USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 401 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 50 TYR OH : rot 0:sc= -2.7! USER MOD Single : A 22 TYR OH : rot 164:sc= 0.0131 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.0566 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -38:sc= 1.26 USER MOD Single : A 45 GLN : amide:sc= -0.0364 K(o=-0.036,f=-1.2) USER MOD Single : A 46 THR OG1 : rot 149:sc= 1.99 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 1.21 K(o=1.2,f=-0.2) USER MOD Single : A 57 GLN : amide:sc= 0.672 K(o=0.67,f=-6.1!) USER MOD Single : A 58 SER OG : rot 94:sc= 0.168 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 62 CYS SG : rot 56:sc= -0.859 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0.349 (180deg=0.349) USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= -0.0368 (180deg=-0.341) USER MOD ----------------------------------------------------------------- ATOM 176 N THR A 21 6.289 7.109 -2.905 1.00 0.00 N ATOM 177 CA THR A 21 5.257 7.862 -2.279 1.00 0.00 C ATOM 178 C THR A 21 3.988 7.764 -3.103 1.00 0.00 C ATOM 179 O THR A 21 4.028 7.455 -4.302 1.00 0.00 O ATOM 180 CB THR A 21 5.681 9.335 -2.033 1.00 0.00 C ATOM 181 OG1 THR A 21 4.703 10.024 -1.234 1.00 0.00 O ATOM 182 CG2 THR A 21 5.854 10.060 -3.348 1.00 0.00 C ATOM 0 HA THR A 21 5.064 7.438 -1.294 1.00 0.00 H new ATOM 0 HB THR A 21 6.630 9.324 -1.497 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.991 10.949 -1.090 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.151 11.091 -3.158 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.624 9.563 -3.939 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.912 10.049 -3.896 1.00 0.00 H new ATOM 190 N TYR A 22 2.877 7.970 -2.463 1.00 0.00 N ATOM 191 CA TYR A 22 1.596 7.804 -3.080 1.00 0.00 C ATOM 192 C TYR A 22 0.684 8.905 -2.618 1.00 0.00 C ATOM 193 O TYR A 22 0.901 9.482 -1.565 1.00 0.00 O ATOM 194 CB TYR A 22 0.994 6.456 -2.675 1.00 0.00 C ATOM 195 CG TYR A 22 1.779 5.229 -3.093 1.00 0.00 C ATOM 196 CD1 TYR A 22 2.889 4.811 -2.375 1.00 0.00 C ATOM 197 CD2 TYR A 22 1.412 4.497 -4.207 1.00 0.00 C ATOM 198 CE1 TYR A 22 3.608 3.717 -2.755 1.00 0.00 C ATOM 199 CE2 TYR A 22 2.122 3.391 -4.589 1.00 0.00 C ATOM 200 CZ TYR A 22 3.223 3.005 -3.862 1.00 0.00 C ATOM 201 OH TYR A 22 3.956 1.922 -4.267 1.00 0.00 O ATOM 0 H TYR A 22 2.834 8.261 -1.486 1.00 0.00 H new ATOM 0 HA TYR A 22 1.710 7.838 -4.163 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.883 6.441 -1.591 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.008 6.385 -3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.190 5.363 -1.497 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.552 4.803 -4.785 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.475 3.413 -2.188 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.819 2.824 -5.457 1.00 0.00 H new ATOM 0 HH TYR A 22 3.424 1.380 -4.887 1.00 0.00 H new ATOM 211 N ALA A 23 -0.316 9.190 -3.389 1.00 0.00 N ATOM 212 CA ALA A 23 -1.268 10.209 -3.045 1.00 0.00 C ATOM 213 C ALA A 23 -2.525 9.546 -2.525 1.00 0.00 C ATOM 214 O ALA A 23 -2.846 8.431 -2.940 1.00 0.00 O ATOM 215 CB ALA A 23 -1.578 11.058 -4.263 1.00 0.00 C ATOM 0 H ALA A 23 -0.500 8.725 -4.278 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.857 10.859 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.301 11.829 -3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.662 11.528 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.994 10.428 -5.049 1.00 0.00 H new ATOM 221 N LEU A 24 -3.204 10.188 -1.593 1.00 0.00 N ATOM 222 CA LEU A 24 -4.450 9.655 -1.057 1.00 0.00 C ATOM 223 C LEU A 24 -5.507 9.625 -2.147 1.00 0.00 C ATOM 224 O LEU A 24 -5.372 10.326 -3.173 1.00 0.00 O ATOM 225 CB LEU A 24 -4.966 10.484 0.134 1.00 0.00 C ATOM 226 CG LEU A 24 -3.963 10.745 1.256 1.00 0.00 C ATOM 227 CD1 LEU A 24 -4.601 11.488 2.413 1.00 0.00 C ATOM 228 CD2 LEU A 24 -3.297 9.469 1.718 1.00 0.00 C ATOM 0 H LEU A 24 -2.917 11.079 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.249 8.645 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.317 11.445 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.830 9.973 0.558 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.183 11.387 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.857 11.656 3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.983 12.447 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.422 10.896 2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.591 9.696 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.054 8.777 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.766 9.013 0.883 1.00 0.00 H new ATOM 240 N GLN A 25 -6.542 8.818 -1.931 1.00 0.00 N ATOM 241 CA GLN A 25 -7.698 8.708 -2.837 1.00 0.00 C ATOM 242 C GLN A 25 -7.299 8.054 -4.165 1.00 0.00 C ATOM 243 O GLN A 25 -8.012 8.147 -5.164 1.00 0.00 O ATOM 244 CB GLN A 25 -8.337 10.091 -3.064 1.00 0.00 C ATOM 245 CG GLN A 25 -8.717 10.805 -1.776 1.00 0.00 C ATOM 246 CD GLN A 25 -9.303 12.175 -2.012 1.00 0.00 C ATOM 247 OE1 GLN A 25 -9.926 12.441 -3.038 1.00 0.00 O ATOM 248 NE2 GLN A 25 -9.128 13.051 -1.066 1.00 0.00 N ATOM 0 H GLN A 25 -6.609 8.212 -1.114 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.441 8.064 -2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.641 10.716 -3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.228 9.973 -3.681 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.438 10.197 -1.229 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.834 10.898 -1.144 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.606 12.798 -0.227 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.513 13.991 -1.163 1.00 0.00 H new ATOM 257 N GLU A 26 -6.188 7.367 -4.141 1.00 0.00 N ATOM 258 CA GLU A 26 -5.646 6.699 -5.296 1.00 0.00 C ATOM 259 C GLU A 26 -5.707 5.196 -5.042 1.00 0.00 C ATOM 260 O GLU A 26 -5.438 4.749 -3.909 1.00 0.00 O ATOM 261 CB GLU A 26 -4.188 7.157 -5.474 1.00 0.00 C ATOM 262 CG GLU A 26 -3.473 6.656 -6.713 1.00 0.00 C ATOM 263 CD GLU A 26 -4.119 7.119 -7.994 1.00 0.00 C ATOM 264 OE1 GLU A 26 -4.651 6.272 -8.740 1.00 0.00 O ATOM 265 OE2 GLU A 26 -4.102 8.344 -8.287 1.00 0.00 O1- ATOM 0 H GLU A 26 -5.622 7.253 -3.300 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.209 6.936 -6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.171 8.247 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.620 6.839 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.438 6.997 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.451 5.566 -6.697 1.00 0.00 H new ATOM 272 N ASP A 27 -6.105 4.436 -6.043 1.00 0.00 N ATOM 273 CA ASP A 27 -6.153 2.982 -5.922 1.00 0.00 C ATOM 274 C ASP A 27 -4.802 2.401 -6.241 1.00 0.00 C ATOM 275 O ASP A 27 -4.140 2.837 -7.176 1.00 0.00 O ATOM 276 CB ASP A 27 -7.212 2.321 -6.834 1.00 0.00 C ATOM 277 CG ASP A 27 -8.644 2.617 -6.469 1.00 0.00 C ATOM 278 OD1 ASP A 27 -9.110 2.183 -5.408 1.00 0.00 O ATOM 279 OD2 ASP A 27 -9.362 3.255 -7.278 1.00 0.00 O1- ATOM 0 H ASP A 27 -6.401 4.795 -6.951 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.439 2.770 -4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.040 2.647 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.064 1.241 -6.813 1.00 0.00 H new ATOM 284 N VAL A 28 -4.380 1.468 -5.450 1.00 0.00 N ATOM 285 CA VAL A 28 -3.110 0.774 -5.612 1.00 0.00 C ATOM 286 C VAL A 28 -3.276 -0.674 -5.202 1.00 0.00 C ATOM 287 O VAL A 28 -4.173 -0.993 -4.404 1.00 0.00 O ATOM 288 CB VAL A 28 -1.985 1.418 -4.757 1.00 0.00 C ATOM 289 CG1 VAL A 28 -1.494 2.699 -5.386 1.00 0.00 C ATOM 290 CG2 VAL A 28 -2.517 1.725 -3.380 1.00 0.00 C ATOM 0 H VAL A 28 -4.915 1.146 -4.643 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.821 0.847 -6.660 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.155 0.714 -4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.707 3.130 -4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.100 2.488 -6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.320 3.405 -5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.729 2.177 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.355 2.417 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.852 0.803 -2.905 1.00 0.00 H new ATOM 300 N PHE A 29 -2.470 -1.555 -5.758 1.00 0.00 N ATOM 301 CA PHE A 29 -2.541 -2.951 -5.367 1.00 0.00 C ATOM 302 C PHE A 29 -1.665 -3.182 -4.154 1.00 0.00 C ATOM 303 O PHE A 29 -0.571 -2.626 -4.078 1.00 0.00 O ATOM 304 CB PHE A 29 -2.121 -3.895 -6.501 1.00 0.00 C ATOM 305 CG PHE A 29 -3.152 -4.085 -7.565 1.00 0.00 C ATOM 306 CD1 PHE A 29 -3.054 -3.438 -8.776 1.00 0.00 C ATOM 307 CD2 PHE A 29 -4.224 -4.930 -7.349 1.00 0.00 C ATOM 308 CE1 PHE A 29 -4.005 -3.623 -9.755 1.00 0.00 C ATOM 309 CE2 PHE A 29 -5.179 -5.116 -8.324 1.00 0.00 C ATOM 310 CZ PHE A 29 -5.066 -4.460 -9.530 1.00 0.00 C ATOM 0 H PHE A 29 -1.771 -1.338 -6.468 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.581 -3.175 -5.128 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.211 -3.508 -6.960 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.874 -4.867 -6.074 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.220 -2.777 -8.961 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.314 -5.450 -6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.914 -3.108 -10.700 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.015 -5.775 -8.143 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.813 -4.605 -10.297 1.00 0.00 H new ATOM 320 N ILE A 30 -2.157 -3.975 -3.211 1.00 0.00 N ATOM 321 CA ILE A 30 -1.447 -4.301 -1.969 1.00 0.00 C ATOM 322 C ILE A 30 -1.296 -5.784 -1.825 1.00 0.00 C ATOM 323 O ILE A 30 -2.264 -6.527 -1.928 1.00 0.00 O ATOM 324 CB ILE A 30 -2.168 -3.754 -0.679 1.00 0.00 C ATOM 325 CG1 ILE A 30 -1.950 -2.268 -0.460 1.00 0.00 C ATOM 326 CG2 ILE A 30 -1.794 -4.531 0.586 1.00 0.00 C ATOM 327 CD1 ILE A 30 -2.487 -1.398 -1.540 1.00 0.00 C ATOM 0 H ILE A 30 -3.073 -4.419 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.475 -3.814 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.230 -3.910 -0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.414 -1.981 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.881 -2.082 -0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.321 -4.109 1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.075 -5.577 0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.719 -4.461 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.286 -0.354 -1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.006 -1.652 -2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.563 -1.550 -1.628 1.00 0.00 H new ATOM 339 N LYS A 31 -0.097 -6.202 -1.615 1.00 0.00 N ATOM 340 CA LYS A 31 0.194 -7.576 -1.371 1.00 0.00 C ATOM 341 C LYS A 31 0.039 -7.901 0.105 1.00 0.00 C ATOM 342 O LYS A 31 0.517 -7.164 0.973 1.00 0.00 O ATOM 343 CB LYS A 31 1.613 -7.908 -1.846 1.00 0.00 C ATOM 344 CG LYS A 31 2.130 -9.269 -1.404 1.00 0.00 C ATOM 345 CD LYS A 31 3.555 -9.507 -1.839 1.00 0.00 C ATOM 346 CE LYS A 31 4.097 -10.808 -1.265 1.00 0.00 C ATOM 347 NZ LYS A 31 5.476 -11.074 -1.703 1.00 0.00 N1+ ATOM 0 H LYS A 31 0.722 -5.593 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.514 -8.186 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.637 -7.862 -2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.293 -7.139 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.066 -9.345 -0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.491 -10.050 -1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.605 -9.538 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.180 -8.675 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.065 -10.765 -0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.454 -11.634 -1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.805 -11.969 -1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.504 -11.142 -2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.095 -10.299 -1.390 1.00 0.00 H new ATOM 361 N CYS A 32 -0.668 -8.948 0.390 1.00 0.00 N ATOM 362 CA CYS A 32 -0.735 -9.453 1.728 1.00 0.00 C ATOM 363 C CYS A 32 0.357 -10.514 1.817 1.00 0.00 C ATOM 364 O CYS A 32 0.837 -10.976 0.774 1.00 0.00 O ATOM 365 CB CYS A 32 -2.113 -10.060 2.009 1.00 0.00 C ATOM 366 SG CYS A 32 -2.421 -10.468 3.747 1.00 0.00 S ATOM 0 H CYS A 32 -1.213 -9.476 -0.292 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.589 -8.665 2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.878 -9.360 1.673 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.225 -10.965 1.412 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.613 -10.971 3.870 1.00 0.00 H new ATOM 372 N ASN A 33 0.733 -10.928 3.011 1.00 0.00 N ATOM 373 CA ASN A 33 1.842 -11.897 3.195 1.00 0.00 C ATOM 374 C ASN A 33 1.550 -13.230 2.487 1.00 0.00 C ATOM 375 O ASN A 33 2.463 -13.962 2.096 1.00 0.00 O ATOM 376 CB ASN A 33 2.109 -12.132 4.688 1.00 0.00 C ATOM 377 CG ASN A 33 3.343 -13.003 4.969 1.00 0.00 C ATOM 378 OD1 ASN A 33 4.324 -13.010 4.205 1.00 0.00 O ATOM 379 ND2 ASN A 33 3.315 -13.722 6.063 1.00 0.00 N ATOM 0 H ASN A 33 0.298 -10.619 3.881 1.00 0.00 H new ATOM 0 HA ASN A 33 2.735 -11.467 2.741 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.237 -11.168 5.181 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.234 -12.604 5.134 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.112 -14.309 6.308 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.496 -13.695 6.670 1.00 0.00 H new ATOM 386 N ASP A 34 0.274 -13.502 2.257 1.00 0.00 N ATOM 387 CA ASP A 34 -0.144 -14.730 1.586 1.00 0.00 C ATOM 388 C ASP A 34 0.180 -14.692 0.072 1.00 0.00 C ATOM 389 O ASP A 34 0.124 -15.702 -0.623 1.00 0.00 O ATOM 390 CB ASP A 34 -1.626 -15.011 1.846 1.00 0.00 C ATOM 391 CG ASP A 34 -2.110 -16.292 1.201 1.00 0.00 C ATOM 392 OD1 ASP A 34 -1.614 -17.384 1.552 1.00 0.00 O ATOM 393 OD2 ASP A 34 -3.000 -16.233 0.355 1.00 0.00 O1- ATOM 0 H ASP A 34 -0.495 -12.888 2.525 1.00 0.00 H new ATOM 0 HA ASP A 34 0.429 -15.556 2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.796 -15.066 2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.219 -14.176 1.472 1.00 0.00 H new ATOM 398 N GLY A 35 0.538 -13.519 -0.425 1.00 0.00 N ATOM 399 CA GLY A 35 0.948 -13.394 -1.813 1.00 0.00 C ATOM 400 C GLY A 35 -0.110 -12.789 -2.694 1.00 0.00 C ATOM 401 O GLY A 35 0.162 -12.411 -3.840 1.00 0.00 O ATOM 0 H GLY A 35 0.553 -12.648 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.848 -12.781 -1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.211 -14.380 -2.197 1.00 0.00 H new ATOM 405 N ARG A 36 -1.303 -12.686 -2.178 1.00 0.00 N ATOM 406 CA ARG A 36 -2.394 -12.115 -2.929 1.00 0.00 C ATOM 407 C ARG A 36 -2.353 -10.605 -2.905 1.00 0.00 C ATOM 408 O ARG A 36 -1.976 -10.000 -1.890 1.00 0.00 O ATOM 409 CB ARG A 36 -3.766 -12.637 -2.464 1.00 0.00 C ATOM 410 CG ARG A 36 -4.172 -13.987 -3.059 1.00 0.00 C ATOM 411 CD ARG A 36 -3.268 -15.139 -2.639 1.00 0.00 C ATOM 412 NE ARG A 36 -3.551 -16.353 -3.418 1.00 0.00 N ATOM 413 CZ ARG A 36 -3.497 -17.612 -2.958 1.00 0.00 C ATOM 414 NH1 ARG A 36 -3.268 -17.854 -1.684 1.00 0.00 N1+ ATOM 415 NH2 ARG A 36 -3.700 -18.623 -3.787 1.00 0.00 N ATOM 0 H ARG A 36 -1.549 -12.991 -1.236 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.262 -12.441 -3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.758 -12.722 -1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.526 -11.899 -2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.196 -14.213 -2.760 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.167 -13.911 -4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.225 -14.853 -2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.407 -15.345 -1.578 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.812 -16.227 -4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.129 -17.080 -1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.229 -18.816 -1.346 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.897 -18.444 -4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.660 -19.582 -3.441 1.00 0.00 H new ATOM 429 N PHE A 37 -2.717 -10.014 -4.018 1.00 0.00 N ATOM 430 CA PHE A 37 -2.798 -8.586 -4.152 1.00 0.00 C ATOM 431 C PHE A 37 -4.226 -8.148 -4.134 1.00 0.00 C ATOM 432 O PHE A 37 -5.073 -8.715 -4.820 1.00 0.00 O ATOM 433 CB PHE A 37 -2.136 -8.087 -5.431 1.00 0.00 C ATOM 434 CG PHE A 37 -0.676 -7.742 -5.303 1.00 0.00 C ATOM 435 CD1 PHE A 37 -0.314 -6.495 -4.862 1.00 0.00 C ATOM 436 CD2 PHE A 37 0.320 -8.634 -5.651 1.00 0.00 C ATOM 437 CE1 PHE A 37 0.993 -6.117 -4.764 1.00 0.00 C ATOM 438 CE2 PHE A 37 1.652 -8.272 -5.550 1.00 0.00 C ATOM 439 CZ PHE A 37 1.990 -7.006 -5.108 1.00 0.00 C ATOM 0 H PHE A 37 -2.968 -10.522 -4.866 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.262 -8.156 -3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.247 -8.851 -6.201 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.673 -7.204 -5.779 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.086 -5.792 -4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.057 -9.620 -6.004 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.246 -5.126 -4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.426 -8.977 -5.816 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.027 -6.715 -5.033 1.00 0.00 H new ATOM 449 N TYR A 38 -4.482 -7.180 -3.325 1.00 0.00 N ATOM 450 CA TYR A 38 -5.782 -6.610 -3.148 1.00 0.00 C ATOM 451 C TYR A 38 -5.735 -5.161 -3.562 1.00 0.00 C ATOM 452 O TYR A 38 -4.837 -4.437 -3.148 1.00 0.00 O ATOM 453 CB TYR A 38 -6.171 -6.703 -1.672 1.00 0.00 C ATOM 454 CG TYR A 38 -6.326 -8.110 -1.146 1.00 0.00 C ATOM 455 CD1 TYR A 38 -7.563 -8.736 -1.129 1.00 0.00 C ATOM 456 CD2 TYR A 38 -5.230 -8.813 -0.664 1.00 0.00 C ATOM 457 CE1 TYR A 38 -7.701 -10.020 -0.647 1.00 0.00 C ATOM 458 CE2 TYR A 38 -5.361 -10.092 -0.185 1.00 0.00 C ATOM 459 CZ TYR A 38 -6.596 -10.691 -0.176 1.00 0.00 C ATOM 460 OH TYR A 38 -6.723 -11.968 0.307 1.00 0.00 O ATOM 0 H TYR A 38 -3.767 -6.743 -2.743 1.00 0.00 H new ATOM 0 HA TYR A 38 -6.514 -7.145 -3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.415 -6.189 -1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.110 -6.169 -1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.431 -8.210 -1.499 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.257 -8.345 -0.666 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.670 -10.496 -0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.497 -10.625 0.183 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.847 -12.296 0.598 1.00 0.00 H new ATOM 470 N LEU A 39 -6.647 -4.752 -4.399 1.00 0.00 N ATOM 471 CA LEU A 39 -6.712 -3.366 -4.817 1.00 0.00 C ATOM 472 C LEU A 39 -7.452 -2.539 -3.760 1.00 0.00 C ATOM 473 O LEU A 39 -8.518 -2.950 -3.259 1.00 0.00 O ATOM 474 CB LEU A 39 -7.388 -3.241 -6.201 1.00 0.00 C ATOM 475 CG LEU A 39 -7.404 -1.839 -6.838 1.00 0.00 C ATOM 476 CD1 LEU A 39 -6.009 -1.318 -6.967 1.00 0.00 C ATOM 477 CD2 LEU A 39 -8.017 -1.877 -8.210 1.00 0.00 C ATOM 0 H LEU A 39 -7.360 -5.354 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.698 -2.977 -4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.885 -3.921 -6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.418 -3.585 -6.109 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.996 -1.191 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.031 -0.326 -7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.551 -1.257 -5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.426 -1.990 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.016 -0.874 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.438 -2.544 -8.849 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.042 -2.240 -8.140 1.00 0.00 H new ATOM 489 N GLY A 40 -6.876 -1.421 -3.392 1.00 0.00 N ATOM 490 CA GLY A 40 -7.488 -0.569 -2.419 1.00 0.00 C ATOM 491 C GLY A 40 -7.164 0.882 -2.654 1.00 0.00 C ATOM 492 O GLY A 40 -6.252 1.200 -3.408 1.00 0.00 O ATOM 0 H GLY A 40 -5.984 -1.085 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.569 -0.708 -2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.153 -0.858 -1.423 1.00 0.00 H new ATOM 496 N THR A 41 -7.887 1.740 -1.993 1.00 0.00 N ATOM 497 CA THR A 41 -7.754 3.163 -2.120 1.00 0.00 C ATOM 498 C THR A 41 -7.021 3.720 -0.875 1.00 0.00 C ATOM 499 O THR A 41 -7.418 3.438 0.259 1.00 0.00 O ATOM 500 CB THR A 41 -9.167 3.776 -2.182 1.00 0.00 C ATOM 501 OG1 THR A 41 -9.981 3.019 -3.106 1.00 0.00 O ATOM 502 CG2 THR A 41 -9.114 5.222 -2.639 1.00 0.00 C ATOM 0 H THR A 41 -8.609 1.459 -1.329 1.00 0.00 H new ATOM 0 HA THR A 41 -7.189 3.410 -3.019 1.00 0.00 H new ATOM 0 HB THR A 41 -9.599 3.741 -1.182 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.435 2.741 -3.871 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.124 5.630 -2.674 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.512 5.803 -1.940 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.667 5.274 -3.632 1.00 0.00 H new ATOM 510 N ILE A 42 -5.962 4.473 -1.081 1.00 0.00 N ATOM 511 CA ILE A 42 -5.189 5.041 0.034 1.00 0.00 C ATOM 512 C ILE A 42 -5.988 6.135 0.744 1.00 0.00 C ATOM 513 O ILE A 42 -6.538 7.021 0.096 1.00 0.00 O ATOM 514 CB ILE A 42 -3.858 5.652 -0.460 1.00 0.00 C ATOM 515 CG1 ILE A 42 -3.145 4.649 -1.341 1.00 0.00 C ATOM 516 CG2 ILE A 42 -2.970 6.020 0.735 1.00 0.00 C ATOM 517 CD1 ILE A 42 -1.868 5.126 -1.915 1.00 0.00 C ATOM 0 H ILE A 42 -5.606 4.714 -2.006 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.979 4.225 0.725 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.067 6.556 -1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.952 3.748 -0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.810 4.365 -2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.035 6.449 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.486 6.748 1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.757 5.125 1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.430 4.341 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.052 6.008 -2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.180 5.381 -1.109 1.00 0.00 H new ATOM 529 N ILE A 43 -6.053 6.064 2.055 1.00 0.00 N ATOM 530 CA ILE A 43 -6.758 7.069 2.841 1.00 0.00 C ATOM 531 C ILE A 43 -5.805 7.914 3.663 1.00 0.00 C ATOM 532 O ILE A 43 -6.093 9.074 3.958 1.00 0.00 O ATOM 533 CB ILE A 43 -7.834 6.505 3.803 1.00 0.00 C ATOM 534 CG1 ILE A 43 -7.282 5.386 4.671 1.00 0.00 C ATOM 535 CG2 ILE A 43 -9.093 6.063 3.067 1.00 0.00 C ATOM 536 CD1 ILE A 43 -7.342 4.041 4.061 1.00 0.00 C ATOM 0 H ILE A 43 -5.626 5.320 2.607 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.264 7.670 2.085 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.120 7.325 4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.244 5.613 4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.834 5.368 5.611 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.817 5.675 3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.524 6.914 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.840 5.283 2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.926 3.309 4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.379 3.786 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.765 4.035 3.136 1.00 0.00 H new ATOM 548 N ASP A 44 -4.675 7.345 4.058 1.00 0.00 N ATOM 549 CA ASP A 44 -3.729 8.088 4.859 1.00 0.00 C ATOM 550 C ASP A 44 -2.347 7.565 4.601 1.00 0.00 C ATOM 551 O ASP A 44 -2.199 6.430 4.162 1.00 0.00 O ATOM 552 CB ASP A 44 -4.054 7.968 6.340 1.00 0.00 C ATOM 553 CG ASP A 44 -3.309 8.973 7.169 1.00 0.00 C ATOM 554 OD1 ASP A 44 -3.332 10.167 6.824 1.00 0.00 O ATOM 555 OD2 ASP A 44 -2.746 8.611 8.195 1.00 0.00 O1- ATOM 0 H ASP A 44 -4.399 6.388 3.839 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.788 9.141 4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.126 8.102 6.487 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.808 6.963 6.684 1.00 0.00 H new ATOM 560 N GLN A 45 -1.354 8.365 4.842 1.00 0.00 N ATOM 561 CA GLN A 45 0.003 7.949 4.637 1.00 0.00 C ATOM 562 C GLN A 45 0.883 8.370 5.785 1.00 0.00 C ATOM 563 O GLN A 45 0.603 9.373 6.471 1.00 0.00 O ATOM 564 CB GLN A 45 0.579 8.535 3.353 1.00 0.00 C ATOM 565 CG GLN A 45 0.606 10.058 3.286 1.00 0.00 C ATOM 566 CD GLN A 45 1.511 10.577 2.184 1.00 0.00 C ATOM 567 OE1 GLN A 45 1.716 9.934 1.167 1.00 0.00 O ATOM 568 NE2 GLN A 45 2.070 11.736 2.387 1.00 0.00 N ATOM 0 H GLN A 45 -1.458 9.320 5.185 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.015 6.861 4.566 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.596 8.164 3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.002 8.161 2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.406 10.429 3.125 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.942 10.454 4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.880 12.250 3.247 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.698 12.129 1.686 1.00 0.00 H new ATOM 577 N THR A 46 1.886 7.594 6.019 1.00 0.00 N ATOM 578 CA THR A 46 2.952 7.932 6.898 1.00 0.00 C ATOM 579 C THR A 46 4.209 7.789 6.049 1.00 0.00 C ATOM 580 O THR A 46 4.107 7.448 4.861 1.00 0.00 O ATOM 581 CB THR A 46 3.023 6.986 8.141 1.00 0.00 C ATOM 582 OG1 THR A 46 3.168 5.629 7.742 1.00 0.00 O ATOM 583 CG2 THR A 46 1.797 7.118 9.029 1.00 0.00 C ATOM 0 H THR A 46 1.989 6.675 5.588 1.00 0.00 H new ATOM 0 HA THR A 46 2.822 8.935 7.305 1.00 0.00 H new ATOM 0 HB THR A 46 3.898 7.292 8.714 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.681 5.142 8.420 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.889 6.443 9.880 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.716 8.144 9.387 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.905 6.862 8.458 1.00 0.00 H new ATOM 591 N SER A 47 5.357 8.047 6.588 1.00 0.00 N ATOM 592 CA SER A 47 6.567 7.876 5.821 1.00 0.00 C ATOM 593 C SER A 47 6.963 6.393 5.716 1.00 0.00 C ATOM 594 O SER A 47 7.784 6.018 4.873 1.00 0.00 O ATOM 595 CB SER A 47 7.681 8.693 6.438 1.00 0.00 C ATOM 596 OG SER A 47 7.272 10.050 6.577 1.00 0.00 O ATOM 0 H SER A 47 5.491 8.374 7.545 1.00 0.00 H new ATOM 0 HA SER A 47 6.386 8.232 4.807 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.946 8.283 7.413 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.573 8.636 5.814 1.00 0.00 H new ATOM 0 HG SER A 47 7.998 10.571 6.979 1.00 0.00 H new ATOM 602 N ASP A 48 6.375 5.554 6.559 1.00 0.00 N ATOM 603 CA ASP A 48 6.730 4.137 6.580 1.00 0.00 C ATOM 604 C ASP A 48 5.644 3.260 6.005 1.00 0.00 C ATOM 605 O ASP A 48 5.937 2.202 5.468 1.00 0.00 O ATOM 606 CB ASP A 48 7.053 3.649 8.004 1.00 0.00 C ATOM 607 CG ASP A 48 5.842 3.597 8.927 1.00 0.00 C ATOM 608 OD1 ASP A 48 5.178 4.643 9.130 1.00 0.00 O ATOM 609 OD2 ASP A 48 5.559 2.529 9.492 1.00 0.00 O1- ATOM 0 H ASP A 48 5.657 5.824 7.232 1.00 0.00 H new ATOM 0 HA ASP A 48 7.619 4.052 5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.496 2.655 7.945 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.804 4.307 8.442 1.00 0.00 H new ATOM 614 N GLN A 49 4.404 3.682 6.110 1.00 0.00 N ATOM 615 CA GLN A 49 3.285 2.868 5.693 1.00 0.00 C ATOM 616 C GLN A 49 2.206 3.710 5.066 1.00 0.00 C ATOM 617 O GLN A 49 2.204 4.936 5.170 1.00 0.00 O ATOM 618 CB GLN A 49 2.711 2.081 6.887 1.00 0.00 C ATOM 619 CG GLN A 49 3.648 0.995 7.411 1.00 0.00 C ATOM 620 CD GLN A 49 3.134 0.285 8.639 1.00 0.00 C ATOM 621 OE1 GLN A 49 2.436 -0.728 8.554 1.00 0.00 O ATOM 622 NE2 GLN A 49 3.523 0.765 9.778 1.00 0.00 N ATOM 0 H GLN A 49 4.144 4.594 6.485 1.00 0.00 H new ATOM 0 HA GLN A 49 3.648 2.162 4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.487 2.777 7.696 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.768 1.623 6.590 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.815 0.261 6.622 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.615 1.443 7.640 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.100 1.606 9.807 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.252 0.302 10.646 1.00 0.00 H new ATOM 631 N TYR A 50 1.322 3.059 4.390 1.00 0.00 N ATOM 632 CA TYR A 50 0.204 3.696 3.766 1.00 0.00 C ATOM 633 C TYR A 50 -1.058 2.997 4.201 1.00 0.00 C ATOM 634 O TYR A 50 -1.123 1.763 4.197 1.00 0.00 O ATOM 635 CB TYR A 50 0.364 3.686 2.234 1.00 0.00 C ATOM 636 CG TYR A 50 1.519 4.549 1.751 1.00 0.00 C ATOM 637 CD1 TYR A 50 2.851 4.090 1.742 1.00 0.00 C ATOM 638 CD2 TYR A 50 1.282 5.846 1.357 1.00 0.00 C ATOM 639 CE1 TYR A 50 3.881 4.917 1.365 1.00 0.00 C ATOM 640 CE2 TYR A 50 2.313 6.673 0.966 1.00 0.00 C ATOM 641 CZ TYR A 50 3.612 6.204 0.981 1.00 0.00 C ATOM 642 OH TYR A 50 4.650 7.032 0.615 1.00 0.00 O ATOM 0 H TYR A 50 1.353 2.049 4.251 1.00 0.00 H new ATOM 0 HA TYR A 50 0.149 4.740 4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.518 2.661 1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.561 4.037 1.775 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.065 3.073 2.036 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.270 6.223 1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.898 4.554 1.371 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.106 7.684 0.649 1.00 0.00 H new ATOM 0 HH TYR A 50 5.498 6.546 0.688 1.00 0.00 H new ATOM 652 N LEU A 51 -2.028 3.768 4.625 1.00 0.00 N ATOM 653 CA LEU A 51 -3.279 3.235 5.092 1.00 0.00 C ATOM 654 C LEU A 51 -4.133 3.039 3.896 1.00 0.00 C ATOM 655 O LEU A 51 -4.445 4.008 3.181 1.00 0.00 O ATOM 656 CB LEU A 51 -3.971 4.196 6.071 1.00 0.00 C ATOM 657 CG LEU A 51 -5.208 3.655 6.794 1.00 0.00 C ATOM 658 CD1 LEU A 51 -4.885 2.420 7.592 1.00 0.00 C ATOM 659 CD2 LEU A 51 -5.824 4.716 7.685 1.00 0.00 C ATOM 0 H LEU A 51 -1.970 4.786 4.655 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.110 2.300 5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.243 4.502 6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.260 5.093 5.523 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.936 3.380 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.786 2.064 8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.509 1.644 6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.126 2.657 8.338 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.701 4.306 8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.095 5.033 8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.120 5.573 7.079 1.00 0.00 H new ATOM 671 N ILE A 52 -4.444 1.820 3.612 1.00 0.00 N ATOM 672 CA ILE A 52 -5.206 1.502 2.438 1.00 0.00 C ATOM 673 C ILE A 52 -6.579 1.015 2.819 1.00 0.00 C ATOM 674 O ILE A 52 -6.704 0.163 3.690 1.00 0.00 O ATOM 675 CB ILE A 52 -4.503 0.412 1.600 1.00 0.00 C ATOM 676 CG1 ILE A 52 -3.007 0.724 1.466 1.00 0.00 C ATOM 677 CG2 ILE A 52 -5.145 0.300 0.223 1.00 0.00 C ATOM 678 CD1 ILE A 52 -2.719 2.051 0.817 1.00 0.00 C ATOM 0 H ILE A 52 -4.182 1.014 4.180 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.290 2.412 1.843 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.616 -0.543 2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.552 0.708 2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.531 -0.065 0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.637 -0.473 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.197 0.038 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.061 1.255 -0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.641 2.201 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.143 2.065 -0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.164 2.850 1.410 1.00 0.00 H new ATOM 690 N ARG A 53 -7.595 1.569 2.195 1.00 0.00 N ATOM 691 CA ARG A 53 -8.921 1.098 2.381 1.00 0.00 C ATOM 692 C ARG A 53 -9.249 0.293 1.174 1.00 0.00 C ATOM 693 O ARG A 53 -9.328 0.814 0.070 1.00 0.00 O ATOM 694 CB ARG A 53 -9.928 2.241 2.562 1.00 0.00 C ATOM 695 CG ARG A 53 -11.359 1.770 2.760 1.00 0.00 C ATOM 696 CD ARG A 53 -12.221 2.890 3.280 1.00 0.00 C ATOM 697 NE ARG A 53 -13.626 2.514 3.414 1.00 0.00 N ATOM 698 CZ ARG A 53 -14.359 2.638 4.535 1.00 0.00 C ATOM 699 NH1 ARG A 53 -13.793 2.960 5.701 1.00 0.00 N1+ ATOM 700 NH2 ARG A 53 -15.668 2.415 4.484 1.00 0.00 N ATOM 0 H ARG A 53 -7.511 2.355 1.550 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.984 0.505 3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.631 2.842 3.421 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.887 2.891 1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.761 1.404 1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.379 0.934 3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.843 3.212 4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.142 3.744 2.608 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.088 2.126 2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.787 3.117 5.753 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.367 3.049 6.539 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.107 2.153 3.601 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.234 2.506 5.328 1.00 0.00 H new ATOM 714 N PHE A 54 -9.438 -0.949 1.377 1.00 0.00 N ATOM 715 CA PHE A 54 -9.641 -1.867 0.306 1.00 0.00 C ATOM 716 C PHE A 54 -11.026 -1.806 -0.230 1.00 0.00 C ATOM 717 O PHE A 54 -11.877 -1.072 0.279 1.00 0.00 O ATOM 718 CB PHE A 54 -9.299 -3.276 0.756 1.00 0.00 C ATOM 719 CG PHE A 54 -7.857 -3.412 1.088 1.00 0.00 C ATOM 720 CD1 PHE A 54 -6.968 -3.766 0.112 1.00 0.00 C ATOM 721 CD2 PHE A 54 -7.385 -3.154 2.363 1.00 0.00 C ATOM 722 CE1 PHE A 54 -5.635 -3.863 0.383 1.00 0.00 C ATOM 723 CE2 PHE A 54 -6.045 -3.253 2.645 1.00 0.00 C ATOM 724 CZ PHE A 54 -5.164 -3.608 1.649 1.00 0.00 C ATOM 0 H PHE A 54 -9.458 -1.375 2.303 1.00 0.00 H new ATOM 0 HA PHE A 54 -8.974 -1.580 -0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -9.899 -3.535 1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.559 -3.983 -0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.326 -3.971 -0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.077 -2.872 3.143 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.946 -4.141 -0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.684 -3.053 3.643 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.108 -3.686 1.861 1.00 0.00 H new ATOM 734 N ASP A 55 -11.254 -2.586 -1.245 1.00 0.00 N ATOM 735 CA ASP A 55 -12.558 -2.711 -1.869 1.00 0.00 C ATOM 736 C ASP A 55 -13.570 -3.246 -0.844 1.00 0.00 C ATOM 737 O ASP A 55 -14.720 -2.843 -0.819 1.00 0.00 O ATOM 738 CB ASP A 55 -12.430 -3.633 -3.081 1.00 0.00 C ATOM 739 CG ASP A 55 -13.710 -3.854 -3.835 1.00 0.00 C ATOM 740 OD1 ASP A 55 -14.436 -4.826 -3.516 1.00 0.00 O ATOM 741 OD2 ASP A 55 -13.980 -3.111 -4.799 1.00 0.00 O1- ATOM 0 H ASP A 55 -10.535 -3.166 -1.677 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.921 -1.741 -2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.689 -3.215 -3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.048 -4.598 -2.748 1.00 0.00 H new ATOM 746 N ASP A 56 -13.058 -4.052 0.078 1.00 0.00 N ATOM 747 CA ASP A 56 -13.838 -4.650 1.181 1.00 0.00 C ATOM 748 C ASP A 56 -13.923 -3.650 2.364 1.00 0.00 C ATOM 749 O ASP A 56 -14.354 -3.972 3.459 1.00 0.00 O ATOM 750 CB ASP A 56 -13.143 -5.970 1.600 1.00 0.00 C ATOM 751 CG ASP A 56 -13.783 -6.705 2.765 1.00 0.00 C ATOM 752 OD1 ASP A 56 -14.768 -7.438 2.564 1.00 0.00 O ATOM 753 OD2 ASP A 56 -13.257 -6.622 3.886 1.00 0.00 O1- ATOM 0 H ASP A 56 -12.074 -4.320 0.090 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.858 -4.869 0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.122 -6.638 0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.107 -5.749 1.857 1.00 0.00 H new ATOM 758 N GLN A 57 -13.468 -2.424 2.105 1.00 0.00 N ATOM 759 CA GLN A 57 -13.545 -1.268 3.025 1.00 0.00 C ATOM 760 C GLN A 57 -12.669 -1.417 4.275 1.00 0.00 C ATOM 761 O GLN A 57 -12.712 -0.570 5.165 1.00 0.00 O ATOM 762 CB GLN A 57 -14.998 -0.990 3.428 1.00 0.00 C ATOM 763 CG GLN A 57 -15.945 -0.719 2.263 1.00 0.00 C ATOM 764 CD GLN A 57 -15.523 0.458 1.418 1.00 0.00 C ATOM 765 OE1 GLN A 57 -15.859 1.600 1.720 1.00 0.00 O ATOM 766 NE2 GLN A 57 -14.855 0.199 0.332 1.00 0.00 N ATOM 0 H GLN A 57 -13.018 -2.191 1.220 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.149 -0.418 2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.373 -1.844 3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -15.016 -0.132 4.100 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -16.002 -1.608 1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -16.947 -0.539 2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.592 -0.762 0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.594 0.957 -0.299 1.00 0.00 H new ATOM 775 N SER A 58 -11.851 -2.447 4.320 1.00 0.00 N ATOM 776 CA SER A 58 -10.927 -2.613 5.420 1.00 0.00 C ATOM 777 C SER A 58 -9.769 -1.643 5.242 1.00 0.00 C ATOM 778 O SER A 58 -9.367 -1.369 4.113 1.00 0.00 O ATOM 779 CB SER A 58 -10.406 -4.050 5.468 1.00 0.00 C ATOM 780 OG SER A 58 -11.468 -4.979 5.632 1.00 0.00 O ATOM 0 H SER A 58 -11.807 -3.179 3.611 1.00 0.00 H new ATOM 0 HA SER A 58 -11.441 -2.405 6.359 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.863 -4.273 4.549 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.698 -4.155 6.290 1.00 0.00 H new ATOM 0 HG SER A 58 -11.755 -5.306 4.754 1.00 0.00 H new ATOM 786 N GLU A 59 -9.271 -1.119 6.328 1.00 0.00 N ATOM 787 CA GLU A 59 -8.167 -0.194 6.312 1.00 0.00 C ATOM 788 C GLU A 59 -6.980 -0.829 7.001 1.00 0.00 C ATOM 789 O GLU A 59 -7.095 -1.317 8.130 1.00 0.00 O ATOM 790 CB GLU A 59 -8.564 1.098 7.001 1.00 0.00 C ATOM 791 CG GLU A 59 -9.557 1.913 6.203 1.00 0.00 C ATOM 792 CD GLU A 59 -10.181 3.033 6.981 1.00 0.00 C ATOM 793 OE1 GLU A 59 -9.461 3.874 7.545 1.00 0.00 O ATOM 794 OE2 GLU A 59 -11.427 3.100 7.020 1.00 0.00 O1- ATOM 0 H GLU A 59 -9.624 -1.324 7.263 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.895 0.041 5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.993 0.866 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.671 1.697 7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.055 2.326 5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.344 1.254 5.837 1.00 0.00 H new ATOM 801 N GLN A 60 -5.870 -0.851 6.327 1.00 0.00 N ATOM 802 CA GLN A 60 -4.671 -1.494 6.829 1.00 0.00 C ATOM 803 C GLN A 60 -3.454 -0.655 6.475 1.00 0.00 C ATOM 804 O GLN A 60 -3.416 -0.048 5.400 1.00 0.00 O ATOM 805 CB GLN A 60 -4.551 -2.892 6.192 1.00 0.00 C ATOM 806 CG GLN A 60 -3.324 -3.691 6.606 1.00 0.00 C ATOM 807 CD GLN A 60 -3.248 -5.055 5.935 1.00 0.00 C ATOM 808 OE1 GLN A 60 -3.730 -5.252 4.819 1.00 0.00 O ATOM 809 NE2 GLN A 60 -2.633 -5.996 6.594 1.00 0.00 N ATOM 0 H GLN A 60 -5.759 -0.424 5.407 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.728 -1.590 7.913 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.442 -3.467 6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.543 -2.780 5.108 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.427 -3.122 6.362 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.332 -3.824 7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.244 -5.802 7.517 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.540 -6.927 6.187 1.00 0.00 H new ATOM 818 N TRP A 61 -2.471 -0.626 7.353 1.00 0.00 N ATOM 819 CA TRP A 61 -1.237 0.076 7.088 1.00 0.00 C ATOM 820 C TRP A 61 -0.311 -0.874 6.413 1.00 0.00 C ATOM 821 O TRP A 61 0.140 -1.858 7.003 1.00 0.00 O ATOM 822 CB TRP A 61 -0.587 0.618 8.373 1.00 0.00 C ATOM 823 CG TRP A 61 -1.282 1.792 8.954 1.00 0.00 C ATOM 824 CD1 TRP A 61 -2.129 1.806 10.013 1.00 0.00 C ATOM 825 CD2 TRP A 61 -1.187 3.136 8.492 1.00 0.00 C ATOM 826 NE1 TRP A 61 -2.573 3.083 10.232 1.00 0.00 N ATOM 827 CE2 TRP A 61 -2.009 3.917 9.306 1.00 0.00 C ATOM 828 CE3 TRP A 61 -0.489 3.747 7.464 1.00 0.00 C ATOM 829 CZ2 TRP A 61 -2.151 5.290 9.117 1.00 0.00 C ATOM 830 CZ3 TRP A 61 -0.630 5.099 7.274 1.00 0.00 C ATOM 831 CH2 TRP A 61 -1.450 5.854 8.089 1.00 0.00 C ATOM 0 H TRP A 61 -2.507 -1.086 8.263 1.00 0.00 H new ATOM 0 HA TRP A 61 -1.449 0.939 6.457 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -0.558 -0.178 9.117 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.446 0.891 8.158 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.411 0.941 10.595 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.220 3.367 10.968 1.00 0.00 H new ATOM 0 HE3 TRP A 61 0.157 3.168 6.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.788 5.883 9.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.090 5.581 6.473 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.539 6.915 7.910 1.00 0.00 H new ATOM 842 N CYS A 62 -0.081 -0.621 5.178 1.00 0.00 N ATOM 843 CA CYS A 62 0.723 -1.465 4.373 1.00 0.00 C ATOM 844 C CYS A 62 2.006 -0.752 4.034 1.00 0.00 C ATOM 845 O CYS A 62 1.999 0.453 3.769 1.00 0.00 O ATOM 846 CB CYS A 62 -0.050 -1.809 3.113 1.00 0.00 C ATOM 847 SG CYS A 62 -1.699 -2.470 3.446 1.00 0.00 S ATOM 0 H CYS A 62 -0.453 0.193 4.688 1.00 0.00 H new ATOM 0 HA CYS A 62 0.969 -2.384 4.904 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.142 -0.915 2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.517 -2.539 2.535 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.364 -1.629 4.181 1.00 0.00 H new ATOM 853 N GLU A 63 3.088 -1.473 4.069 1.00 0.00 N ATOM 854 CA GLU A 63 4.385 -0.935 3.760 1.00 0.00 C ATOM 855 C GLU A 63 4.508 -0.663 2.265 1.00 0.00 C ATOM 856 O GLU A 63 3.821 -1.302 1.461 1.00 0.00 O ATOM 857 CB GLU A 63 5.439 -1.882 4.291 1.00 0.00 C ATOM 858 CG GLU A 63 5.506 -1.836 5.798 1.00 0.00 C ATOM 859 CD GLU A 63 6.084 -3.067 6.401 1.00 0.00 C ATOM 860 OE1 GLU A 63 7.296 -3.298 6.287 1.00 0.00 O ATOM 861 OE2 GLU A 63 5.322 -3.835 7.032 1.00 0.00 O1- ATOM 0 H GLU A 63 3.097 -2.463 4.315 1.00 0.00 H new ATOM 0 HA GLU A 63 4.532 0.029 4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.216 -2.898 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.411 -1.620 3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.103 -0.976 6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.502 -1.683 6.195 1.00 0.00 H new ATOM 868 N PRO A 64 5.381 0.286 1.865 1.00 0.00 N ATOM 869 CA PRO A 64 5.481 0.749 0.477 1.00 0.00 C ATOM 870 C PRO A 64 5.867 -0.338 -0.531 1.00 0.00 C ATOM 871 O PRO A 64 5.637 -0.185 -1.730 1.00 0.00 O ATOM 872 CB PRO A 64 6.520 1.875 0.540 1.00 0.00 C ATOM 873 CG PRO A 64 7.310 1.602 1.765 1.00 0.00 C ATOM 874 CD PRO A 64 6.352 0.983 2.738 1.00 0.00 C ATOM 0 HA PRO A 64 4.510 1.077 0.106 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.154 1.876 -0.346 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.040 2.852 0.590 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.141 0.930 1.553 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.738 2.520 2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.855 0.290 3.413 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.866 1.736 3.359 1.00 0.00 H new ATOM 882 N ASP A 65 6.419 -1.435 -0.036 1.00 0.00 N ATOM 883 CA ASP A 65 6.801 -2.566 -0.883 1.00 0.00 C ATOM 884 C ASP A 65 5.560 -3.337 -1.345 1.00 0.00 C ATOM 885 O ASP A 65 5.576 -4.010 -2.375 1.00 0.00 O ATOM 886 CB ASP A 65 7.753 -3.526 -0.144 1.00 0.00 C ATOM 887 CG ASP A 65 7.076 -4.380 0.925 1.00 0.00 C ATOM 888 OD1 ASP A 65 6.932 -5.611 0.730 1.00 0.00 O ATOM 889 OD2 ASP A 65 6.676 -3.850 1.968 1.00 0.00 O1- ATOM 0 H ASP A 65 6.616 -1.571 0.956 1.00 0.00 H new ATOM 0 HA ASP A 65 7.321 -2.160 -1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.225 -4.184 -0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.548 -2.944 0.322 1.00 0.00 H new ATOM 894 N LYS A 66 4.479 -3.210 -0.583 1.00 0.00 N ATOM 895 CA LYS A 66 3.247 -3.944 -0.857 1.00 0.00 C ATOM 896 C LYS A 66 2.399 -3.234 -1.862 1.00 0.00 C ATOM 897 O LYS A 66 1.498 -3.823 -2.428 1.00 0.00 O ATOM 898 CB LYS A 66 2.417 -4.127 0.417 1.00 0.00 C ATOM 899 CG LYS A 66 3.102 -4.888 1.512 1.00 0.00 C ATOM 900 CD LYS A 66 3.501 -6.263 1.044 1.00 0.00 C ATOM 901 CE LYS A 66 4.109 -7.039 2.162 1.00 0.00 C ATOM 902 NZ LYS A 66 5.255 -6.326 2.743 1.00 0.00 N1+ ATOM 0 H LYS A 66 4.431 -2.602 0.234 1.00 0.00 H new ATOM 0 HA LYS A 66 3.548 -4.915 -1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.139 -3.144 0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.492 -4.643 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.985 -4.342 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.438 -4.971 2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.628 -6.790 0.660 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.211 -6.182 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.360 -7.218 2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.431 -8.015 1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.658 -6.890 3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.979 -6.177 2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.941 -5.406 3.111 1.00 0.00 H new ATOM 916 N LEU A 67 2.707 -1.996 -2.087 1.00 0.00 N ATOM 917 CA LEU A 67 1.914 -1.141 -2.917 1.00 0.00 C ATOM 918 C LEU A 67 2.495 -1.067 -4.275 1.00 0.00 C ATOM 919 O LEU A 67 3.707 -0.892 -4.429 1.00 0.00 O ATOM 920 CB LEU A 67 1.889 0.241 -2.312 1.00 0.00 C ATOM 921 CG LEU A 67 1.184 0.366 -0.986 1.00 0.00 C ATOM 922 CD1 LEU A 67 1.974 1.204 -0.052 1.00 0.00 C ATOM 923 CD2 LEU A 67 -0.122 1.002 -1.186 1.00 0.00 C ATOM 0 H LEU A 67 3.531 -1.542 -1.693 1.00 0.00 H new ATOM 0 HA LEU A 67 0.903 -1.542 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.917 0.581 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.412 0.918 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 67 1.064 -0.632 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.449 1.282 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.951 0.747 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.104 2.199 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.633 1.093 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.018 1.993 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.723 0.394 -1.861 1.00 0.00 H new ATOM 935 N ARG A 68 1.664 -1.205 -5.260 1.00 0.00 N ATOM 936 CA ARG A 68 2.087 -1.095 -6.623 1.00 0.00 C ATOM 937 C ARG A 68 1.197 -0.079 -7.308 1.00 0.00 C ATOM 938 O ARG A 68 -0.017 -0.037 -7.043 1.00 0.00 O ATOM 939 CB ARG A 68 2.010 -2.450 -7.349 1.00 0.00 C ATOM 940 CG ARG A 68 2.705 -3.624 -6.633 1.00 0.00 C ATOM 941 CD ARG A 68 4.157 -3.339 -6.249 1.00 0.00 C ATOM 942 NE ARG A 68 5.010 -2.910 -7.362 1.00 0.00 N ATOM 943 CZ ARG A 68 5.827 -1.835 -7.312 1.00 0.00 C ATOM 944 NH1 ARG A 68 5.716 -0.954 -6.309 1.00 0.00 N1+ ATOM 945 NH2 ARG A 68 6.725 -1.626 -8.267 1.00 0.00 N ATOM 0 H ARG A 68 0.669 -1.398 -5.142 1.00 0.00 H new ATOM 0 HA ARG A 68 3.129 -0.775 -6.655 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.960 -2.706 -7.495 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.451 -2.338 -8.339 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.143 -3.873 -5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.675 -4.501 -7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.171 -2.567 -5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.585 -4.238 -5.806 1.00 0.00 H new ATOM 0 HE ARG A 68 4.985 -3.455 -8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.014 -1.094 -5.582 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.333 -0.143 -6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.802 -2.279 -9.046 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.338 -0.812 -8.221 1.00 0.00 H new ATOM 959 N LYS A 69 1.783 0.732 -8.158 1.00 0.00 N ATOM 960 CA LYS A 69 1.070 1.792 -8.849 1.00 0.00 C ATOM 961 C LYS A 69 0.223 1.196 -9.974 1.00 0.00 C ATOM 962 O LYS A 69 0.607 0.179 -10.573 1.00 0.00 O ATOM 963 CB LYS A 69 2.050 2.836 -9.431 1.00 0.00 C ATOM 964 CG LYS A 69 2.841 3.685 -8.423 1.00 0.00 C ATOM 965 CD LYS A 69 3.905 2.886 -7.676 1.00 0.00 C ATOM 966 CE LYS A 69 4.817 3.779 -6.843 1.00 0.00 C ATOM 967 NZ LYS A 69 5.597 4.708 -7.668 1.00 0.00 N1+ ATOM 0 H LYS A 69 2.774 0.678 -8.394 1.00 0.00 H new ATOM 0 HA LYS A 69 0.424 2.294 -8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.764 2.313 -10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.484 3.511 -10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.318 4.512 -8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.150 4.121 -7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.420 2.158 -7.026 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.505 2.324 -8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.215 4.346 -6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.496 3.157 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.392 5.082 -7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.963 4.207 -8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.989 5.494 -7.975 1.00 0.00 H new ATOM 981 N LEU A 70 -0.919 1.799 -10.260 1.00 0.00 N ATOM 982 CA LEU A 70 -1.790 1.280 -11.306 1.00 0.00 C ATOM 983 C LEU A 70 -1.360 1.737 -12.689 1.00 0.00 C ATOM 984 O LEU A 70 -1.516 1.005 -13.662 1.00 0.00 O ATOM 985 CB LEU A 70 -3.253 1.659 -11.081 1.00 0.00 C ATOM 986 CG LEU A 70 -3.894 1.195 -9.780 1.00 0.00 C ATOM 987 CD1 LEU A 70 -5.363 1.472 -9.782 1.00 0.00 C ATOM 988 CD2 LEU A 70 -3.651 -0.256 -9.525 1.00 0.00 C ATOM 0 H LEU A 70 -1.263 2.637 -9.791 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.698 0.195 -11.252 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.333 2.745 -11.130 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.838 1.259 -11.909 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.425 1.761 -8.975 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.799 1.132 -8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.531 2.543 -9.893 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.832 0.943 -10.612 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.125 -0.545 -8.587 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.071 -0.844 -10.341 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.578 -0.440 -9.461 1.00 0.00 H new