 -5.707 -11.485 -13.451 1.00 0.00 N ATOM 90 CA ILE A 10 -6.536 -10.339 -13.115 1.00 0.00 C ATOM 91 C ILE A 10 -5.786 -9.447 -12.124 1.00 0.00 C ATOM 92 O ILE A 10 -4.859 -9.899 -11.454 1.00 0.00 O ATOM 93 CB ILE A 10 -7.907 -10.798 -12.614 1.00 0.00 C ATOM 94 CG1 ILE A 10 -8.670 -11.543 -13.711 1.00 0.00 C ATOM 95 CG2 ILE A 10 -8.709 -9.621 -12.055 1.00 0.00 C ATOM 96 CD1 ILE A 10 -8.441 -13.053 -13.610 1.00 0.00 C ATOM 0 HA ILE A 10 -6.732 -9.737 -14.002 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.754 -11.500 -11.795 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.735 -11.327 -13.629 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.347 -11.187 -14.689 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.679 -9.975 -11.706 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.165 -9.173 -11.223 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.855 -8.876 -12.837 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.995 -13.559 -14.401 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.378 -13.268 -13.717 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.787 -13.409 -12.640 1.00 0.00 H new ATOM 108 N ILE A 11 -6.217 -8.195 -12.062 1.00 0.00 N ATOM 109 CA ILE A 11 -5.598 -7.235 -11.164 1.00 0.00 C ATOM 110 C ILE A 11 -6.430 -7.129 -9.884 1.00 0.00 C ATOM 111 O ILE A 11 -7.659 -7.161 -9.935 1.00 0.00 O ATOM 112 CB ILE A 11 -5.388 -5.896 -11.873 1.00 0.00 C ATOM 113 CG1 ILE A 11 -4.225 -5.977 -12.864 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.202 -4.763 -10.862 1.00 0.00 C ATOM 115 CD1 ILE A 11 -2.891 -5.702 -12.167 1.00 0.00 C ATOM 0 H ILE A 11 -6.987 -7.824 -12.619 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.604 -7.574 -10.871 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.286 -5.670 -12.448 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.202 -6.965 -13.324 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.376 -5.255 -13.667 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.055 -3.822 -11.393 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.088 -4.689 -10.231 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.331 -4.969 -10.241 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.081 -5.766 -12.894 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.908 -4.704 -11.729 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.732 -6.440 -11.381 1.00 0.00 H new ATOM 127 N HIS A 12 -5.728 -7.005 -8.768 1.00 0.00 N ATOM 128 CA HIS A 12 -6.387 -6.895 -7.478 1.00 0.00 C ATOM 129 C HIS A 12 -6.429 -5.427 -7.047 1.00 0.00 C ATOM 130 O HIS A 12 -5.468 -4.688 -7.254 1.00 0.00 O ATOM 131 CB HIS A 12 -5.712 -7.797 -6.443 1.00 0.00 C ATOM 132 CG HIS A 12 -6.044 -9.262 -6.596 1.00 0.00 C ATOM 133 ND1 HIS A 12 -6.530 -10.033 -5.555 1.00 0.00 N ATOM 134 CD2 HIS A 12 -5.956 -10.088 -7.678 1.00 0.00 C ATOM 135 CE1 HIS A 12 -6.721 -11.266 -6.001 1.00 0.00 C ATOM 136 NE2 HIS A 12 -6.364 -11.298 -7.317 1.00 0.00 N ATOM 0 H HIS A 12 -4.709 -6.978 -8.730 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.416 -7.244 -7.561 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.632 -7.670 -6.515 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.005 -7.471 -5.445 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.612 -9.805 -8.662 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.094 -12.099 -5.424 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.404 -12.117 -7.924 1.00 0.00 H new ATOM 144 N SER A 13 -7.553 -5.049 -6.455 1.00 0.00 N ATOM 145 CA SER A 13 -7.733 -3.683 -5.993 1.00 0.00 C ATOM 146 C SER A 13 -7.694 -3.639 -4.464 1.00 0.00 C ATOM 147 O SER A 13 -8.420 -4.376 -3.800 1.00 0.00 O ATOM 148 CB SER A 13 -9.049 -3.097 -6.508 1.00 0.00 C ATOM 149 OG SER A 13 -9.557 -3.824 -7.623 1.00 0.00 O ATOM 0 H SER A 13 -8.348 -5.665 -6.285 1.00 0.00 H new ATOM 0 HA SER A 13 -6.918 -3.077 -6.388 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.787 -3.102 -5.706 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.895 -2.056 -6.793 1.00 0.00 H new ATOM 0 HG SER A 13 -10.399 -3.420 -7.921 1.00 0.00 H new ATOM 155 N VAL A 14 -6.839 -2.766 -3.951 1.00 0.00 N ATOM 156 CA VAL A 14 -6.696 -2.616 -2.513 1.00 0.00 C ATOM 157 C VAL A 14 -6.399 -1.151 -2.185 1.00 0.00 C ATOM 158 O VAL A 14 -5.747 -0.456 -2.963 1.00 0.00 O ATOM 159 CB VAL A 14 -5.624 -3.574 -1.991 1.00 0.00 C ATOM 160 CG1 VAL A 14 -4.307 -3.390 -2.748 1.00 0.00 C ATOM 161 CG2 VAL A 14 -5.420 -3.399 -0.485 1.00 0.00 C ATOM 0 H VAL A 14 -6.239 -2.156 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.624 -2.881 -2.007 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.971 -4.592 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.562 -4.083 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.466 -3.588 -3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.953 -2.367 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.653 -4.092 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.106 -2.376 -0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.356 -3.604 0.035 1.00 0.00 H new ATOM 171 N ARG A 15 -6.893 -0.724 -1.032 1.00 0.00 N ATOM 172 CA ARG A 15 -6.688 0.645 -0.591 1.00 0.00 C ATOM 173 C ARG A 15 -6.167 0.668 0.847 1.00 0.00 C ATOM 174 O ARG A 15 -6.929 0.464 1.791 1.00 0.00 O ATOM 175 CB ARG A 15 -7.989 1.448 -0.668 1.00 0.00 C ATOM 176 CG ARG A 15 -8.231 1.965 -2.088 1.00 0.00 C ATOM 177 CD ARG A 15 -9.157 3.183 -2.077 1.00 0.00 C ATOM 178 NE ARG A 15 -10.408 2.874 -2.806 1.00 0.00 N ATOM 179 CZ ARG A 15 -11.403 3.751 -2.996 1.00 0.00 C ATOM 180 NH1 ARG A 15 -11.299 4.997 -2.512 1.00 0.00 N ATOM 181 NH2 ARG A 15 -12.501 3.383 -3.670 1.00 0.00 N ATOM 0 H ARG A 15 -7.435 -1.302 -0.390 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.952 1.100 -1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.826 0.822 -0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.944 2.287 0.026 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.280 2.231 -2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.671 1.175 -2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.386 3.467 -1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.657 4.034 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.519 1.935 -3.188 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.463 5.277 -1.999 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.056 5.665 -2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.579 2.435 -4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.258 4.051 -3.815 1.00 0.00 H new ATOM 195 N VAL A 16 -4.872 0.918 0.969 1.00 0.00 N ATOM 196 CA VAL A 16 -4.240 0.970 2.276 1.00 0.00 C ATOM 197 C VAL A 16 -4.206 2.420 2.764 1.00 0.00 C ATOM 198 O VAL A 16 -3.599 3.279 2.128 1.00 0.00 O ATOM 199 CB VAL A 16 -2.852 0.329 2.213 1.00 0.00 C ATOM 200 CG1 VAL A 16 -2.127 0.457 3.554 1.00 0.00 C ATOM 201 CG2 VAL A 16 -2.944 -1.135 1.777 1.00 0.00 C ATOM 0 H VAL A 16 -4.243 1.087 0.184 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.816 0.395 3.001 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.269 0.866 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.143 -0.007 3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.014 1.511 3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.707 -0.042 4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.944 -1.567 1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.553 -1.690 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.401 -1.192 0.789 1.00 0.00 H new ATOM 211 N GLU A 17 -4.868 2.647 3.890 1.00 0.00 N ATOM 212 CA GLU A 17 -4.921 3.978 4.471 1.00 0.00 C ATOM 213 C GLU A 17 -3.623 4.282 5.221 1.00 0.00 C ATOM 214 O GLU A 17 -2.846 3.376 5.517 1.00 0.00 O ATOM 215 CB GLU A 17 -6.135 4.126 5.391 1.00 0.00 C ATOM 216 CG GLU A 17 -7.179 5.059 4.776 1.00 0.00 C ATOM 217 CD GLU A 17 -8.221 4.269 3.981 1.00 0.00 C ATOM 218 OE1 GLU A 17 -9.011 3.555 4.635 1.00 0.00 O ATOM 219 OE2 GLU A 17 -8.203 4.398 2.738 1.00 0.00 O ATOM 0 H GLU A 17 -5.372 1.932 4.415 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.028 4.702 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.579 3.147 5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.818 4.517 6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.672 5.628 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.688 5.780 4.122 1.00 0.00 H new ATOM 314 N LEU A 24 4.586 0.877 6.932 1.00 0.00 N ATOM 315 CA LEU A 24 3.268 0.533 6.429 1.00 0.00 C ATOM 316 C LEU A 24 2.741 -0.688 7.185 1.00 0.00 C ATOM 317 O LEU A 24 3.515 -1.438 7.777 1.00 0.00 O ATOM 318 CB LEU A 24 3.305 0.347 4.910 1.00 0.00 C ATOM 319 CG LEU A 24 2.697 1.479 4.080 1.00 0.00 C ATOM 320 CD1 LEU A 24 1.338 1.901 4.642 1.00 0.00 C ATOM 321 CD2 LEU A 24 3.664 2.660 3.972 1.00 0.00 C ATOM 0 HA LEU A 24 2.567 1.348 6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.343 0.217 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.783 -0.578 4.664 1.00 0.00 H new ATOM 0 HG LEU A 24 2.527 1.109 3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.927 2.707 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.657 1.050 4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.460 2.247 5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.207 3.451 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.888 3.039 4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.587 2.332 3.493 1.00 0.00 H new ATOM 333 N GLY A 25 1.426 -0.850 7.140 1.00 0.00 N ATOM 334 CA GLY A 25 0.787 -1.967 7.814 1.00 0.00 C ATOM 335 C GLY A 25 1.331 -3.302 7.300 1.00 0.00 C ATOM 336 O GLY A 25 1.130 -4.341 7.927 1.00 0.00 O ATOM 0 H GLY A 25 0.787 -0.226 6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.954 -1.892 8.888 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.291 -1.924 7.655 1.00 0.00 H new ATOM 340 N PHE A 26 2.009 -3.230 6.164 1.00 0.00 N ATOM 341 CA PHE A 26 2.583 -4.419 5.559 1.00 0.00 C ATOM 342 C PHE A 26 4.086 -4.245 5.326 1.00 0.00 C ATOM 343 O PHE A 26 4.581 -3.121 5.263 1.00 0.00 O ATOM 344 CB PHE A 26 1.890 -4.614 4.209 1.00 0.00 C ATOM 345 CG PHE A 26 2.041 -3.428 3.255 1.00 0.00 C ATOM 346 CD1 PHE A 26 1.370 -2.270 3.496 1.00 0.00 C ATOM 347 CD2 PHE A 26 2.848 -3.531 2.164 1.00 0.00 C ATOM 348 CE1 PHE A 26 1.510 -1.169 2.610 1.00 0.00 C ATOM 349 CE2 PHE A 26 2.989 -2.430 1.278 1.00 0.00 C ATOM 350 CZ PHE A 26 2.317 -1.273 1.520 1.00 0.00 C ATOM 0 H PHE A 26 2.174 -2.366 5.647 1.00 0.00 H new ATOM 0 HA PHE A 26 2.441 -5.276 6.217 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.294 -5.506 3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.829 -4.797 4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.730 -2.188 4.362 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.381 -4.450 1.972 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.976 -0.250 2.802 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.630 -2.512 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.424 -0.436 0.846 1.00 0.00 H new ATOM 360 N SER A 27 4.768 -5.374 5.206 1.00 0.00 N ATOM 361 CA SER A 27 6.204 -5.361 4.982 1.00 0.00 C ATOM 362 C SER A 27 6.517 -5.855 3.568 1.00 0.00 C ATOM 363 O SER A 27 6.050 -6.917 3.160 1.00 0.00 O ATOM 364 CB SER A 27 6.931 -6.220 6.018 1.00 0.00 C ATOM 365 OG SER A 27 7.817 -5.448 6.824 1.00 0.00 O ATOM 0 H SER A 27 4.353 -6.304 5.260 1.00 0.00 H new ATOM 0 HA SER A 27 6.558 -4.336 5.088 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.199 -6.716 6.656 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.493 -7.003 5.509 1.00 0.00 H new ATOM 0 HG SER A 27 8.261 -6.032 7.474 1.00 0.00 H new ATOM 371 N VAL A 28 7.307 -5.061 2.860 1.00 0.00 N ATOM 372 CA VAL A 28 7.688 -5.404 1.500 1.00 0.00 C ATOM 373 C VAL A 28 9.160 -5.821 1.478 1.00 0.00 C ATOM 374 O VAL A 28 9.929 -5.444 2.361 1.00 0.00 O ATOM 375 CB VAL A 28 7.384 -4.236 0.560 1.00 0.00 C ATOM 376 CG1 VAL A 28 5.879 -4.110 0.312 1.00 0.00 C ATOM 377 CG2 VAL A 28 7.961 -2.928 1.106 1.00 0.00 C ATOM 0 H VAL A 28 7.694 -4.181 3.202 1.00 0.00 H new ATOM 0 HA VAL A 28 7.104 -6.252 1.142 1.00 0.00 H new ATOM 0 HB VAL A 28 7.866 -4.441 -0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.690 -3.272 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.507 -5.029 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.367 -3.939 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.731 -2.114 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.522 -2.715 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.042 -3.022 1.208 1.00 0.00 H new ATOM 387 N ARG A 29 9.508 -6.593 0.459 1.00 0.00 N ATOM 388 CA ARG A 29 10.874 -7.065 0.311 1.00 0.00 C ATOM 389 C ARG A 29 11.408 -6.716 -1.080 1.00 0.00 C ATOM 390 O ARG A 29 10.639 -6.368 -1.975 1.00 0.00 O ATOM 391 CB ARG A 29 10.959 -8.579 0.517 1.00 0.00 C ATOM 392 CG ARG A 29 10.185 -9.325 -0.572 1.00 0.00 C ATOM 393 CD ARG A 29 10.696 -10.759 -0.723 1.00 0.00 C ATOM 394 NE ARG A 29 10.599 -11.184 -2.138 1.00 0.00 N ATOM 395 CZ ARG A 29 9.492 -11.694 -2.695 1.00 0.00 C ATOM 396 NH1 ARG A 29 8.381 -11.845 -1.961 1.00 0.00 N ATOM 397 NH2 ARG A 29 9.496 -12.052 -3.986 1.00 0.00 N ATOM 0 H ARG A 29 8.868 -6.903 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 29 11.480 -6.572 1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.003 -8.893 0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.558 -8.839 1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.123 -9.338 -0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.285 -8.798 -1.521 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.730 -10.823 -0.386 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.113 -11.430 -0.092 1.00 0.00 H new ATOM 0 HE ARG A 29 11.427 -11.082 -2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.378 -11.572 -0.978 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.538 -12.233 -2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.342 -11.936 -4.545 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.654 -12.440 -4.410 1.00 0.00 H new ATOM 411 N GLY A 30 12.722 -6.822 -1.218 1.00 0.00 N ATOM 412 CA GLY A 30 13.367 -6.521 -2.485 1.00 0.00 C ATOM 413 C GLY A 30 13.573 -5.014 -2.652 1.00 0.00 C ATOM 414 O GLY A 30 13.753 -4.296 -1.670 1.00 0.00 O ATOM 0 H GLY A 30 13.357 -7.112 -0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.329 -7.031 -2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.759 -6.902 -3.306 1.00 0.00 H new ATOM 494 N GLY A 37 9.979 -5.849 -9.060 1.00 0.00 N ATOM 495 CA GLY A 37 9.068 -4.883 -8.469 1.00 0.00 C ATOM 496 C GLY A 37 9.003 -5.050 -6.950 1.00 0.00 C ATOM 497 O GLY A 37 9.811 -5.769 -6.365 1.00 0.00 O ATOM 0 HA2 GLY A 37 9.395 -3.872 -8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.073 -5.008 -8.895 1.00 0.00 H new ATOM 501 N ILE A 38 8.033 -4.372 -6.353 1.00 0.00 N ATOM 502 CA ILE A 38 7.852 -4.436 -4.913 1.00 0.00 C ATOM 503 C ILE A 38 6.906 -5.590 -4.573 1.00 0.00 C ATOM 504 O ILE A 38 5.817 -5.691 -5.136 1.00 0.00 O ATOM 505 CB ILE A 38 7.389 -3.082 -4.371 1.00 0.00 C ATOM 506 CG1 ILE A 38 8.384 -1.977 -4.733 1.00 0.00 C ATOM 507 CG2 ILE A 38 7.135 -3.152 -2.864 1.00 0.00 C ATOM 508 CD1 ILE A 38 9.754 -2.247 -4.108 1.00 0.00 C ATOM 0 H ILE A 38 7.364 -3.776 -6.841 1.00 0.00 H new ATOM 0 HA ILE A 38 8.801 -4.644 -4.419 1.00 0.00 H new ATOM 0 HB ILE A 38 6.441 -2.831 -4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.481 -1.911 -5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.006 -1.015 -4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.807 -2.177 -2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.362 -3.893 -2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.055 -3.437 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.442 -1.447 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.657 -2.288 -3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.140 -3.198 -4.474 1.00 0.00 H new ATOM 520 N PHE A 39 7.357 -6.430 -3.654 1.00 0.00 N ATOM 521 CA PHE A 39 6.565 -7.573 -3.232 1.00 0.00 C ATOM 522 C PHE A 39 6.261 -7.507 -1.734 1.00 0.00 C ATOM 523 O PHE A 39 6.935 -6.795 -0.991 1.00 0.00 O ATOM 524 CB PHE A 39 7.397 -8.824 -3.518 1.00 0.00 C ATOM 525 CG PHE A 39 7.612 -9.103 -5.007 1.00 0.00 C ATOM 526 CD1 PHE A 39 8.434 -8.301 -5.736 1.00 0.00 C ATOM 527 CD2 PHE A 39 6.982 -10.151 -5.600 1.00 0.00 C ATOM 528 CE1 PHE A 39 8.634 -8.560 -7.118 1.00 0.00 C ATOM 529 CE2 PHE A 39 7.181 -10.409 -6.982 1.00 0.00 C ATOM 530 CZ PHE A 39 8.003 -9.608 -7.712 1.00 0.00 C ATOM 0 H PHE A 39 8.261 -6.342 -3.189 1.00 0.00 H new ATOM 0 HA PHE A 39 5.615 -7.585 -3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.368 -8.720 -3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.906 -9.685 -3.065 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.934 -7.468 -5.264 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.330 -10.788 -5.020 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.287 -7.924 -7.697 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.680 -11.241 -7.454 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.155 -9.804 -8.763 1.00 0.00 H new ATOM 540 N VAL A 40 5.247 -8.260 -1.334 1.00 0.00 N ATOM 541 CA VAL A 40 4.846 -8.296 0.062 1.00 0.00 C ATOM 542 C VAL A 40 5.550 -9.462 0.760 1.00 0.00 C ATOM 543 O VAL A 40 5.815 -10.491 0.142 1.00 0.00 O ATOM 544 CB VAL A 40 3.322 -8.370 0.167 1.00 0.00 C ATOM 545 CG1 VAL A 40 2.855 -8.064 1.592 1.00 0.00 C ATOM 546 CG2 VAL A 40 2.657 -7.431 -0.841 1.00 0.00 C ATOM 0 H VAL A 40 4.691 -8.850 -1.953 1.00 0.00 H new ATOM 0 HA VAL A 40 5.150 -7.381 0.570 1.00 0.00 H new ATOM 0 HB VAL A 40 3.019 -9.389 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.768 -8.123 1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.288 -8.790 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.176 -7.061 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.574 -7.503 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.971 -6.406 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.952 -7.714 -1.851 1.00 0.00 H new ATOM 556 N SER A 41 5.833 -9.260 2.039 1.00 0.00 N ATOM 557 CA SER A 41 6.501 -10.281 2.827 1.00 0.00 C ATOM 558 C SER A 41 5.678 -10.599 4.077 1.00 0.00 C ATOM 559 O SER A 41 5.437 -11.765 4.386 1.00 0.00 O ATOM 560 CB SER A 41 7.912 -9.838 3.220 1.00 0.00 C ATOM 561 OG SER A 41 7.983 -9.426 4.582 1.00 0.00 O ATOM 0 H SER A 41 5.612 -8.404 2.548 1.00 0.00 H new ATOM 0 HA SER A 41 6.588 -11.181 2.218 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.609 -10.659 3.053 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.226 -9.017 2.576 1.00 0.00 H new ATOM 0 HG SER A 41 8.900 -9.153 4.794 1.00 0.00 H new ATOM 567 N LYS A 42 5.268 -9.542 4.762 1.00 0.00 N ATOM 568 CA LYS A 42 4.477 -9.694 5.971 1.00 0.00 C ATOM 569 C LYS A 42 3.390 -8.617 6.003 1.00 0.00 C ATOM 570 O LYS A 42 3.553 -7.548 5.418 1.00 0.00 O ATOM 571 CB LYS A 42 5.380 -9.692 7.206 1.00 0.00 C ATOM 572 CG LYS A 42 4.591 -10.065 8.463 1.00 0.00 C ATOM 573 CD LYS A 42 4.392 -11.579 8.557 1.00 0.00 C ATOM 574 CE LYS A 42 3.595 -11.951 9.809 1.00 0.00 C ATOM 575 NZ LYS A 42 4.270 -11.441 11.023 1.00 0.00 N ATOM 0 H LYS A 42 5.469 -8.576 4.503 1.00 0.00 H new ATOM 0 HA LYS A 42 3.971 -10.659 5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.199 -10.397 7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.827 -8.706 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.119 -9.709 9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.621 -9.567 8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.870 -11.936 7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.362 -12.076 8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.589 -11.536 9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.490 -13.034 9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.895 -11.930 11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.293 -11.614 10.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.097 -10.419 11.113 1.00 0.00 H new ATOM 589 N VAL A 43 2.305 -8.938 6.691 1.00 0.00 N ATOM 590 CA VAL A 43 1.191 -8.012 6.807 1.00 0.00 C ATOM 591 C VAL A 43 0.717 -7.969 8.261 1.00 0.00 C ATOM 592 O VAL A 43 0.073 -8.904 8.736 1.00 0.00 O ATOM 593 CB VAL A 43 0.082 -8.402 5.828 1.00 0.00 C ATOM 594 CG1 VAL A 43 -1.213 -7.649 6.138 1.00 0.00 C ATOM 595 CG2 VAL A 43 0.520 -8.168 4.381 1.00 0.00 C ATOM 0 H VAL A 43 2.173 -9.827 7.174 1.00 0.00 H new ATOM 0 HA VAL A 43 1.504 -7.003 6.538 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.113 -9.467 5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.985 -7.945 5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.540 -7.889 7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.038 -6.576 6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.287 -8.453 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.757 -7.114 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.403 -8.770 4.166 1.00 0.00 H new ATOM 605 N GLU A 44 1.055 -6.875 8.928 1.00 0.00 N ATOM 606 CA GLU A 44 0.672 -6.698 10.319 1.00 0.00 C ATOM 607 C GLU A 44 -0.830 -6.932 10.490 1.00 0.00 C ATOM 608 O GLU A 44 -1.641 -6.307 9.807 1.00 0.00 O ATOM 609 CB GLU A 44 1.073 -5.312 10.826 1.00 0.00 C ATOM 610 CG GLU A 44 1.868 -5.412 12.129 1.00 0.00 C ATOM 611 CD GLU A 44 0.933 -5.525 13.334 1.00 0.00 C ATOM 612 OE1 GLU A 44 -0.062 -6.271 13.213 1.00 0.00 O ATOM 613 OE2 GLU A 44 1.235 -4.862 14.350 1.00 0.00 O ATOM 0 H GLU A 44 1.590 -6.102 8.531 1.00 0.00 H new ATOM 0 HA GLU A 44 1.205 -7.436 10.919 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.671 -4.803 10.070 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.180 -4.707 10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.526 -6.280 12.092 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.505 -4.534 12.239 1.00 0.00 H new ATOM 620 N GLU A 45 -1.156 -7.834 11.404 1.00 0.00 N ATOM 621 CA GLU A 45 -2.547 -8.158 11.673 1.00 0.00 C ATOM 622 C GLU A 45 -3.295 -6.917 12.164 1.00 0.00 C ATOM 623 O GLU A 45 -2.681 -5.966 12.643 1.00 0.00 O ATOM 624 CB GLU A 45 -2.658 -9.301 12.685 1.00 0.00 C ATOM 625 CG GLU A 45 -2.568 -8.774 14.118 1.00 0.00 C ATOM 626 CD GLU A 45 -2.226 -9.901 15.096 1.00 0.00 C ATOM 627 OE1 GLU A 45 -1.364 -10.729 14.728 1.00 0.00 O ATOM 628 OE2 GLU A 45 -2.834 -9.909 16.187 1.00 0.00 O ATOM 0 H GLU A 45 -0.481 -8.351 11.968 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.008 -8.493 10.744 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.603 -9.825 12.545 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.863 -10.026 12.509 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.808 -7.995 14.176 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.516 -8.317 14.401 1.00 0.00 H new ATOM 635 N GLY A 46 -4.612 -6.967 12.027 1.00 0.00 N ATOM 636 CA GLY A 46 -5.451 -5.859 12.450 1.00 0.00 C ATOM 637 C GLY A 46 -4.854 -4.520 12.012 1.00 0.00 C ATOM 638 O GLY A 46 -4.943 -3.530 12.735 1.00 0.00 O ATOM 0 H GLY A 46 -5.119 -7.758 11.629 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.449 -5.972 12.027 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.561 -5.875 13.534 1.00 0.00 H new ATOM 642 N SER A 47 -4.258 -4.534 10.828 1.00 0.00 N ATOM 643 CA SER A 47 -3.646 -3.333 10.285 1.00 0.00 C ATOM 644 C SER A 47 -4.479 -2.805 9.115 1.00 0.00 C ATOM 645 O SER A 47 -5.522 -3.369 8.786 1.00 0.00 O ATOM 646 CB SER A 47 -2.209 -3.603 9.835 1.00 0.00 C ATOM 647 OG SER A 47 -2.159 -4.229 8.556 1.00 0.00 O ATOM 0 H SER A 47 -4.186 -5.357 10.230 1.00 0.00 H new ATOM 0 HA SER A 47 -3.616 -2.578 11.071 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.657 -2.664 9.801 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.712 -4.238 10.569 1.00 0.00 H new ATOM 0 HG SER A 47 -1.668 -5.074 8.624 1.00 0.00 H new ATOM 653 N SER A 48 -3.986 -1.730 8.517 1.00 0.00 N ATOM 654 CA SER A 48 -4.672 -1.120 7.391 1.00 0.00 C ATOM 655 C SER A 48 -4.555 -2.019 6.158 1.00 0.00 C ATOM 656 O SER A 48 -5.490 -2.113 5.364 1.00 0.00 O ATOM 657 CB SER A 48 -4.107 0.270 7.089 1.00 0.00 C ATOM 658 OG SER A 48 -4.646 1.265 7.955 1.00 0.00 O ATOM 0 H SER A 48 -3.120 -1.266 8.791 1.00 0.00 H new ATOM 0 HA SER A 48 -5.724 -1.006 7.652 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.022 0.250 7.191 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.326 0.533 6.054 1.00 0.00 H new ATOM 0 HG SER A 48 -4.259 2.137 7.732 1.00 0.00 H new ATOM 664 N ALA A 49 -3.400 -2.657 6.038 1.00 0.00 N ATOM 665 CA ALA A 49 -3.150 -3.545 4.915 1.00 0.00 C ATOM 666 C ALA A 49 -4.150 -4.703 4.953 1.00 0.00 C ATOM 667 O ALA A 49 -5.066 -4.763 4.135 1.00 0.00 O ATOM 668 CB ALA A 49 -1.699 -4.027 4.960 1.00 0.00 C ATOM 0 H ALA A 49 -2.627 -2.577 6.699 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.291 -3.019 3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.511 -4.693 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.029 -3.169 4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.522 -4.562 5.893 1.00 0.00 H new ATOM 674 N GLU A 50 -3.941 -5.593 5.913 1.00 0.00 N ATOM 675 CA GLU A 50 -4.812 -6.745 6.068 1.00 0.00 C ATOM 676 C GLU A 50 -6.277 -6.325 5.925 1.00 0.00 C ATOM 677 O GLU A 50 -7.101 -7.093 5.431 1.00 0.00 O ATOM 678 CB GLU A 50 -4.569 -7.439 7.409 1.00 0.00 C ATOM 679 CG GLU A 50 -4.473 -8.956 7.232 1.00 0.00 C ATOM 680 CD GLU A 50 -5.413 -9.681 8.198 1.00 0.00 C ATOM 681 OE1 GLU A 50 -4.967 -9.939 9.337 1.00 0.00 O ATOM 682 OE2 GLU A 50 -6.555 -9.961 7.775 1.00 0.00 O ATOM 0 H GLU A 50 -3.181 -5.539 6.591 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.581 -7.461 5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.649 -7.062 7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.379 -7.200 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.724 -9.223 6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.447 -9.282 7.404 1.00 0.00 H new ATOM 689 N ARG A 51 -6.556 -5.108 6.367 1.00 0.00 N ATOM 690 CA ARG A 51 -7.907 -4.577 6.295 1.00 0.00 C ATOM 691 C ARG A 51 -8.222 -4.120 4.869 1.00 0.00 C ATOM 692 O ARG A 51 -9.332 -4.323 4.379 1.00 0.00 O ATOM 693 CB ARG A 51 -8.087 -3.397 7.252 1.00 0.00 C ATOM 694 CG ARG A 51 -8.550 -3.875 8.630 1.00 0.00 C ATOM 695 CD ARG A 51 -9.331 -2.779 9.357 1.00 0.00 C ATOM 696 NE ARG A 51 -10.610 -3.321 9.867 1.00 0.00 N ATOM 697 CZ ARG A 51 -11.584 -2.572 10.401 1.00 0.00 C ATOM 698 NH1 ARG A 51 -11.432 -1.244 10.496 1.00 0.00 N ATOM 699 NH2 ARG A 51 -12.711 -3.151 10.838 1.00 0.00 N ATOM 0 H ARG A 51 -5.870 -4.474 6.776 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.592 -5.374 6.585 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.146 -2.855 7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.816 -2.699 6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.176 -4.761 8.520 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.686 -4.167 9.227 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.738 -2.386 10.183 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.524 -1.948 8.679 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.759 -4.328 9.808 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.575 -0.804 10.162 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.173 -0.674 10.903 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.827 -4.162 10.764 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.453 -2.581 11.245 1.00 0.00 H new ATOM 713 N ALA A 52 -7.226 -3.512 4.243 1.00 0.00 N ATOM 714 CA ALA A 52 -7.383 -3.025 2.883 1.00 0.00 C ATOM 715 C ALA A 52 -7.619 -4.210 1.945 1.00 0.00 C ATOM 716 O ALA A 52 -8.192 -4.050 0.868 1.00 0.00 O ATOM 717 CB ALA A 52 -6.152 -2.206 2.488 1.00 0.00 C ATOM 0 H ALA A 52 -6.307 -3.345 4.652 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.250 -2.368 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.270 -1.841 1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.045 -1.360 3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.263 -2.834 2.548 1.00 0.00 H new ATOM 723 N GLY A 53 -7.166 -5.374 2.388 1.00 0.00 N ATOM 724 CA GLY A 53 -7.321 -6.586 1.602 1.00 0.00 C ATOM 725 C GLY A 53 -5.959 -7.173 1.225 1.00 0.00 C ATOM 726 O GLY A 53 -5.886 -8.225 0.593 1.00 0.00 O ATOM 0 H GLY A 53 -6.691 -5.503 3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.893 -7.320 2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.890 -6.367 0.698 1.00 0.00 H new ATOM 730 N LEU A 54 -4.913 -6.466 1.629 1.00 0.00 N ATOM 731 CA LEU A 54 -3.558 -6.904 1.341 1.00 0.00 C ATOM 732 C LEU A 54 -3.236 -8.139 2.185 1.00 0.00 C ATOM 733 O LEU A 54 -3.418 -8.128 3.401 1.00 0.00 O ATOM 734 CB LEU A 54 -2.570 -5.751 1.535 1.00 0.00 C ATOM 735 CG LEU A 54 -1.136 -6.013 1.072 1.00 0.00 C ATOM 736 CD1 LEU A 54 -1.071 -6.174 -0.448 1.00 0.00 C ATOM 737 CD2 LEU A 54 -0.190 -4.919 1.573 1.00 0.00 C ATOM 0 H LEU A 54 -4.977 -5.593 2.153 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.466 -7.199 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.950 -4.880 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.548 -5.492 2.594 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.802 -6.954 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.040 -6.359 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.695 -7.014 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.431 -5.263 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.823 -5.129 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.512 -3.953 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.206 -4.895 2.663 1.00 0.00 H new ATOM 749 N CYS A 55 -2.762 -9.173 1.506 1.00 0.00 N ATOM 750 CA CYS A 55 -2.413 -10.413 2.178 1.00 0.00 C ATOM 751 C CYS A 55 -0.925 -10.684 1.943 1.00 0.00 C ATOM 752 O CYS A 55 -0.246 -9.903 1.278 1.00 0.00 O ATOM 753 CB CYS A 55 -3.286 -11.577 1.706 1.00 0.00 C ATOM 754 SG CYS A 55 -3.201 -11.726 -0.116 1.00 0.00 S ATOM 0 H CYS A 55 -2.611 -9.178 0.497 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.599 -10.315 3.247 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.952 -12.505 2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.318 -11.418 2.018 1.00 0.00 H new ATOM 0 HG CYS A 55 -3.944 -12.719 -0.505 1.00 0.00 H new ATOM 760 N VAL A 56 -0.463 -11.792 2.503 1.00 0.00 N ATOM 761 CA VAL A 56 0.932 -12.176 2.364 1.00 0.00 C ATOM 762 C VAL A 56 1.089 -13.071 1.133 1.00 0.00 C ATOM 763 O VAL A 56 0.256 -13.942 0.885 1.00 0.00 O ATOM 764 CB VAL A 56 1.424 -12.837 3.652 1.00 0.00 C ATOM 765 CG1 VAL A 56 2.652 -13.709 3.386 1.00 0.00 C ATOM 766 CG2 VAL A 56 1.717 -11.791 4.729 1.00 0.00 C ATOM 0 H VAL A 56 -1.030 -12.437 3.054 1.00 0.00 H new ATOM 0 HA VAL A 56 1.557 -11.297 2.208 1.00 0.00 H new ATOM 0 HB VAL A 56 0.628 -13.483 4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.982 -14.167 4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.396 -14.489 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.455 -13.093 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.065 -12.288 5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.487 -11.107 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.808 -11.231 4.949 1.00 0.00 H new ATOM 776 N GLY A 57 2.163 -12.827 0.396 1.00 0.00 N ATOM 777 CA GLY A 57 2.440 -13.601 -0.802 1.00 0.00 C ATOM 778 C GLY A 57 1.909 -12.890 -2.048 1.00 0.00 C ATOM 779 O GLY A 57 1.623 -13.532 -3.058 1.00 0.00 O ATOM 0 H GLY A 57 2.852 -12.104 0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.514 -13.757 -0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.981 -14.586 -0.717 1.00 0.00 H new ATOM 783 N ASP A 58 1.794 -11.575 -1.937 1.00 0.00 N ATOM 784 CA ASP A 58 1.302 -10.771 -3.042 1.00 0.00 C ATOM 785 C ASP A 58 2.479 -10.058 -3.712 1.00 0.00 C ATOM 786 O ASP A 58 3.569 -9.985 -3.145 1.00 0.00 O ATOM 787 CB ASP A 58 0.320 -9.704 -2.554 1.00 0.00 C ATOM 788 CG ASP A 58 -1.155 -10.107 -2.613 1.00 0.00 C ATOM 789 OD1 ASP A 58 -1.417 -11.232 -3.091 1.00 0.00 O ATOM 790 OD2 ASP A 58 -1.986 -9.282 -2.178 1.00 0.00 O ATOM 0 H ASP A 58 2.033 -11.046 -1.098 1.00 0.00 H new ATOM 0 HA ASP A 58 0.794 -11.435 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.570 -9.446 -1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.459 -8.803 -3.152 1.00 0.00 H new ATOM 795 N LYS A 59 2.220 -9.551 -4.908 1.00 0.00 N ATOM 796 CA LYS A 59 3.245 -8.847 -5.660 1.00 0.00 C ATOM 797 C LYS A 59 2.687 -7.505 -6.140 1.00 0.00 C ATOM 798 O LYS A 59 1.850 -7.463 -7.040 1.00 0.00 O ATOM 799 CB LYS A 59 3.782 -9.729 -6.789 1.00 0.00 C ATOM 800 CG LYS A 59 4.326 -8.878 -7.938 1.00 0.00 C ATOM 801 CD LYS A 59 4.689 -9.750 -9.142 1.00 0.00 C ATOM 802 CE LYS A 59 5.085 -8.889 -10.343 1.00 0.00 C ATOM 803 NZ LYS A 59 5.856 -9.688 -11.322 1.00 0.00 N ATOM 0 H LYS A 59 1.315 -9.614 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 59 4.102 -8.627 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.571 -10.376 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.988 -10.378 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.581 -8.138 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.206 -8.329 -7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.512 -10.415 -8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.841 -10.382 -9.407 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.191 -8.484 -10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.681 -8.040 -10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.117 -9.088 -12.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.718 -10.053 -10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.275 -10.484 -11.654 1.00 0.00 H new ATOM 817 N ILE A 60 3.175 -6.441 -5.519 1.00 0.00 N ATOM 818 CA ILE A 60 2.736 -5.102 -5.872 1.00 0.00 C ATOM 819 C ILE A 60 3.389 -4.687 -7.191 1.00 0.00 C ATOM 820 O ILE A 60 4.613 -4.605 -7.283 1.00 0.00 O ATOM 821 CB ILE A 60 3.004 -4.130 -4.721 1.00 0.00 C ATOM 822 CG1 ILE A 60 2.227 -4.538 -3.467 1.00 0.00 C ATOM 823 CG2 ILE A 60 2.702 -2.689 -5.138 1.00 0.00 C ATOM 824 CD1 ILE A 60 3.053 -4.285 -2.204 1.00 0.00 C ATOM 0 H ILE A 60 3.870 -6.479 -4.774 1.00 0.00 H new ATOM 0 HA ILE A 60 1.658 -5.084 -6.030 1.00 0.00 H new ATOM 0 HB ILE A 60 4.064 -4.178 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.294 -3.977 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.961 -5.593 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.901 -2.019 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.335 -2.414 -5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.655 -2.606 -5.428 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.478 -4.583 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.974 -4.866 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.296 -3.225 -2.135 1.00 0.00 H new ATOM 836 N THR A 61 2.544 -4.436 -8.180 1.00 0.00 N ATOM 837 CA THR A 61 3.024 -4.031 -9.490 1.00 0.00 C ATOM 838 C THR A 61 2.883 -2.518 -9.666 1.00 0.00 C ATOM 839 O THR A 61 3.590 -1.914 -10.472 1.00 0.00 O ATOM 840 CB THR A 61 2.262 -4.839 -10.543 1.00 0.00 C ATOM 841 OG1 THR A 61 0.909 -4.418 -10.392 1.00 0.00 O ATOM 842 CG2 THR A 61 2.225 -6.334 -10.220 1.00 0.00 C ATOM 0 H THR A 61 1.529 -4.505 -8.100 1.00 0.00 H new ATOM 0 HA THR A 61 4.087 -4.242 -9.604 1.00 0.00 H new ATOM 0 HB THR A 61 2.724 -4.690 -11.519 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.515 -4.857 -9.609 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.673 -6.861 -10.998 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.243 -6.721 -10.172 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.733 -6.487 -9.259 1.00 0.00 H new ATOM 850 N GLU A 62 1.965 -1.948 -8.899 1.00 0.00 N ATOM 851 CA GLU A 62 1.722 -0.517 -8.960 1.00 0.00 C ATOM 852 C GLU A 62 1.067 -0.034 -7.665 1.00 0.00 C ATOM 853 O GLU A 62 0.443 -0.818 -6.951 1.00 0.00 O ATOM 854 CB GLU A 62 0.864 -0.158 -10.175 1.00 0.00 C ATOM 855 CG GLU A 62 0.295 1.257 -10.046 1.00 0.00 C ATOM 856 CD GLU A 62 -0.482 1.652 -11.303 1.00 0.00 C ATOM 857 OE1 GLU A 62 0.187 1.900 -12.329 1.00 0.00 O ATOM 858 OE2 GLU A 62 -1.728 1.698 -11.209 1.00 0.00 O ATOM 0 H GLU A 62 1.380 -2.452 -8.232 1.00 0.00 H new ATOM 0 HA GLU A 62 2.681 -0.010 -9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.463 -0.231 -11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.048 -0.874 -10.273 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.361 1.311 -9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.106 1.965 -9.878 1.00 0.00 H new ATOM 865 N VAL A 63 1.231 1.253 -7.400 1.00 0.00 N ATOM 866 CA VAL A 63 0.664 1.850 -6.203 1.00 0.00 C ATOM 867 C VAL A 63 0.417 3.340 -6.448 1.00 0.00 C ATOM 868 O VAL A 63 1.324 4.064 -6.857 1.00 0.00 O ATOM 869 CB VAL A 63 1.575 1.585 -5.003 1.00 0.00 C ATOM 870 CG1 VAL A 63 1.068 2.313 -3.757 1.00 0.00 C ATOM 871 CG2 VAL A 63 1.716 0.084 -4.743 1.00 0.00 C ATOM 0 H VAL A 63 1.749 1.900 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.299 1.395 -5.970 1.00 0.00 H new ATOM 0 HB VAL A 63 2.564 1.978 -5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.734 2.107 -2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.045 3.386 -3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.064 1.965 -3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.369 -0.077 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.735 -0.343 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.145 -0.399 -5.621 1.00 0.00 H new ATOM 881 N ASN A 64 -0.815 3.754 -6.189 1.00 0.00 N ATOM 882 CA ASN A 64 -1.192 5.145 -6.377 1.00 0.00 C ATOM 883 C ASN A 64 -0.879 5.564 -7.815 1.00 0.00 C ATOM 884 O ASN A 64 -0.674 6.745 -8.090 1.00 0.00 O ATOM 885 CB ASN A 64 -0.406 6.060 -5.436 1.00 0.00 C ATOM 886 CG ASN A 64 -1.350 6.919 -4.592 1.00 0.00 C ATOM 887 OD1 ASN A 64 -2.346 7.441 -5.065 1.00 0.00 O ATOM 888 ND2 ASN A 64 -0.982 7.035 -3.319 1.00 0.00 N ATOM 0 H ASN A 64 -1.565 3.151 -5.851 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.257 5.238 -6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.226 5.459 -4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.255 6.703 -6.017 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.546 7.588 -2.673 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.136 6.571 -2.988 1.00 0.00 H new ATOM 895 N GLY A 65 -0.851 4.572 -8.694 1.00 0.00 N ATOM 896 CA GLY A 65 -0.567 4.824 -10.096 1.00 0.00 C ATOM 897 C GLY A 65 0.901 4.539 -10.418 1.00 0.00 C ATOM 898 O GLY A 65 1.206 3.868 -11.403 1.00 0.00 O ATOM 0 H GLY A 65 -1.020 3.593 -8.462 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.207 4.199 -10.718 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.801 5.861 -10.338 1.00 0.00 H new ATOM 902 N LEU A 66 1.772 5.062 -9.567 1.00 0.00 N ATOM 903 CA LEU A 66 3.202 4.872 -9.748 1.00 0.00 C ATOM 904 C LEU A 66 3.499 3.378 -9.896 1.00 0.00 C ATOM 905 O LEU A 66 3.130 2.580 -9.035 1.00 0.00 O ATOM 906 CB LEU A 66 3.979 5.544 -8.615 1.00 0.00 C ATOM 907 CG LEU A 66 4.229 7.046 -8.772 1.00 0.00 C ATOM 908 CD1 LEU A 66 5.514 7.308 -9.559 1.00 0.00 C ATOM 909 CD2 LEU A 66 3.020 7.740 -9.401 1.00 0.00 C ATOM 0 H LEU A 66 1.515 5.617 -8.751 1.00 0.00 H new ATOM 0 HA LEU A 66 3.538 5.356 -10.665 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.437 5.381 -7.683 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.942 5.044 -8.515 1.00 0.00 H new ATOM 0 HG LEU A 66 4.366 7.475 -7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.668 8.383 -9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.360 6.866 -9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.431 6.862 -10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.224 8.806 -9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.827 7.313 -10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.146 7.596 -8.765 1.00 0.00 H new ATOM 921 N SER A 67 4.162 3.045 -10.994 1.00 0.00 N ATOM 922 CA SER A 67 4.513 1.662 -11.265 1.00 0.00 C ATOM 923 C SER A 67 5.803 1.295 -10.529 1.00 0.00 C ATOM 924 O SER A 67 6.834 1.937 -10.718 1.00 0.00 O ATOM 925 CB SER A 67 4.671 1.418 -12.767 1.00 0.00 C ATOM 926 OG SER A 67 4.636 0.031 -13.090 1.00 0.00 O ATOM 0 H SER A 67 4.465 3.709 -11.706 1.00 0.00 H new ATOM 0 HA SER A 67 3.704 1.027 -10.904 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.876 1.935 -13.304 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.615 1.845 -13.106 1.00 0.00 H new ATOM 0 HG SER A 67 4.738 -0.082 -14.058 1.00 0.00 H new ATOM 932 N LEU A 68 5.702 0.262 -9.705 1.00 0.00 N ATOM 933 CA LEU A 68 6.848 -0.198 -8.939 1.00 0.00 C ATOM 934 C LEU A 68 7.420 -1.458 -9.592 1.00 0.00 C ATOM 935 O LEU A 68 7.755 -2.421 -8.904 1.00 0.00 O ATOM 936 CB LEU A 68 6.470 -0.385 -7.468 1.00 0.00 C ATOM 937 CG LEU A 68 5.580 0.701 -6.861 1.00 0.00 C ATOM 938 CD1 LEU A 68 5.350 0.451 -5.369 1.00 0.00 C ATOM 939 CD2 LEU A 68 6.155 2.093 -7.128 1.00 0.00 C ATOM 0 H LEU A 68 4.845 -0.269 -9.551 1.00 0.00 H new ATOM 0 HA LEU A 68 7.638 0.553 -8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.962 -1.344 -7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.387 -0.444 -6.882 1.00 0.00 H new ATOM 0 HG LEU A 68 4.606 0.657 -7.348 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.714 1.237 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.864 -0.515 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.307 0.453 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.503 2.847 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.148 2.167 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.224 2.258 -8.203 1.00 0.00 H new ATOM 951 N GLU A 69 7.513 -1.411 -10.913 1.00 0.00 N ATOM 952 CA GLU A 69 8.038 -2.537 -11.667 1.00 0.00 C ATOM 953 C GLU A 69 9.553 -2.403 -11.836 1.00 0.00 C ATOM 954 O GLU A 69 10.223 -3.353 -12.238 1.00 0.00 O ATOM 955 CB GLU A 69 7.344 -2.659 -13.025 1.00 0.00 C ATOM 956 CG GLU A 69 6.212 -3.688 -12.971 1.00 0.00 C ATOM 957 CD GLU A 69 6.127 -4.478 -14.278 1.00 0.00 C ATOM 958 OE1 GLU A 69 6.298 -3.840 -15.340 1.00 0.00 O ATOM 959 OE2 GLU A 69 5.892 -5.702 -14.187 1.00 0.00 O ATOM 0 H GLU A 69 7.234 -0.611 -11.480 1.00 0.00 H new ATOM 0 HA GLU A 69 7.834 -3.450 -11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.945 -1.689 -13.322 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.070 -2.951 -13.784 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.377 -4.372 -12.138 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.264 -3.182 -12.785 1.00 0.00 H new ATOM 966 N SER A 70 10.048 -1.215 -11.520 1.00 0.00 N ATOM 967 CA SER A 70 11.471 -0.944 -11.631 1.00 0.00 C ATOM 968 C SER A 70 11.810 0.371 -10.928 1.00 0.00 C ATOM 969 O SER A 70 12.392 1.271 -11.532 1.00 0.00 O ATOM 970 CB SER A 70 11.909 -0.891 -13.096 1.00 0.00 C ATOM 971 OG SER A 70 11.227 0.130 -13.820 1.00 0.00 O ATOM 0 H SER A 70 9.489 -0.430 -11.187 1.00 0.00 H new ATOM 0 HA SER A 70 12.012 -1.757 -11.147 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.984 -0.716 -13.147 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.721 -1.856 -13.566 1.00 0.00 H new ATOM 0 HG SER A 70 11.454 1.006 -13.443 1.00 0.00 H new ATOM 977 N THR A 71 11.433 0.442 -9.660 1.00 0.00 N ATOM 978 CA THR A 71 11.689 1.632 -8.867 1.00 0.00 C ATOM 979 C THR A 71 12.368 1.259 -7.548 1.00 0.00 C ATOM 980 O THR A 71 12.173 0.158 -7.035 1.00 0.00 O ATOM 981 CB THR A 71 10.362 2.371 -8.680 1.00 0.00 C ATOM 982 OG1 THR A 71 10.741 3.740 -8.561 1.00 0.00 O ATOM 983 CG2 THR A 71 9.698 2.050 -7.340 1.00 0.00 C ATOM 0 H THR A 71 10.952 -0.306 -9.162 1.00 0.00 H new ATOM 0 HA THR A 71 12.382 2.303 -9.374 1.00 0.00 H new ATOM 0 HB THR A 71 9.684 2.111 -9.493 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.940 4.292 -8.438 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.760 2.600 -7.258 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.498 0.980 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.362 2.341 -6.526 1.00 0.00 H new ATOM 991 N THR A 72 13.152 2.197 -7.037 1.00 0.00 N ATOM 992 CA THR A 72 13.862 1.980 -5.788 1.00 0.00 C ATOM 993 C THR A 72 12.874 1.892 -4.622 1.00 0.00 C ATOM 994 O THR A 72 11.936 2.683 -4.538 1.00 0.00 O ATOM 995 CB THR A 72 14.891 3.100 -5.628 1.00 0.00 C ATOM 996 OG1 THR A 72 15.372 2.943 -4.296 1.00 0.00 O ATOM 997 CG2 THR A 72 14.251 4.490 -5.631 1.00 0.00 C ATOM 0 H THR A 72 13.311 3.109 -7.465 1.00 0.00 H new ATOM 0 HA THR A 72 14.394 1.029 -5.796 1.00 0.00 H new ATOM 0 HB THR A 72 15.623 3.036 -6.433 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.046 3.629 -4.109 1.00 0.00 H new ATOM 0 HG21 THR A 72 15.026 5.248 -5.514 1.00 0.00 H new ATOM 0 HG22 THR A 72 13.728 4.648 -6.574 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.542 4.566 -4.806 1.00 0.00 H new ATOM 1005 N MET A 73 13.119 0.922 -3.753 1.00 0.00 N ATOM 1006 CA MET A 73 12.263 0.720 -2.596 1.00 0.00 C ATOM 1007 C MET A 73 11.929 2.053 -1.923 1.00 0.00 C ATOM 1008 O MET A 73 10.765 2.336 -1.643 1.00 0.00 O ATOM 1009 CB MET A 73 12.967 -0.196 -1.594 1.00 0.00 C ATOM 1010 CG MET A 73 12.022 -0.596 -0.459 1.00 0.00 C ATOM 1011 SD MET A 73 10.571 -1.394 -1.126 1.00 0.00 S ATOM 1012 CE MET A 73 10.699 -2.986 -0.330 1.00 0.00 C ATOM 0 H MET A 73 13.898 0.268 -3.827 1.00 0.00 H new ATOM 0 HA MET A 73 11.333 0.260 -2.930 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.328 -1.089 -2.104 1.00 0.00 H new ATOM 0 HB3 MET A 73 13.840 0.311 -1.183 1.00 0.00 H new ATOM 0 HG2 MET A 73 12.532 -1.268 0.230 1.00 0.00 H new ATOM 0 HG3 MET A 73 11.732 0.286 0.112 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.884 -3.627 -0.666 1.00 0.00 H new ATOM 0 HE2 MET A 73 11.653 -3.446 -0.588 1.00 0.00 H new ATOM 0 HE3 MET A 73 10.638 -2.858 0.751 1.00 0.00 H new ATOM 1022 N GLY A 74 12.970 2.835 -1.681 1.00 0.00 N ATOM 1023 CA GLY A 74 12.802 4.131 -1.045 1.00 0.00 C ATOM 1024 C GLY A 74 11.615 4.886 -1.646 1.00 0.00 C ATOM 1025 O GLY A 74 10.588 5.057 -0.991 1.00 0.00 O ATOM 0 H GLY A 74 13.934 2.596 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.648 3.998 0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.711 4.720 -1.166 1.00 0.00 H new ATOM 1029 N SER A 75 11.795 5.317 -2.886 1.00 0.00 N ATOM 1030 CA SER A 75 10.751 6.050 -3.582 1.00 0.00 C ATOM 1031 C SER A 75 9.385 5.433 -3.275 1.00 0.00 C ATOM 1032 O SER A 75 8.509 6.098 -2.724 1.00 0.00 O ATOM 1033 CB SER A 75 11.001 6.064 -5.091 1.00 0.00 C ATOM 1034 OG SER A 75 11.781 7.186 -5.493 1.00 0.00 O ATOM 0 H SER A 75 12.648 5.173 -3.426 1.00 0.00 H new ATOM 0 HA SER A 75 10.764 7.081 -3.230 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.510 5.145 -5.382 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.046 6.080 -5.616 1.00 0.00 H new ATOM 0 HG SER A 75 11.920 7.157 -6.463 1.00 0.00 H new ATOM 1040 N ALA A 76 9.245 4.169 -3.647 1.00 0.00 N ATOM 1041 CA ALA A 76 8.001 3.455 -3.419 1.00 0.00 C ATOM 1042 C ALA A 76 7.520 3.720 -1.990 1.00 0.00 C ATOM 1043 O ALA A 76 6.341 3.992 -1.769 1.00 0.00 O ATOM 1044 CB ALA A 76 8.208 1.965 -3.697 1.00 0.00 C ATOM 0 H ALA A 76 9.973 3.621 -4.105 1.00 0.00 H new ATOM 0 HA ALA A 76 7.226 3.809 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.274 1.430 -3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.520 1.828 -4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.978 1.574 -3.031 1.00 0.00 H new ATOM 1050 N VAL A 77 8.458 3.630 -1.059 1.00 0.00 N ATOM 1051 CA VAL A 77 8.145 3.856 0.342 1.00 0.00 C ATOM 1052 C VAL A 77 7.740 5.319 0.540 1.00 0.00 C ATOM 1053 O VAL A 77 6.645 5.603 1.021 1.00 0.00 O ATOM 1054 CB VAL A 77 9.329 3.440 1.217 1.00 0.00 C ATOM 1055 CG1 VAL A 77 9.058 3.750 2.690 1.00 0.00 C ATOM 1056 CG2 VAL A 77 9.663 1.960 1.020 1.00 0.00 C ATOM 0 H VAL A 77 9.435 3.404 -1.247 1.00 0.00 H new ATOM 0 HA VAL A 77 7.300 3.240 0.649 1.00 0.00 H new ATOM 0 HB VAL A 77 10.196 4.023 0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.915 3.444 3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.893 4.820 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.173 3.206 3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.508 1.690 1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.799 1.353 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.920 1.781 -0.024 1.00 0.00 H new ATOM 1066 N LYS A 78 8.646 6.207 0.158 1.00 0.00 N ATOM 1067 CA LYS A 78 8.397 7.632 0.288 1.00 0.00 C ATOM 1068 C LYS A 78 6.974 7.942 -0.181 1.00 0.00 C ATOM 1069 O LYS A 78 6.281 8.758 0.425 1.00 0.00 O ATOM 1070 CB LYS A 78 9.474 8.433 -0.447 1.00 0.00 C ATOM 1071 CG LYS A 78 9.971 9.599 0.410 1.00 0.00 C ATOM 1072 CD LYS A 78 10.567 10.706 -0.462 1.00 0.00 C ATOM 1073 CE LYS A 78 11.463 11.632 0.364 1.00 0.00 C ATOM 1074 NZ LYS A 78 10.643 12.531 1.206 1.00 0.00 N ATOM 0 H LYS A 78 9.553 5.967 -0.241 1.00 0.00 H new ATOM 0 HA LYS A 78 8.462 7.936 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.310 7.780 -0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.072 8.813 -1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.146 10.000 0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.722 9.243 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.145 10.263 -1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.765 11.284 -0.921 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.126 11.039 0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.096 12.222 -0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.266 13.152 1.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.028 13.110 0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.058 11.964 1.852 1.00 0.00 H new ATOM 1088 N VAL A 79 6.580 7.274 -1.255 1.00 0.00 N ATOM 1089 CA VAL A 79 5.252 7.467 -1.811 1.00 0.00 C ATOM 1090 C VAL A 79 4.239 6.663 -0.993 1.00 0.00 C ATOM 1091 O VAL A 79 3.170 7.168 -0.653 1.00 0.00 O ATOM 1092 CB VAL A 79 5.248 7.099 -3.296 1.00 0.00 C ATOM 1093 CG1 VAL A 79 3.881 7.374 -3.926 1.00 0.00 C ATOM 1094 CG2 VAL A 79 6.357 7.839 -4.047 1.00 0.00 C ATOM 0 H VAL A 79 7.158 6.598 -1.755 1.00 0.00 H new ATOM 0 HA VAL A 79 4.961 8.516 -1.749 1.00 0.00 H new ATOM 0 HB VAL A 79 5.444 6.030 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.906 7.104 -4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.120 6.782 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.642 8.433 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.332 7.560 -5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.205 8.914 -3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.325 7.571 -3.623 1.00 0.00 H new ATOM 1104 N LEU A 80 4.611 5.425 -0.702 1.00 0.00 N ATOM 1105 CA LEU A 80 3.748 4.547 0.070 1.00 0.00 C ATOM 1106 C LEU A 80 3.487 5.172 1.442 1.00 0.00 C ATOM 1107 O LEU A 80 2.529 4.807 2.121 1.00 0.00 O ATOM 1108 CB LEU A 80 4.342 3.138 0.138 1.00 0.00 C ATOM 1109 CG LEU A 80 3.856 2.153 -0.927 1.00 0.00 C ATOM 1110 CD1 LEU A 80 4.829 0.982 -1.074 1.00 0.00 C ATOM 1111 CD2 LEU A 80 2.432 1.682 -0.630 1.00 0.00 C ATOM 0 H LEU A 80 5.498 5.009 -0.987 1.00 0.00 H new ATOM 0 HA LEU A 80 2.780 4.437 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.426 3.218 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.121 2.719 1.120 1.00 0.00 H new ATOM 0 HG LEU A 80 3.829 2.672 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.461 0.296 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.809 1.358 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.912 0.456 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.111 0.983 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.408 1.187 0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.760 2.540 -0.616 1.00 0.00 H new ATOM 1123 N THR A 81 4.356 6.102 1.808 1.00 0.00 N ATOM 1124 CA THR A 81 4.232 6.781 3.086 1.00 0.00 C ATOM 1125 C THR A 81 3.802 8.234 2.879 1.00 0.00 C ATOM 1126 O THR A 81 3.734 9.008 3.833 1.00 0.00 O ATOM 1127 CB THR A 81 5.563 6.641 3.828 1.00 0.00 C ATOM 1128 OG1 THR A 81 5.311 7.219 5.106 1.00 0.00 O ATOM 1129 CG2 THR A 81 6.661 7.523 3.230 1.00 0.00 C ATOM 0 H THR A 81 5.149 6.401 1.241 1.00 0.00 H new ATOM 0 HA THR A 81 3.453 6.329 3.699 1.00 0.00 H new ATOM 0 HB THR A 81 5.882 5.599 3.808 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.589 7.877 5.031 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.584 7.386 3.793 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.826 7.244 2.189 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.356 8.568 3.281 1.00 0.00 H new ATOM 1137 N SER A 82 3.522 8.562 1.626 1.00 0.00 N ATOM 1138 CA SER A 82 3.100 9.909 1.281 1.00 0.00 C ATOM 1139 C SER A 82 1.832 9.858 0.427 1.00 0.00 C ATOM 1140 O SER A 82 1.900 9.948 -0.798 1.00 0.00 O ATOM 1141 CB SER A 82 4.208 10.661 0.541 1.00 0.00 C ATOM 1142 OG SER A 82 3.910 12.047 0.398 1.00 0.00 O ATOM 0 H SER A 82 3.579 7.918 0.837 1.00 0.00 H new ATOM 0 HA SER A 82 2.887 10.447 2.205 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.147 10.546 1.082 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.351 10.218 -0.444 1.00 0.00 H new ATOM 0 HG SER A 82 4.642 12.492 -0.078 1.00 0.00 H new ATOM 1148 N SER A 83 0.704 9.712 1.107 1.00 0.00 N ATOM 1149 CA SER A 83 -0.577 9.648 0.425 1.00 0.00 C ATOM 1150 C SER A 83 -1.681 9.281 1.420 1.00 0.00 C ATOM 1151 O SER A 83 -1.455 8.501 2.343 1.00 0.00 O ATOM 1152 CB SER A 83 -0.541 8.637 -0.723 1.00 0.00 C ATOM 1153 OG SER A 83 0.430 7.617 -0.505 1.00 0.00 O ATOM 0 H SER A 83 0.651 9.636 2.123 1.00 0.00 H new ATOM 0 HA SER A 83 -0.788 10.630 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.525 8.182 -0.837 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.319 9.155 -1.656 1.00 0.00 H new ATOM 0 HG SER A 83 0.770 7.299 -1.367 1.00 0.00 H new ATOM 1159 N SER A 84 -2.851 9.863 1.197 1.00 0.00 N ATOM 1160 CA SER A 84 -3.990 9.608 2.062 1.00 0.00 C ATOM 1161 C SER A 84 -4.855 8.492 1.473 1.00 0.00 C ATOM 1162 O SER A 84 -5.939 8.208 1.981 1.00 0.00 O ATOM 1163 CB SER A 84 -4.823 10.875 2.265 1.00 0.00 C ATOM 1164 OG SER A 84 -4.043 11.949 2.783 1.00 0.00 O ATOM 0 H SER A 84 -3.034 10.510 0.430 1.00 0.00 H new ATOM 0 HA SER A 84 -3.616 9.293 3.036 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.266 11.174 1.315 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.646 10.662 2.947 1.00 0.00 H new ATOM 0 HG SER A 84 -4.610 12.740 2.897 1.00 0.00 H new ATOM 1170 N ARG A 85 -4.344 7.890 0.409 1.00 0.00 N ATOM 1171 CA ARG A 85 -5.057 6.812 -0.255 1.00 0.00 C ATOM 1172 C ARG A 85 -4.129 6.081 -1.227 1.00 0.00 C ATOM 1173 O ARG A 85 -3.929 6.528 -2.356 1.00 0.00 O ATOM 1174 CB ARG A 85 -6.270 7.344 -1.022 1.00 0.00 C ATOM 1175 CG ARG A 85 -7.575 6.886 -0.370 1.00 0.00 C ATOM 1176 CD ARG A 85 -8.623 8.000 -0.398 1.00 0.00 C ATOM 1177 NE ARG A 85 -9.981 7.421 -0.289 1.00 0.00 N ATOM 1178 CZ ARG A 85 -11.083 8.135 -0.023 1.00 0.00 C ATOM 1179 NH1 ARG A 85 -10.995 9.459 0.162 1.00 0.00 N ATOM 1180 NH2 ARG A 85 -12.274 7.526 0.057 1.00 0.00 N ATOM 0 H ARG A 85 -3.445 8.128 -0.010 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.402 6.120 0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.237 8.433 -1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.233 6.996 -2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.958 6.009 -0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.385 6.586 0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.448 8.695 0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.535 8.570 -1.323 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.084 6.415 -0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.089 9.923 0.100 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.834 10.003 0.364 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.342 6.518 -0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.113 8.070 0.260 1.00 0.00 H new ATOM 1194 N LEU A 86 -3.585 4.970 -0.753 1.00 0.00 N ATOM 1195 CA LEU A 86 -2.682 4.173 -1.565 1.00 0.00 C ATOM 1196 C LEU A 86 -3.493 3.164 -2.382 1.00 0.00 C ATOM 1197 O LEU A 86 -4.250 2.372 -1.822 1.00 0.00 O ATOM 1198 CB LEU A 86 -1.602 3.530 -0.693 1.00 0.00 C ATOM 1199 CG LEU A 86 -0.680 4.497 0.053 1.00 0.00 C ATOM 1200 CD1 LEU A 86 -1.489 5.548 0.815 1.00 0.00 C ATOM 1201 CD2 LEU A 86 0.283 3.739 0.970 1.00 0.00 C ATOM 0 H LEU A 86 -3.752 4.603 0.184 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.150 4.806 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.089 2.886 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.988 2.887 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.075 5.027 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.810 6.222 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.098 6.118 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.137 5.054 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.927 4.449 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.287 3.165 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.895 3.062 0.375 1.00 0.00 H new ATOM 1213 N HIS A 87 -3.308 3.227 -3.692 1.00 0.00 N ATOM 1214 CA HIS A 87 -4.013 2.329 -4.591 1.00 0.00 C ATOM 1215 C HIS A 87 -3.024 1.334 -5.202 1.00 0.00 C ATOM 1216 O HIS A 87 -2.474 1.579 -6.275 1.00 0.00 O ATOM 1217 CB HIS A 87 -4.789 3.118 -5.648 1.00 0.00 C ATOM 1218 CG HIS A 87 -6.285 3.116 -5.439 1.00 0.00 C ATOM 1219 ND1 HIS A 87 -7.073 4.233 -5.652 1.00 0.00 N ATOM 1220 CD2 HIS A 87 -7.127 2.122 -5.036 1.00 0.00 C ATOM 1221 CE1 HIS A 87 -8.331 3.915 -5.386 1.00 0.00 C ATOM 1222 NE2 HIS A 87 -8.363 2.606 -5.004 1.00 0.00 N ATOM 0 H HIS A 87 -2.680 3.886 -4.153 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.753 1.756 -4.032 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.434 4.149 -5.651 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.569 2.702 -6.631 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -6.741 5.147 -5.961 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.838 1.112 -4.785 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.182 4.576 -5.459 1.00 0.00 H new ATOM 1230 N MET A 88 -2.829 0.232 -4.493 1.00 0.00 N ATOM 1231 CA MET A 88 -1.917 -0.802 -4.952 1.00 0.00 C ATOM 1232 C MET A 88 -2.673 -1.921 -5.670 1.00 0.00 C ATOM 1233 O MET A 88 -3.781 -2.280 -5.275 1.00 0.00 O ATOM 1234 CB MET A 88 -1.160 -1.382 -3.756 1.00 0.00 C ATOM 1235 CG MET A 88 -0.655 -0.270 -2.835 1.00 0.00 C ATOM 1236 SD MET A 88 -1.433 -0.403 -1.234 1.00 0.00 S ATOM 1237 CE MET A 88 -0.333 -1.571 -0.450 1.00 0.00 C ATOM 0 H MET A 88 -3.287 0.032 -3.604 1.00 0.00 H new ATOM 0 HA MET A 88 -1.215 -0.355 -5.656 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.814 -2.052 -3.198 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.318 -1.978 -4.108 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.428 -0.338 -2.729 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.872 0.704 -3.274 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.283 -1.363 0.619 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.706 -2.583 -0.606 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.663 -1.481 -0.884 1.00 0.00 H new ATOM 1247 N MET A 89 -2.044 -2.442 -6.714 1.00 0.00 N ATOM 1248 CA MET A 89 -2.643 -3.513 -7.491 1.00 0.00 C ATOM 1249 C MET A 89 -1.634 -4.633 -7.752 1.00 0.00 C ATOM 1250 O MET A 89 -0.573 -4.395 -8.327 1.00 0.00 O ATOM 1251 CB MET A 89 -3.145 -2.957 -8.825 1.00 0.00 C ATOM 1252 CG MET A 89 -3.687 -1.536 -8.658 1.00 0.00 C ATOM 1253 SD MET A 89 -5.182 -1.564 -7.683 1.00 0.00 S ATOM 1254 CE MET A 89 -6.292 -2.351 -8.839 1.00 0.00 C ATOM 0 H MET A 89 -1.125 -2.142 -7.039 1.00 0.00 H new ATOM 0 HA MET A 89 -3.476 -3.926 -6.922 1.00 0.00 H new ATOM 0 HB2 MET A 89 -2.333 -2.957 -9.552 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.927 -3.604 -9.221 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.939 -0.907 -8.175 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.888 -1.098 -9.635 1.00 0.00 H new ATOM 0 HE1 MET A 89 -7.253 -1.837 -8.828 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.867 -2.303 -9.842 1.00 0.00 H new ATOM 0 HE3 MET A 89 -6.434 -3.394 -8.554 1.00 0.00 H new ATOM 1264 N VAL A 90 -1.999 -5.829 -7.316 1.00 0.00 N ATOM 1265 CA VAL A 90 -1.139 -6.986 -7.495 1.00 0.00 C ATOM 1266 C VAL A 90 -1.654 -7.823 -8.667 1.00 0.00 C ATOM 1267 O VAL A 90 -2.820 -7.718 -9.044 1.00 0.00 O ATOM 1268 CB VAL A 90 -1.048 -7.778 -6.189 1.00 0.00 C ATOM 1269 CG1 VAL A 90 -0.463 -6.919 -5.066 1.00 0.00 C ATOM 1270 CG2 VAL A 90 -2.414 -8.341 -5.793 1.00 0.00 C ATOM 0 H VAL A 90 -2.880 -6.022 -6.839 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.124 -6.673 -7.741 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.374 -8.619 -6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.409 -7.506 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.538 -6.589 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.100 -6.050 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.321 -8.899 -4.862 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.119 -7.521 -5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.776 -9.004 -6.579 1.00 0.00 H new ATOM 1280 N ARG A 91 -0.760 -8.636 -9.211 1.00 0.00 N ATOM 1281 CA ARG A 91 -1.110 -9.491 -10.332 1.00 0.00 C ATOM 1282 C ARG A 91 -1.197 -10.950 -9.881 1.00 0.00 C ATOM 1283 O ARG A 91 -0.174 -11.612 -9.709 1.00 0.00 O ATOM 1284 CB ARG A 91 -0.080 -9.372 -11.457 1.00 0.00 C ATOM 1285 CG ARG A 91 -0.452 -8.248 -12.425 1.00 0.00 C ATOM 1286 CD ARG A 91 0.372 -8.337 -13.712 1.00 0.00 C ATOM 1287 NE ARG A 91 -0.215 -7.460 -14.750 1.00 0.00 N ATOM 1288 CZ ARG A 91 0.004 -6.141 -14.831 1.00 0.00 C ATOM 1289 NH1 ARG A 91 0.799 -5.538 -13.936 1.00 0.00 N ATOM 1290 NH2 ARG A 91 -0.570 -5.425 -15.807 1.00 0.00 N ATOM 0 H ARG A 91 0.206 -8.720 -8.896 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.080 -9.166 -10.707 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.906 -9.180 -11.033 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.016 -10.316 -11.998 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.514 -8.306 -12.664 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.285 -7.282 -11.948 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.403 -8.042 -13.515 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.398 -9.367 -14.067 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.825 -7.887 -15.447 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.237 -6.084 -13.194 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.966 -4.534 -13.997 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.174 -5.884 -16.489 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.403 -4.421 -15.868 1.00 0.00 H new ATOM 1304 N ARG A 92 -2.427 -11.408 -9.701 1.00 0.00 N ATOM 1305 CA ARG A 92 -2.660 -12.777 -9.273 1.00 0.00 C ATOM 1306 C ARG A 92 -3.921 -13.334 -9.937 1.00 0.00 C ATOM 1307 O ARG A 92 -4.884 -12.602 -10.161 1.00 0.00 O ATOM 1308 CB ARG A 92 -2.814 -12.860 -7.753 1.00 0.00 C ATOM 1309 CG ARG A 92 -1.882 -13.920 -7.164 1.00 0.00 C ATOM 1310 CD ARG A 92 -2.267 -14.248 -5.720 1.00 0.00 C ATOM 1311 NE ARG A 92 -2.887 -15.590 -5.654 1.00 0.00 N ATOM 1312 CZ ARG A 92 -3.149 -16.242 -4.513 1.00 0.00 C ATOM 1313 NH1 ARG A 92 -2.847 -15.679 -3.335 1.00 0.00 N ATOM 1314 NH2 ARG A 92 -3.714 -17.457 -4.549 1.00 0.00 N ATOM 0 H ARG A 92 -3.273 -10.856 -9.844 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.795 -13.369 -9.573 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.594 -11.890 -7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.847 -13.099 -7.501 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.926 -14.825 -7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.853 -13.563 -7.197 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.383 -14.215 -5.083 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.962 -13.498 -5.341 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.130 -16.048 -6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.418 -14.754 -3.307 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.046 -16.175 -2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.945 -17.886 -5.445 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.913 -17.953 -3.680 1.00 0.00 H new