USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 654 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 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 GLN : amide:sc= -0.291 X(o=-0.29,f=0) USER MOD Set 2.1: A 25 HIS : no HE2:sc= -8.61! C(o=-9.8!,f=-12!) USER MOD Set 2.2: A 69 SER OG : rot 180:sc= -1.15 USER MOD Single : A 10 TYR OH : rot 116:sc= -0.774 USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.0238 (180deg=-0.272) USER MOD Single : A 12 CYS SG : rot 19:sc= 0.169 USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0017) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -101:sc= -1.75! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -140:sc= -0.0193 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -4.5! C(o=-5.3!,f=-4.5!) USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= -0.0228 (180deg=-0.655) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -160:sc= -1.39 USER MOD Single : A 53 HIS : no HD1:sc= -0.0445 X(o=-0.044,f=-0.2) USER MOD Single : A 55 THR OG1 : rot -26:sc= 1.26 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0259 USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= -0.427 (180deg=-0.522) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.012 F(o=-2.1!,f=-0.012) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -2.29 F(o=-5.6!,f=-2.3) USER MOD Single : A 92 ASN :FLIP amide:sc= -0.93! F(o=-1.9,f=-0.93!) USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 10 -5.834 5.615 10.190 1.00 0.00 N ATOM 157 CA TYR A 10 -5.490 5.724 8.782 1.00 0.00 C ATOM 158 C TYR A 10 -6.747 5.760 7.911 1.00 0.00 C ATOM 159 O TYR A 10 -7.704 5.030 8.167 1.00 0.00 O ATOM 160 CB TYR A 10 -4.686 4.467 8.446 1.00 0.00 C ATOM 161 CG TYR A 10 -5.548 3.236 8.158 1.00 0.00 C ATOM 162 CD1 TYR A 10 -6.281 2.654 9.173 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.593 2.708 6.885 1.00 0.00 C ATOM 164 CE1 TYR A 10 -7.092 1.495 8.902 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.404 1.549 6.613 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.113 0.999 7.636 1.00 0.00 C ATOM 167 OH TYR A 10 -7.879 -0.094 7.380 1.00 0.00 O ATOM 0 HA TYR A 10 -4.931 6.641 8.593 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.059 4.670 7.578 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.017 4.243 9.277 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.246 3.068 10.170 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.020 3.164 6.091 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.671 1.030 9.687 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.448 1.126 5.620 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.594 0.147 6.755 1.00 0.00 H new ATOM 177 N LYS A 11 -6.704 6.616 6.901 1.00 0.00 N ATOM 178 CA LYS A 11 -7.828 6.756 5.991 1.00 0.00 C ATOM 179 C LYS A 11 -7.310 6.824 4.553 1.00 0.00 C ATOM 180 O LYS A 11 -6.103 6.756 4.321 1.00 0.00 O ATOM 181 CB LYS A 11 -8.695 7.953 6.390 1.00 0.00 C ATOM 182 CG LYS A 11 -9.912 7.502 7.200 1.00 0.00 C ATOM 183 CD LYS A 11 -10.928 6.783 6.310 1.00 0.00 C ATOM 184 CE LYS A 11 -11.652 7.774 5.394 1.00 0.00 C ATOM 185 NZ LYS A 11 -12.562 8.636 6.178 1.00 0.00 N ATOM 0 H LYS A 11 -5.909 7.220 6.693 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.480 5.885 6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.103 8.656 6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.024 8.482 5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.593 6.838 8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.382 8.367 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.420 6.029 5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.654 6.259 6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.923 8.390 4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.218 7.231 4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.266 9.065 5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.048 8.064 6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.013 9.386 6.645 1.00 0.00 H new ATOM 199 N CYS A 12 -8.246 6.958 3.626 1.00 0.00 N ATOM 200 CA CYS A 12 -7.898 7.037 2.217 1.00 0.00 C ATOM 201 C CYS A 12 -6.652 7.911 2.078 1.00 0.00 C ATOM 202 O CYS A 12 -6.473 8.869 2.831 1.00 0.00 O ATOM 203 CB CYS A 12 -9.063 7.564 1.376 1.00 0.00 C ATOM 204 SG CYS A 12 -9.419 9.303 1.820 1.00 0.00 S ATOM 0 H CYS A 12 -9.245 7.014 3.822 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.683 6.039 1.836 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.818 7.493 0.316 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.948 6.950 1.540 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.388 9.816 2.424 1.00 0.00 H new ATOM 210 N GLY A 13 -5.821 7.553 1.110 1.00 0.00 N ATOM 211 CA GLY A 13 -4.596 8.294 0.863 1.00 0.00 C ATOM 212 C GLY A 13 -3.453 7.771 1.736 1.00 0.00 C ATOM 213 O GLY A 13 -2.328 8.260 1.649 1.00 0.00 O ATOM 0 H GLY A 13 -5.972 6.759 0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.322 8.211 -0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.759 9.352 1.067 1.00 0.00 H new ATOM 217 N ASP A 14 -3.781 6.784 2.555 1.00 0.00 N ATOM 218 CA ASP A 14 -2.797 6.189 3.442 1.00 0.00 C ATOM 219 C ASP A 14 -1.895 5.249 2.640 1.00 0.00 C ATOM 220 O ASP A 14 -2.378 4.467 1.825 1.00 0.00 O ATOM 221 CB ASP A 14 -3.471 5.370 4.545 1.00 0.00 C ATOM 222 CG ASP A 14 -2.625 4.228 5.112 1.00 0.00 C ATOM 223 OD1 ASP A 14 -1.664 4.543 5.846 1.00 0.00 O ATOM 224 OD2 ASP A 14 -2.960 3.065 4.799 1.00 0.00 O ATOM 0 H ASP A 14 -4.715 6.381 2.623 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.221 6.996 3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.742 6.041 5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.399 4.954 4.152 1.00 0.00 H new ATOM 229 N LEU A 15 -0.600 5.358 2.900 1.00 0.00 N ATOM 230 CA LEU A 15 0.374 4.526 2.212 1.00 0.00 C ATOM 231 C LEU A 15 0.994 3.546 3.208 1.00 0.00 C ATOM 232 O LEU A 15 1.379 3.934 4.311 1.00 0.00 O ATOM 233 CB LEU A 15 1.400 5.396 1.484 1.00 0.00 C ATOM 234 CG LEU A 15 1.936 4.839 0.164 1.00 0.00 C ATOM 235 CD1 LEU A 15 1.926 3.310 0.171 1.00 0.00 C ATOM 236 CD2 LEU A 15 1.164 5.411 -1.028 1.00 0.00 C ATOM 0 H LEU A 15 -0.203 6.009 3.577 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.111 3.930 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.948 6.369 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.244 5.565 2.153 1.00 0.00 H new ATOM 0 HG LEU A 15 2.974 5.155 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.312 2.939 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.553 2.946 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.906 2.953 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.566 4.998 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.110 5.146 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.266 6.496 -1.040 1.00 0.00 H new ATOM 248 N VAL A 16 1.075 2.293 2.783 1.00 0.00 N ATOM 249 CA VAL A 16 1.644 1.252 3.624 1.00 0.00 C ATOM 250 C VAL A 16 1.970 0.030 2.765 1.00 0.00 C ATOM 251 O VAL A 16 1.718 0.028 1.561 1.00 0.00 O ATOM 252 CB VAL A 16 0.691 0.935 4.779 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.108 -0.473 4.637 1.00 0.00 C ATOM 254 CG2 VAL A 16 1.389 1.106 6.129 1.00 0.00 C ATOM 0 H VAL A 16 0.756 1.975 1.868 1.00 0.00 H new ATOM 0 HA VAL A 16 2.577 1.591 4.073 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.134 1.646 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.566 -0.674 5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.443 -0.546 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.917 -1.204 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.689 0.875 6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.243 0.431 6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.733 2.135 6.233 1.00 0.00 H new ATOM 264 N PHE A 17 2.528 -0.979 3.416 1.00 0.00 N ATOM 265 CA PHE A 17 2.893 -2.205 2.727 1.00 0.00 C ATOM 266 C PHE A 17 1.768 -3.237 2.813 1.00 0.00 C ATOM 267 O PHE A 17 1.514 -3.798 3.877 1.00 0.00 O ATOM 268 CB PHE A 17 4.135 -2.761 3.429 1.00 0.00 C ATOM 269 CG PHE A 17 5.178 -1.700 3.781 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.395 -0.653 2.940 1.00 0.00 C ATOM 271 CD2 PHE A 17 5.889 -1.802 4.937 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.363 0.332 3.267 1.00 0.00 C ATOM 273 CE2 PHE A 17 6.857 -0.816 5.264 1.00 0.00 C ATOM 274 CZ PHE A 17 7.075 0.229 4.422 1.00 0.00 C ATOM 0 H PHE A 17 2.737 -0.973 4.414 1.00 0.00 H new ATOM 0 HA PHE A 17 3.080 -1.998 1.673 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.826 -3.269 4.342 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.597 -3.511 2.787 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.830 -0.571 2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.717 -2.633 5.605 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.535 1.163 2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.420 -0.896 6.182 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.813 0.977 4.670 1.00 0.00 H new ATOM 284 N ALA A 18 1.122 -3.457 1.676 1.00 0.00 N ATOM 285 CA ALA A 18 0.029 -4.412 1.609 1.00 0.00 C ATOM 286 C ALA A 18 0.588 -5.797 1.270 1.00 0.00 C ATOM 287 O ALA A 18 1.546 -5.914 0.508 1.00 0.00 O ATOM 288 CB ALA A 18 -1.004 -3.935 0.587 1.00 0.00 C ATOM 0 H ALA A 18 1.335 -2.990 0.795 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.476 -4.486 2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.824 -4.652 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.391 -2.961 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.534 -3.852 -0.393 1.00 0.00 H new ATOM 294 N LYS A 19 -0.037 -6.810 1.852 1.00 0.00 N ATOM 295 CA LYS A 19 0.385 -8.181 1.622 1.00 0.00 C ATOM 296 C LYS A 19 -0.733 -8.941 0.906 1.00 0.00 C ATOM 297 O LYS A 19 -1.904 -8.802 1.256 1.00 0.00 O ATOM 298 CB LYS A 19 0.830 -8.832 2.933 1.00 0.00 C ATOM 299 CG LYS A 19 2.115 -9.638 2.735 1.00 0.00 C ATOM 300 CD LYS A 19 3.141 -9.312 3.822 1.00 0.00 C ATOM 301 CE LYS A 19 3.023 -10.283 4.998 1.00 0.00 C ATOM 302 NZ LYS A 19 1.956 -9.846 5.926 1.00 0.00 N ATOM 0 H LYS A 19 -0.832 -6.709 2.482 1.00 0.00 H new ATOM 0 HA LYS A 19 1.257 -8.207 0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.991 -8.063 3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.041 -9.485 3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.886 -10.704 2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.538 -9.420 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.147 -9.362 3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.992 -8.291 4.173 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.804 -11.285 4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.974 -10.339 5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.901 -10.507 6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.172 -8.892 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.045 -9.832 5.425 1.00 0.00 H new ATOM 316 N MET A 20 -0.332 -9.725 -0.084 1.00 0.00 N ATOM 317 CA MET A 20 -1.287 -10.508 -0.851 1.00 0.00 C ATOM 318 C MET A 20 -0.895 -11.986 -0.868 1.00 0.00 C ATOM 319 O MET A 20 0.286 -12.322 -0.789 1.00 0.00 O ATOM 320 CB MET A 20 -1.344 -9.978 -2.285 1.00 0.00 C ATOM 321 CG MET A 20 -2.451 -10.670 -3.082 1.00 0.00 C ATOM 322 SD MET A 20 -3.354 -9.470 -4.046 1.00 0.00 S ATOM 323 CE MET A 20 -3.130 -10.153 -5.680 1.00 0.00 C ATOM 0 H MET A 20 0.640 -9.835 -0.373 1.00 0.00 H new ATOM 0 HA MET A 20 -2.266 -10.417 -0.381 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.519 -8.902 -2.272 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.384 -10.139 -2.774 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.019 -11.425 -3.739 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.129 -11.188 -2.404 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.635 -9.521 -6.411 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.066 -10.198 -5.913 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.552 -11.157 -5.716 1.00 0.00 H new ATOM 333 N LYS A 21 -1.909 -12.833 -0.973 1.00 0.00 N ATOM 334 CA LYS A 21 -1.686 -14.269 -1.001 1.00 0.00 C ATOM 335 C LYS A 21 -0.713 -14.607 -2.132 1.00 0.00 C ATOM 336 O LYS A 21 -0.951 -14.255 -3.287 1.00 0.00 O ATOM 337 CB LYS A 21 -3.019 -15.016 -1.093 1.00 0.00 C ATOM 338 CG LYS A 21 -3.550 -15.360 0.300 1.00 0.00 C ATOM 339 CD LYS A 21 -3.232 -16.812 0.664 1.00 0.00 C ATOM 340 CE LYS A 21 -4.330 -17.408 1.547 1.00 0.00 C ATOM 341 NZ LYS A 21 -3.918 -17.394 2.968 1.00 0.00 N ATOM 0 H LYS A 21 -2.887 -12.552 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.224 -14.601 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.748 -14.403 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.889 -15.930 -1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.107 -14.691 1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.628 -15.201 0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.130 -17.405 -0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.276 -16.859 1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.252 -16.840 1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.542 -18.430 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.675 -17.802 3.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.050 -17.956 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.739 -16.414 3.268 1.00 0.00 H new ATOM 355 N GLY A 22 0.364 -15.286 -1.761 1.00 0.00 N ATOM 356 CA GLY A 22 1.373 -15.675 -2.730 1.00 0.00 C ATOM 357 C GLY A 22 2.397 -14.556 -2.935 1.00 0.00 C ATOM 358 O GLY A 22 3.498 -14.800 -3.426 1.00 0.00 O ATOM 0 H GLY A 22 0.559 -15.576 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.879 -16.578 -2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.896 -15.915 -3.680 1.00 0.00 H new ATOM 362 N TYR A 23 1.997 -13.354 -2.549 1.00 0.00 N ATOM 363 CA TYR A 23 2.866 -12.197 -2.684 1.00 0.00 C ATOM 364 C TYR A 23 3.268 -11.650 -1.312 1.00 0.00 C ATOM 365 O TYR A 23 2.420 -11.460 -0.443 1.00 0.00 O ATOM 366 CB TYR A 23 2.045 -11.136 -3.421 1.00 0.00 C ATOM 367 CG TYR A 23 2.868 -10.256 -4.362 1.00 0.00 C ATOM 368 CD1 TYR A 23 3.897 -10.807 -5.098 1.00 0.00 C ATOM 369 CD2 TYR A 23 2.580 -8.911 -4.477 1.00 0.00 C ATOM 370 CE1 TYR A 23 4.672 -9.978 -5.984 1.00 0.00 C ATOM 371 CE2 TYR A 23 3.355 -8.082 -5.363 1.00 0.00 C ATOM 372 CZ TYR A 23 4.363 -8.656 -6.074 1.00 0.00 C ATOM 373 OH TYR A 23 5.095 -7.873 -6.910 1.00 0.00 O ATOM 0 H TYR A 23 1.083 -13.156 -2.143 1.00 0.00 H new ATOM 0 HA TYR A 23 3.779 -12.464 -3.216 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.262 -11.631 -3.995 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.549 -10.501 -2.687 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.121 -11.860 -5.009 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.773 -8.480 -3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.481 -10.396 -6.564 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.141 -7.028 -5.461 1.00 0.00 H new ATOM 0 HH TYR A 23 5.747 -7.359 -6.390 1.00 0.00 H new ATOM 383 N PRO A 24 4.597 -11.408 -1.157 1.00 0.00 N ATOM 384 CA PRO A 24 5.123 -10.888 0.093 1.00 0.00 C ATOM 385 C PRO A 24 4.799 -9.401 0.247 1.00 0.00 C ATOM 386 O PRO A 24 4.246 -8.785 -0.663 1.00 0.00 O ATOM 387 CB PRO A 24 6.616 -11.168 0.039 1.00 0.00 C ATOM 388 CG PRO A 24 6.942 -11.412 -1.426 1.00 0.00 C ATOM 389 CD PRO A 24 5.631 -11.622 -2.167 1.00 0.00 C ATOM 0 HA PRO A 24 4.674 -11.360 0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.186 -10.325 0.431 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.873 -12.036 0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.484 -10.563 -1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.585 -12.285 -1.534 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.527 -10.921 -2.995 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.571 -12.625 -2.589 1.00 0.00 H new ATOM 397 N HIS A 25 5.158 -8.866 1.405 1.00 0.00 N ATOM 398 CA HIS A 25 4.913 -7.463 1.690 1.00 0.00 C ATOM 399 C HIS A 25 5.281 -6.619 0.468 1.00 0.00 C ATOM 400 O HIS A 25 6.423 -6.646 0.012 1.00 0.00 O ATOM 401 CB HIS A 25 5.654 -7.028 2.956 1.00 0.00 C ATOM 402 CG HIS A 25 4.745 -6.600 4.082 1.00 0.00 C ATOM 403 ND1 HIS A 25 4.810 -7.152 5.349 1.00 0.00 N ATOM 404 CD2 HIS A 25 3.751 -5.666 4.120 1.00 0.00 C ATOM 405 CE1 HIS A 25 3.891 -6.571 6.107 1.00 0.00 C ATOM 406 NE2 HIS A 25 3.235 -5.652 5.343 1.00 0.00 N ATOM 0 H HIS A 25 5.617 -9.380 2.157 1.00 0.00 H new ATOM 0 HA HIS A 25 3.852 -7.309 1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 25 6.279 -7.852 3.300 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.322 -6.203 2.708 1.00 0.00 H new ATOM 0 HD1 HIS A 25 5.456 -7.882 5.649 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.437 -5.044 3.295 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.696 -6.788 7.147 1.00 0.00 H new ATOM 414 N TRP A 26 4.292 -5.890 -0.028 1.00 0.00 N ATOM 415 CA TRP A 26 4.498 -5.041 -1.188 1.00 0.00 C ATOM 416 C TRP A 26 3.948 -3.650 -0.859 1.00 0.00 C ATOM 417 O TRP A 26 2.947 -3.525 -0.158 1.00 0.00 O ATOM 418 CB TRP A 26 3.862 -5.654 -2.437 1.00 0.00 C ATOM 419 CG TRP A 26 4.796 -5.708 -3.648 1.00 0.00 C ATOM 420 CD1 TRP A 26 4.971 -4.777 -4.596 1.00 0.00 C ATOM 421 CD2 TRP A 26 5.679 -6.791 -4.005 1.00 0.00 C ATOM 422 NE1 TRP A 26 5.901 -5.180 -5.534 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.344 -6.443 -5.164 1.00 0.00 C ATOM 424 CE3 TRP A 26 5.909 -8.025 -3.371 1.00 0.00 C ATOM 425 CZ2 TRP A 26 7.282 -7.274 -5.787 1.00 0.00 C ATOM 426 CZ3 TRP A 26 6.849 -8.844 -4.007 1.00 0.00 C ATOM 427 CH2 TRP A 26 7.528 -8.508 -5.173 1.00 0.00 C ATOM 0 H TRP A 26 3.346 -5.870 0.353 1.00 0.00 H new ATOM 0 HA TRP A 26 5.560 -4.952 -1.416 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.528 -6.665 -2.203 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.975 -5.078 -2.701 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.450 -3.831 -4.623 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.206 -4.648 -6.349 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.400 -8.318 -2.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.789 -6.979 -6.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.062 -9.804 -3.561 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.242 -9.195 -5.603 1.00 0.00 H new ATOM 438 N PRO A 27 4.647 -2.615 -1.397 1.00 0.00 N ATOM 439 CA PRO A 27 4.240 -1.238 -1.167 1.00 0.00 C ATOM 440 C PRO A 27 3.007 -0.886 -2.003 1.00 0.00 C ATOM 441 O PRO A 27 3.097 -0.745 -3.221 1.00 0.00 O ATOM 442 CB PRO A 27 5.459 -0.403 -1.526 1.00 0.00 C ATOM 443 CG PRO A 27 6.342 -1.298 -2.380 1.00 0.00 C ATOM 444 CD PRO A 27 5.839 -2.725 -2.233 1.00 0.00 C ATOM 0 HA PRO A 27 3.937 -1.054 -0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.170 0.495 -2.072 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.986 -0.076 -0.630 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.306 -0.986 -3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.382 -1.225 -2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.603 -3.163 -3.203 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.590 -3.364 -1.769 1.00 0.00 H new ATOM 452 N ALA A 28 1.883 -0.752 -1.313 1.00 0.00 N ATOM 453 CA ALA A 28 0.635 -0.418 -1.976 1.00 0.00 C ATOM 454 C ALA A 28 -0.064 0.703 -1.203 1.00 0.00 C ATOM 455 O ALA A 28 0.214 0.916 -0.024 1.00 0.00 O ATOM 456 CB ALA A 28 -0.234 -1.674 -2.092 1.00 0.00 C ATOM 0 H ALA A 28 1.811 -0.869 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 28 0.823 -0.056 -2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.171 -1.424 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.295 -2.430 -2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.445 -2.064 -1.096 1.00 0.00 H new ATOM 462 N ARG A 29 -0.956 1.393 -1.900 1.00 0.00 N ATOM 463 CA ARG A 29 -1.695 2.487 -1.295 1.00 0.00 C ATOM 464 C ARG A 29 -3.113 2.038 -0.941 1.00 0.00 C ATOM 465 O ARG A 29 -3.606 1.045 -1.476 1.00 0.00 O ATOM 466 CB ARG A 29 -1.769 3.690 -2.238 1.00 0.00 C ATOM 467 CG ARG A 29 -2.229 4.944 -1.492 1.00 0.00 C ATOM 468 CD ARG A 29 -2.172 6.174 -2.401 1.00 0.00 C ATOM 469 NE ARG A 29 -3.420 6.280 -3.188 1.00 0.00 N ATOM 470 CZ ARG A 29 -3.550 7.025 -4.294 1.00 0.00 C ATOM 471 NH1 ARG A 29 -2.508 7.733 -4.749 1.00 0.00 N ATOM 472 NH2 ARG A 29 -4.721 7.061 -4.944 1.00 0.00 N ATOM 0 H ARG A 29 -1.183 1.215 -2.878 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.167 2.782 -0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.791 3.867 -2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.458 3.475 -3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.247 4.803 -1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.598 5.104 -0.618 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.033 7.073 -1.801 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.315 6.102 -3.071 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.233 5.753 -2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.617 7.705 -4.254 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.606 8.301 -5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.514 6.521 -4.597 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.820 7.628 -5.786 1.00 0.00 H new ATOM 486 N ILE A 30 -3.731 2.789 -0.041 1.00 0.00 N ATOM 487 CA ILE A 30 -5.083 2.481 0.391 1.00 0.00 C ATOM 488 C ILE A 30 -6.081 3.170 -0.541 1.00 0.00 C ATOM 489 O ILE A 30 -5.792 4.231 -1.090 1.00 0.00 O ATOM 490 CB ILE A 30 -5.270 2.841 1.866 1.00 0.00 C ATOM 491 CG1 ILE A 30 -6.015 1.731 2.612 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.962 4.197 2.016 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.527 1.960 2.568 1.00 0.00 C ATOM 0 H ILE A 30 -3.319 3.611 0.401 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.269 1.409 0.322 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.285 2.930 2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.777 0.765 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.679 1.695 3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.083 4.429 3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.356 4.969 1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.941 4.161 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.032 1.157 3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.764 2.915 3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.863 1.971 1.531 1.00 0.00 H new ATOM 505 N ASP A 31 -7.236 2.537 -0.690 1.00 0.00 N ATOM 506 CA ASP A 31 -8.279 3.077 -1.547 1.00 0.00 C ATOM 507 C ASP A 31 -9.629 2.494 -1.127 1.00 0.00 C ATOM 508 O ASP A 31 -9.698 1.370 -0.630 1.00 0.00 O ATOM 509 CB ASP A 31 -8.037 2.704 -3.010 1.00 0.00 C ATOM 510 CG ASP A 31 -7.188 3.701 -3.800 1.00 0.00 C ATOM 511 OD1 ASP A 31 -5.949 3.639 -3.647 1.00 0.00 O ATOM 512 OD2 ASP A 31 -7.796 4.505 -4.540 1.00 0.00 O ATOM 0 H ASP A 31 -7.472 1.657 -0.233 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.271 4.162 -1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.551 1.729 -3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.002 2.598 -3.506 1.00 0.00 H new ATOM 517 N GLU A 32 -10.672 3.283 -1.343 1.00 0.00 N ATOM 518 CA GLU A 32 -12.016 2.859 -0.993 1.00 0.00 C ATOM 519 C GLU A 32 -12.771 2.400 -2.243 1.00 0.00 C ATOM 520 O GLU A 32 -12.539 2.913 -3.336 1.00 0.00 O ATOM 521 CB GLU A 32 -12.776 3.978 -0.276 1.00 0.00 C ATOM 522 CG GLU A 32 -13.070 3.597 1.177 1.00 0.00 C ATOM 523 CD GLU A 32 -14.517 3.129 1.337 1.00 0.00 C ATOM 524 OE1 GLU A 32 -14.766 1.942 1.034 1.00 0.00 O ATOM 525 OE2 GLU A 32 -15.340 3.967 1.761 1.00 0.00 O ATOM 0 H GLU A 32 -10.612 4.214 -1.756 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.941 2.016 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.190 4.896 -0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.711 4.181 -0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.391 2.806 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.887 4.453 1.826 1.00 0.00 H new ATOM 532 N MET A 33 -13.657 1.436 -2.040 1.00 0.00 N ATOM 533 CA MET A 33 -14.446 0.901 -3.136 1.00 0.00 C ATOM 534 C MET A 33 -15.531 1.891 -3.565 1.00 0.00 C ATOM 535 O MET A 33 -16.458 2.169 -2.806 1.00 0.00 O ATOM 536 CB MET A 33 -15.098 -0.414 -2.704 1.00 0.00 C ATOM 537 CG MET A 33 -14.495 -1.599 -3.462 1.00 0.00 C ATOM 538 SD MET A 33 -14.672 -1.352 -5.220 1.00 0.00 S ATOM 539 CE MET A 33 -13.816 -2.798 -5.824 1.00 0.00 C ATOM 0 H MET A 33 -13.846 1.011 -1.132 1.00 0.00 H new ATOM 0 HA MET A 33 -13.783 0.726 -3.983 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.963 -0.556 -1.632 1.00 0.00 H new ATOM 0 HB3 MET A 33 -16.172 -0.369 -2.886 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.441 -1.707 -3.206 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.992 -2.523 -3.164 1.00 0.00 H new ATOM 0 HE1 MET A 33 -13.832 -2.801 -6.914 1.00 0.00 H new ATOM 0 HE2 MET A 33 -12.783 -2.781 -5.476 1.00 0.00 H new ATOM 0 HE3 MET A 33 -14.310 -3.695 -5.451 1.00 0.00 H new ATOM 549 N PRO A 34 -15.376 2.411 -4.813 1.00 0.00 N ATOM 550 CA PRO A 34 -16.331 3.363 -5.351 1.00 0.00 C ATOM 551 C PRO A 34 -17.627 2.665 -5.766 1.00 0.00 C ATOM 552 O PRO A 34 -17.720 1.439 -5.713 1.00 0.00 O ATOM 553 CB PRO A 34 -15.613 4.024 -6.517 1.00 0.00 C ATOM 554 CG PRO A 34 -14.464 3.097 -6.877 1.00 0.00 C ATOM 555 CD PRO A 34 -14.290 2.105 -5.739 1.00 0.00 C ATOM 0 HA PRO A 34 -16.641 4.107 -4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -16.286 4.160 -7.364 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.246 5.012 -6.240 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.674 2.574 -7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.548 3.667 -7.030 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.352 1.077 -6.096 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.317 2.218 -5.260 1.00 0.00 H new ATOM 563 N GLU A 35 -18.595 3.475 -6.170 1.00 0.00 N ATOM 564 CA GLU A 35 -19.882 2.951 -6.594 1.00 0.00 C ATOM 565 C GLU A 35 -20.385 3.708 -7.824 1.00 0.00 C ATOM 566 O GLU A 35 -21.591 3.841 -8.026 1.00 0.00 O ATOM 567 CB GLU A 35 -20.902 3.015 -5.454 1.00 0.00 C ATOM 568 CG GLU A 35 -20.882 4.386 -4.778 1.00 0.00 C ATOM 569 CD GLU A 35 -22.014 4.508 -3.754 1.00 0.00 C ATOM 570 OE1 GLU A 35 -22.024 3.681 -2.818 1.00 0.00 O ATOM 571 OE2 GLU A 35 -22.841 5.427 -3.932 1.00 0.00 O ATOM 0 H GLU A 35 -18.513 4.491 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 35 -19.754 1.903 -6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.900 2.811 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.681 2.240 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.922 4.538 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.981 5.168 -5.531 1.00 0.00 H new ATOM 578 N ALA A 36 -19.435 4.187 -8.614 1.00 0.00 N ATOM 579 CA ALA A 36 -19.767 4.929 -9.819 1.00 0.00 C ATOM 580 C ALA A 36 -19.545 4.034 -11.039 1.00 0.00 C ATOM 581 O ALA A 36 -20.465 3.814 -11.827 1.00 0.00 O ATOM 582 CB ALA A 36 -18.934 6.211 -9.875 1.00 0.00 C ATOM 0 H ALA A 36 -18.436 4.076 -8.443 1.00 0.00 H new ATOM 0 HA ALA A 36 -20.816 5.224 -9.813 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -19.183 6.767 -10.779 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -19.150 6.824 -9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.874 5.956 -9.886 1.00 0.00 H new ATOM 588 N ALA A 37 -18.321 3.543 -11.160 1.00 0.00 N ATOM 589 CA ALA A 37 -17.967 2.677 -12.272 1.00 0.00 C ATOM 590 C ALA A 37 -18.739 1.362 -12.154 1.00 0.00 C ATOM 591 O ALA A 37 -19.403 0.942 -13.101 1.00 0.00 O ATOM 592 CB ALA A 37 -16.453 2.464 -12.290 1.00 0.00 C ATOM 0 H ALA A 37 -17.561 3.728 -10.506 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.243 3.137 -13.221 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.187 1.814 -13.124 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -15.952 3.425 -12.404 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.140 2.000 -11.355 1.00 0.00 H new ATOM 598 N VAL A 38 -18.628 0.749 -10.985 1.00 0.00 N ATOM 599 CA VAL A 38 -19.307 -0.510 -10.732 1.00 0.00 C ATOM 600 C VAL A 38 -19.885 -0.497 -9.315 1.00 0.00 C ATOM 601 O VAL A 38 -19.690 0.463 -8.569 1.00 0.00 O ATOM 602 CB VAL A 38 -18.351 -1.678 -10.977 1.00 0.00 C ATOM 603 CG1 VAL A 38 -17.986 -1.787 -12.459 1.00 0.00 C ATOM 604 CG2 VAL A 38 -17.097 -1.552 -10.112 1.00 0.00 C ATOM 0 H VAL A 38 -18.077 1.101 -10.202 1.00 0.00 H new ATOM 0 HA VAL A 38 -20.141 -0.640 -11.422 1.00 0.00 H new ATOM 0 HB VAL A 38 -18.864 -2.596 -10.690 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.305 -2.626 -12.605 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.891 -1.947 -13.046 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -17.502 -0.866 -12.783 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.435 -2.396 -10.306 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.581 -0.623 -10.353 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -17.380 -1.548 -9.059 1.00 0.00 H new ATOM 614 N LYS A 39 -20.584 -1.573 -8.986 1.00 0.00 N ATOM 615 CA LYS A 39 -21.191 -1.698 -7.672 1.00 0.00 C ATOM 616 C LYS A 39 -20.259 -2.496 -6.758 1.00 0.00 C ATOM 617 O LYS A 39 -19.811 -3.583 -7.119 1.00 0.00 O ATOM 618 CB LYS A 39 -22.598 -2.289 -7.784 1.00 0.00 C ATOM 619 CG LYS A 39 -23.455 -1.481 -8.759 1.00 0.00 C ATOM 620 CD LYS A 39 -24.121 -2.392 -9.792 1.00 0.00 C ATOM 621 CE LYS A 39 -23.549 -2.147 -11.190 1.00 0.00 C ATOM 622 NZ LYS A 39 -23.962 -3.225 -12.115 1.00 0.00 N ATOM 0 H LYS A 39 -20.744 -2.366 -9.607 1.00 0.00 H new ATOM 0 HA LYS A 39 -21.319 -0.716 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -22.536 -3.324 -8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -23.071 -2.301 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -24.218 -0.932 -8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -22.835 -0.742 -9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -23.972 -3.435 -9.512 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -25.196 -2.214 -9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -23.894 -1.184 -11.567 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -22.461 -2.099 -11.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -23.565 -3.043 -13.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -23.612 -4.138 -11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -25.000 -3.252 -12.175 1.00 0.00 H new ATOM 636 N SER A 40 -19.997 -1.926 -5.591 1.00 0.00 N ATOM 637 CA SER A 40 -19.126 -2.572 -4.622 1.00 0.00 C ATOM 638 C SER A 40 -19.960 -3.168 -3.487 1.00 0.00 C ATOM 639 O SER A 40 -21.179 -3.013 -3.460 1.00 0.00 O ATOM 640 CB SER A 40 -18.095 -1.587 -4.065 1.00 0.00 C ATOM 641 OG SER A 40 -18.638 -0.780 -3.023 1.00 0.00 O ATOM 0 H SER A 40 -20.372 -1.025 -5.294 1.00 0.00 H new ATOM 0 HA SER A 40 -18.586 -3.373 -5.127 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.234 -2.138 -3.686 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.734 -0.946 -4.869 1.00 0.00 H new ATOM 0 HG SER A 40 -18.308 0.138 -3.115 1.00 0.00 H new ATOM 647 N THR A 41 -19.267 -3.839 -2.576 1.00 0.00 N ATOM 648 CA THR A 41 -19.928 -4.459 -1.442 1.00 0.00 C ATOM 649 C THR A 41 -19.388 -3.882 -0.130 1.00 0.00 C ATOM 650 O THR A 41 -18.533 -2.998 -0.141 1.00 0.00 O ATOM 651 CB THR A 41 -19.747 -5.973 -1.557 1.00 0.00 C ATOM 652 OG1 THR A 41 -18.338 -6.163 -1.472 1.00 0.00 O ATOM 653 CG2 THR A 41 -20.110 -6.500 -2.947 1.00 0.00 C ATOM 0 H THR A 41 -18.255 -3.966 -2.602 1.00 0.00 H new ATOM 0 HA THR A 41 -20.997 -4.244 -1.442 1.00 0.00 H new ATOM 0 HB THR A 41 -20.362 -6.470 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 41 -18.132 -7.119 -1.536 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.964 -7.580 -2.976 1.00 0.00 H new ATOM 0 HG22 THR A 41 -21.153 -6.269 -3.163 1.00 0.00 H new ATOM 0 HG23 THR A 41 -19.472 -6.027 -3.693 1.00 0.00 H new ATOM 661 N ALA A 42 -19.912 -4.405 0.970 1.00 0.00 N ATOM 662 CA ALA A 42 -19.495 -3.953 2.286 1.00 0.00 C ATOM 663 C ALA A 42 -18.365 -4.852 2.793 1.00 0.00 C ATOM 664 O ALA A 42 -17.955 -5.788 2.108 1.00 0.00 O ATOM 665 CB ALA A 42 -20.699 -3.943 3.228 1.00 0.00 C ATOM 0 H ALA A 42 -20.622 -5.138 0.976 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.111 -2.934 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -20.386 -3.604 4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -21.461 -3.268 2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -21.110 -4.950 3.304 1.00 0.00 H new ATOM 671 N ASN A 43 -17.893 -4.535 3.990 1.00 0.00 N ATOM 672 CA ASN A 43 -16.818 -5.302 4.598 1.00 0.00 C ATOM 673 C ASN A 43 -15.783 -5.656 3.529 1.00 0.00 C ATOM 674 O ASN A 43 -15.619 -6.824 3.182 1.00 0.00 O ATOM 675 CB ASN A 43 -17.345 -6.608 5.197 1.00 0.00 C ATOM 676 CG ASN A 43 -18.143 -7.404 4.163 1.00 0.00 C ATOM 677 OD1 ASN A 43 -19.436 -7.094 4.121 1.00 0.00 O flip ATOM 678 ND2 ASN A 43 -17.620 -8.242 3.448 1.00 0.00 N flip ATOM 0 H ASN A 43 -18.235 -3.758 4.555 1.00 0.00 H new ATOM 0 HA ASN A 43 -16.375 -4.696 5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -16.511 -7.209 5.558 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -17.976 -6.388 6.058 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -16.621 -8.432 3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -18.181 -8.753 2.767 1.00 0.00 H new ATOM 685 N LYS A 44 -15.111 -4.625 3.038 1.00 0.00 N ATOM 686 CA LYS A 44 -14.095 -4.812 2.018 1.00 0.00 C ATOM 687 C LYS A 44 -13.413 -3.472 1.729 1.00 0.00 C ATOM 688 O LYS A 44 -14.068 -2.431 1.707 1.00 0.00 O ATOM 689 CB LYS A 44 -14.699 -5.473 0.776 1.00 0.00 C ATOM 690 CG LYS A 44 -15.113 -4.425 -0.258 1.00 0.00 C ATOM 691 CD LYS A 44 -13.979 -4.157 -1.251 1.00 0.00 C ATOM 692 CE LYS A 44 -14.193 -4.932 -2.551 1.00 0.00 C ATOM 693 NZ LYS A 44 -13.967 -6.379 -2.333 1.00 0.00 N ATOM 0 H LYS A 44 -15.251 -3.657 3.328 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.322 -5.494 2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.974 -6.157 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.566 -6.069 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.998 -4.768 -0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.386 -3.498 0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.923 -3.090 -1.465 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.026 -4.443 -0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.206 -4.767 -2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.512 -4.563 -3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.763 -6.839 -3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.161 -6.511 -1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.818 -6.804 -1.913 1.00 0.00 H new ATOM 707 N TYR A 45 -12.107 -3.543 1.516 1.00 0.00 N ATOM 708 CA TYR A 45 -11.330 -2.349 1.232 1.00 0.00 C ATOM 709 C TYR A 45 -10.540 -2.507 -0.069 1.00 0.00 C ATOM 710 O TYR A 45 -10.153 -3.616 -0.434 1.00 0.00 O ATOM 711 CB TYR A 45 -10.349 -2.198 2.396 1.00 0.00 C ATOM 712 CG TYR A 45 -10.412 -0.835 3.088 1.00 0.00 C ATOM 713 CD1 TYR A 45 -10.264 0.322 2.352 1.00 0.00 C ATOM 714 CD2 TYR A 45 -10.618 -0.763 4.451 1.00 0.00 C ATOM 715 CE1 TYR A 45 -10.324 1.605 3.004 1.00 0.00 C ATOM 716 CE2 TYR A 45 -10.677 0.520 5.104 1.00 0.00 C ATOM 717 CZ TYR A 45 -10.528 1.640 4.347 1.00 0.00 C ATOM 718 OH TYR A 45 -10.583 2.851 4.964 1.00 0.00 O ATOM 0 H TYR A 45 -11.568 -4.409 1.534 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.982 -1.483 1.121 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.550 -2.977 3.131 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.336 -2.361 2.028 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.103 0.266 1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.735 -1.668 5.028 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.210 2.518 2.439 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.836 0.591 6.170 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.735 2.723 5.924 1.00 0.00 H new ATOM 728 N GLN A 46 -10.323 -1.380 -0.733 1.00 0.00 N ATOM 729 CA GLN A 46 -9.586 -1.380 -1.984 1.00 0.00 C ATOM 730 C GLN A 46 -8.122 -1.010 -1.738 1.00 0.00 C ATOM 731 O GLN A 46 -7.831 -0.057 -1.017 1.00 0.00 O ATOM 732 CB GLN A 46 -10.228 -0.430 -2.997 1.00 0.00 C ATOM 733 CG GLN A 46 -9.512 -0.503 -4.347 1.00 0.00 C ATOM 734 CD GLN A 46 -10.399 0.039 -5.470 1.00 0.00 C ATOM 735 OE1 GLN A 46 -11.237 -0.653 -6.024 1.00 0.00 O ATOM 736 NE2 GLN A 46 -10.169 1.314 -5.773 1.00 0.00 N ATOM 0 H GLN A 46 -10.645 -0.462 -0.427 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.621 -2.385 -2.404 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.280 -0.686 -3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.192 0.591 -2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.586 0.070 -4.302 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.238 -1.536 -4.562 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.452 1.836 -5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.710 1.769 -6.509 1.00 0.00 H new ATOM 745 N VAL A 47 -7.238 -1.785 -2.351 1.00 0.00 N ATOM 746 CA VAL A 47 -5.811 -1.551 -2.207 1.00 0.00 C ATOM 747 C VAL A 47 -5.174 -1.440 -3.594 1.00 0.00 C ATOM 748 O VAL A 47 -5.454 -2.251 -4.476 1.00 0.00 O ATOM 749 CB VAL A 47 -5.185 -2.652 -1.349 1.00 0.00 C ATOM 750 CG1 VAL A 47 -3.795 -3.027 -1.867 1.00 0.00 C ATOM 751 CG2 VAL A 47 -5.127 -2.234 0.121 1.00 0.00 C ATOM 0 H VAL A 47 -7.483 -2.575 -2.948 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.629 -0.609 -1.689 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.819 -3.535 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.372 -3.812 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.874 -3.386 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.147 -2.151 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.678 -3.034 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.526 -1.330 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.136 -2.039 0.484 1.00 0.00 H new ATOM 761 N PHE A 48 -4.332 -0.429 -3.744 1.00 0.00 N ATOM 762 CA PHE A 48 -3.654 -0.200 -5.009 1.00 0.00 C ATOM 763 C PHE A 48 -2.169 -0.550 -4.905 1.00 0.00 C ATOM 764 O PHE A 48 -1.388 0.204 -4.326 1.00 0.00 O ATOM 765 CB PHE A 48 -3.793 1.290 -5.328 1.00 0.00 C ATOM 766 CG PHE A 48 -4.305 1.577 -6.742 1.00 0.00 C ATOM 767 CD1 PHE A 48 -4.079 0.682 -7.742 1.00 0.00 C ATOM 768 CD2 PHE A 48 -4.983 2.728 -6.999 1.00 0.00 C ATOM 769 CE1 PHE A 48 -4.553 0.950 -9.053 1.00 0.00 C ATOM 770 CE2 PHE A 48 -5.457 2.993 -8.311 1.00 0.00 C ATOM 771 CZ PHE A 48 -5.232 2.100 -9.310 1.00 0.00 C ATOM 0 H PHE A 48 -4.103 0.242 -3.010 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.094 -0.825 -5.786 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.473 1.744 -4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.824 1.771 -5.199 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.540 -0.231 -7.538 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.161 3.439 -6.206 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.374 0.240 -9.847 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.997 3.906 -8.515 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.592 2.303 -10.308 1.00 0.00 H new ATOM 781 N PHE A 49 -1.822 -1.695 -5.476 1.00 0.00 N ATOM 782 CA PHE A 49 -0.443 -2.154 -5.455 1.00 0.00 C ATOM 783 C PHE A 49 0.417 -1.352 -6.434 1.00 0.00 C ATOM 784 O PHE A 49 0.201 -1.406 -7.644 1.00 0.00 O ATOM 785 CB PHE A 49 -0.455 -3.620 -5.888 1.00 0.00 C ATOM 786 CG PHE A 49 -0.364 -4.613 -4.726 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.458 -4.864 -3.960 1.00 0.00 C ATOM 788 CD2 PHE A 49 0.811 -5.244 -4.461 1.00 0.00 C ATOM 789 CE1 PHE A 49 -1.374 -5.784 -2.881 1.00 0.00 C ATOM 790 CE2 PHE A 49 0.896 -6.165 -3.384 1.00 0.00 C ATOM 791 CZ PHE A 49 -0.199 -6.415 -2.617 1.00 0.00 C ATOM 0 H PHE A 49 -2.472 -2.318 -5.956 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.023 -2.027 -4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.369 -3.815 -6.449 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.379 -3.794 -6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.392 -4.364 -4.172 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.680 -5.044 -5.070 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.243 -5.982 -2.271 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.829 -6.667 -3.174 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.135 -7.115 -1.797 1.00 0.00 H new ATOM 801 N PHE A 50 1.373 -0.627 -5.875 1.00 0.00 N ATOM 802 CA PHE A 50 2.267 0.186 -6.683 1.00 0.00 C ATOM 803 C PHE A 50 3.386 -0.665 -7.287 1.00 0.00 C ATOM 804 O PHE A 50 4.136 -0.194 -8.141 1.00 0.00 O ATOM 805 CB PHE A 50 2.882 1.234 -5.754 1.00 0.00 C ATOM 806 CG PHE A 50 2.086 2.538 -5.673 1.00 0.00 C ATOM 807 CD1 PHE A 50 1.659 3.146 -6.812 1.00 0.00 C ATOM 808 CD2 PHE A 50 1.804 3.089 -4.461 1.00 0.00 C ATOM 809 CE1 PHE A 50 0.920 4.357 -6.737 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.065 4.299 -4.386 1.00 0.00 C ATOM 811 CZ PHE A 50 0.639 4.907 -5.525 1.00 0.00 C ATOM 0 H PHE A 50 1.549 -0.585 -4.871 1.00 0.00 H new ATOM 0 HA PHE A 50 1.714 0.645 -7.503 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.969 0.811 -4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.893 1.458 -6.095 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.882 2.708 -7.774 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.142 2.606 -3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.582 4.841 -7.641 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.841 4.736 -3.424 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.077 5.827 -5.467 1.00 0.00 H new ATOM 821 N GLY A 51 3.464 -1.901 -6.818 1.00 0.00 N ATOM 822 CA GLY A 51 4.480 -2.822 -7.300 1.00 0.00 C ATOM 823 C GLY A 51 4.118 -3.360 -8.686 1.00 0.00 C ATOM 824 O GLY A 51 4.891 -3.215 -9.632 1.00 0.00 O ATOM 0 H GLY A 51 2.840 -2.287 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.444 -2.316 -7.343 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.586 -3.651 -6.600 1.00 0.00 H new ATOM 828 N THR A 52 2.944 -3.970 -8.762 1.00 0.00 N ATOM 829 CA THR A 52 2.471 -4.529 -10.017 1.00 0.00 C ATOM 830 C THR A 52 1.743 -3.462 -10.836 1.00 0.00 C ATOM 831 O THR A 52 1.506 -3.645 -12.029 1.00 0.00 O ATOM 832 CB THR A 52 1.601 -5.746 -9.693 1.00 0.00 C ATOM 833 OG1 THR A 52 0.483 -5.198 -9.001 1.00 0.00 O ATOM 834 CG2 THR A 52 2.255 -6.678 -8.670 1.00 0.00 C ATOM 0 H THR A 52 2.306 -4.089 -7.975 1.00 0.00 H new ATOM 0 HA THR A 52 3.301 -4.861 -10.641 1.00 0.00 H new ATOM 0 HB THR A 52 1.396 -6.301 -10.609 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.040 -5.904 -8.485 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.596 -7.525 -8.476 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.205 -7.040 -9.063 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.430 -6.134 -7.742 1.00 0.00 H new ATOM 842 N HIS A 53 1.410 -2.371 -10.164 1.00 0.00 N ATOM 843 CA HIS A 53 0.714 -1.274 -10.815 1.00 0.00 C ATOM 844 C HIS A 53 -0.748 -1.660 -11.050 1.00 0.00 C ATOM 845 O HIS A 53 -1.330 -1.310 -12.075 1.00 0.00 O ATOM 846 CB HIS A 53 1.432 -0.862 -12.101 1.00 0.00 C ATOM 847 CG HIS A 53 1.126 0.546 -12.552 1.00 0.00 C ATOM 848 ND1 HIS A 53 1.266 1.646 -11.722 1.00 0.00 N ATOM 849 CD2 HIS A 53 0.689 1.023 -13.752 1.00 0.00 C ATOM 850 CE1 HIS A 53 0.924 2.729 -12.403 1.00 0.00 C ATOM 851 NE2 HIS A 53 0.567 2.342 -13.661 1.00 0.00 N ATOM 0 H HIS A 53 1.609 -2.222 -9.175 1.00 0.00 H new ATOM 0 HA HIS A 53 0.722 -0.398 -10.166 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.507 -0.959 -11.951 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.157 -1.555 -12.896 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.478 0.428 -14.629 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.927 3.742 -12.028 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.257 2.963 -14.408 1.00 0.00 H new ATOM 859 N GLU A 54 -1.300 -2.377 -10.081 1.00 0.00 N ATOM 860 CA GLU A 54 -2.682 -2.816 -10.169 1.00 0.00 C ATOM 861 C GLU A 54 -3.354 -2.730 -8.796 1.00 0.00 C ATOM 862 O GLU A 54 -2.676 -2.691 -7.770 1.00 0.00 O ATOM 863 CB GLU A 54 -2.772 -4.233 -10.736 1.00 0.00 C ATOM 864 CG GLU A 54 -2.282 -5.265 -9.718 1.00 0.00 C ATOM 865 CD GLU A 54 -3.458 -6.011 -9.084 1.00 0.00 C ATOM 866 OE1 GLU A 54 -4.352 -6.420 -9.855 1.00 0.00 O ATOM 867 OE2 GLU A 54 -3.434 -6.157 -7.843 1.00 0.00 O ATOM 0 H GLU A 54 -0.815 -2.664 -9.231 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.211 -2.153 -10.853 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.803 -4.452 -11.014 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.175 -4.303 -11.646 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.617 -5.976 -10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.701 -4.768 -8.941 1.00 0.00 H new ATOM 874 N THR A 55 -4.678 -2.703 -8.821 1.00 0.00 N ATOM 875 CA THR A 55 -5.449 -2.624 -7.594 1.00 0.00 C ATOM 876 C THR A 55 -6.124 -3.965 -7.298 1.00 0.00 C ATOM 877 O THR A 55 -6.693 -4.587 -8.194 1.00 0.00 O ATOM 878 CB THR A 55 -6.436 -1.463 -7.729 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.587 -0.978 -6.398 1.00 0.00 O ATOM 880 CG2 THR A 55 -7.841 -1.932 -8.116 1.00 0.00 C ATOM 0 H THR A 55 -5.237 -2.735 -9.674 1.00 0.00 H new ATOM 0 HA THR A 55 -4.806 -2.425 -6.737 1.00 0.00 H new ATOM 0 HB THR A 55 -6.069 -0.759 -8.476 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.394 -1.699 -5.763 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.503 -1.070 -8.199 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.800 -2.451 -9.073 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.222 -2.609 -7.352 1.00 0.00 H new ATOM 888 N ALA A 56 -6.039 -4.370 -6.039 1.00 0.00 N ATOM 889 CA ALA A 56 -6.634 -5.625 -5.616 1.00 0.00 C ATOM 890 C ALA A 56 -7.449 -5.394 -4.340 1.00 0.00 C ATOM 891 O ALA A 56 -7.271 -4.383 -3.662 1.00 0.00 O ATOM 892 CB ALA A 56 -5.536 -6.672 -5.425 1.00 0.00 C ATOM 0 H ALA A 56 -5.567 -3.851 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.315 -6.003 -6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.983 -7.614 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.007 -6.820 -6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.834 -6.329 -4.665 1.00 0.00 H new ATOM 898 N PHE A 57 -8.324 -6.347 -4.054 1.00 0.00 N ATOM 899 CA PHE A 57 -9.164 -6.261 -2.872 1.00 0.00 C ATOM 900 C PHE A 57 -8.407 -6.720 -1.625 1.00 0.00 C ATOM 901 O PHE A 57 -7.853 -7.817 -1.599 1.00 0.00 O ATOM 902 CB PHE A 57 -10.356 -7.191 -3.103 1.00 0.00 C ATOM 903 CG PHE A 57 -10.089 -8.650 -2.722 1.00 0.00 C ATOM 904 CD1 PHE A 57 -9.358 -9.444 -3.548 1.00 0.00 C ATOM 905 CD2 PHE A 57 -10.585 -9.150 -1.560 1.00 0.00 C ATOM 906 CE1 PHE A 57 -9.110 -10.797 -3.197 1.00 0.00 C ATOM 907 CE2 PHE A 57 -10.337 -10.503 -1.207 1.00 0.00 C ATOM 908 CZ PHE A 57 -9.606 -11.298 -2.032 1.00 0.00 C ATOM 0 H PHE A 57 -8.469 -7.183 -4.621 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.477 -5.229 -2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.206 -6.825 -2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.640 -7.147 -4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.966 -9.045 -4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.168 -8.519 -0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.529 -11.428 -3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.729 -10.900 -0.283 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.418 -12.327 -1.764 1.00 0.00 H new ATOM 918 N LEU A 58 -8.407 -5.857 -0.620 1.00 0.00 N ATOM 919 CA LEU A 58 -7.727 -6.160 0.628 1.00 0.00 C ATOM 920 C LEU A 58 -8.413 -5.414 1.773 1.00 0.00 C ATOM 921 O LEU A 58 -9.367 -4.669 1.550 1.00 0.00 O ATOM 922 CB LEU A 58 -6.231 -5.861 0.508 1.00 0.00 C ATOM 923 CG LEU A 58 -5.454 -6.710 -0.499 1.00 0.00 C ATOM 924 CD1 LEU A 58 -4.038 -6.169 -0.696 1.00 0.00 C ATOM 925 CD2 LEU A 58 -5.454 -8.184 -0.088 1.00 0.00 C ATOM 0 H LEU A 58 -8.867 -4.947 -0.644 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.800 -7.224 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.111 -4.812 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.775 -5.990 1.490 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.959 -6.645 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.508 -6.791 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.088 -5.146 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.507 -6.184 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.895 -8.766 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.987 -8.289 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.480 -8.549 -0.041 1.00 0.00 H new ATOM 937 N GLY A 59 -7.904 -5.639 2.976 1.00 0.00 N ATOM 938 CA GLY A 59 -8.456 -4.998 4.154 1.00 0.00 C ATOM 939 C GLY A 59 -7.359 -4.319 4.974 1.00 0.00 C ATOM 940 O GLY A 59 -6.317 -3.948 4.436 1.00 0.00 O ATOM 0 H GLY A 59 -7.114 -6.258 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.201 -4.260 3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.969 -5.738 4.768 1.00 0.00 H new ATOM 944 N PRO A 60 -7.636 -4.169 6.298 1.00 0.00 N ATOM 945 CA PRO A 60 -6.685 -3.540 7.196 1.00 0.00 C ATOM 946 C PRO A 60 -5.522 -4.483 7.512 1.00 0.00 C ATOM 947 O PRO A 60 -4.369 -4.057 7.558 1.00 0.00 O ATOM 948 CB PRO A 60 -7.496 -3.164 8.427 1.00 0.00 C ATOM 949 CG PRO A 60 -8.758 -4.007 8.367 1.00 0.00 C ATOM 950 CD PRO A 60 -8.861 -4.596 6.969 1.00 0.00 C ATOM 0 HA PRO A 60 -6.215 -2.659 6.760 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.936 -3.364 9.340 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.736 -2.101 8.427 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.723 -4.800 9.114 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.634 -3.398 8.590 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.937 -5.683 7.001 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.746 -4.230 6.449 1.00 0.00 H new ATOM 958 N LYS A 61 -5.866 -5.745 7.720 1.00 0.00 N ATOM 959 CA LYS A 61 -4.864 -6.751 8.029 1.00 0.00 C ATOM 960 C LYS A 61 -3.832 -6.802 6.901 1.00 0.00 C ATOM 961 O LYS A 61 -2.629 -6.781 7.156 1.00 0.00 O ATOM 962 CB LYS A 61 -5.530 -8.100 8.315 1.00 0.00 C ATOM 963 CG LYS A 61 -4.484 -9.204 8.478 1.00 0.00 C ATOM 964 CD LYS A 61 -4.201 -9.479 9.955 1.00 0.00 C ATOM 965 CE LYS A 61 -3.357 -10.744 10.126 1.00 0.00 C ATOM 966 NZ LYS A 61 -3.142 -11.033 11.562 1.00 0.00 N ATOM 0 H LYS A 61 -6.824 -6.094 7.681 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.327 -6.486 8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.132 -8.028 9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.209 -8.354 7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.835 -10.116 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.562 -8.913 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.680 -8.628 10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.142 -9.589 10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.856 -11.588 9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.396 -10.618 9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.568 -11.894 11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.647 -10.234 12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.060 -11.174 12.029 1.00 0.00 H new ATOM 980 N ASP A 62 -4.341 -6.867 5.680 1.00 0.00 N ATOM 981 CA ASP A 62 -3.478 -6.921 4.512 1.00 0.00 C ATOM 982 C ASP A 62 -2.538 -5.714 4.523 1.00 0.00 C ATOM 983 O ASP A 62 -1.412 -5.795 4.031 1.00 0.00 O ATOM 984 CB ASP A 62 -4.296 -6.872 3.221 1.00 0.00 C ATOM 985 CG ASP A 62 -4.953 -8.193 2.819 1.00 0.00 C ATOM 986 OD1 ASP A 62 -4.195 -9.109 2.433 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.198 -8.259 2.908 1.00 0.00 O ATOM 0 H ASP A 62 -5.340 -6.884 5.474 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.918 -7.855 4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.073 -6.116 3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.646 -6.546 2.409 1.00 0.00 H new ATOM 992 N LEU A 63 -3.031 -4.624 5.088 1.00 0.00 N ATOM 993 CA LEU A 63 -2.249 -3.401 5.170 1.00 0.00 C ATOM 994 C LEU A 63 -1.481 -3.380 6.493 1.00 0.00 C ATOM 995 O LEU A 63 -2.084 -3.370 7.565 1.00 0.00 O ATOM 996 CB LEU A 63 -3.142 -2.178 4.957 1.00 0.00 C ATOM 997 CG LEU A 63 -2.909 -1.393 3.665 1.00 0.00 C ATOM 998 CD1 LEU A 63 -2.427 -2.315 2.542 1.00 0.00 C ATOM 999 CD2 LEU A 63 -4.160 -0.608 3.264 1.00 0.00 C ATOM 0 H LEU A 63 -3.964 -4.561 5.495 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.509 -3.368 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.182 -2.504 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.004 -1.501 5.800 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.118 -0.665 3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.269 -1.732 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.490 -2.788 2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.178 -3.082 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.966 -0.060 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.988 -1.299 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.418 0.094 4.056 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.161 -3.372 6.375 1.00 0.00 N ATOM 1012 CA PHE A 64 0.695 -3.352 7.548 1.00 0.00 C ATOM 1013 C PHE A 64 1.645 -2.154 7.512 1.00 0.00 C ATOM 1014 O PHE A 64 2.210 -1.836 6.467 1.00 0.00 O ATOM 1015 CB PHE A 64 1.517 -4.641 7.524 1.00 0.00 C ATOM 1016 CG PHE A 64 1.181 -5.616 8.653 1.00 0.00 C ATOM 1017 CD1 PHE A 64 0.096 -6.430 8.548 1.00 0.00 C ATOM 1018 CD2 PHE A 64 1.966 -5.670 9.762 1.00 0.00 C ATOM 1019 CE1 PHE A 64 -0.217 -7.334 9.598 1.00 0.00 C ATOM 1020 CE2 PHE A 64 1.653 -6.575 10.811 1.00 0.00 C ATOM 1021 CZ PHE A 64 0.569 -7.388 10.707 1.00 0.00 C ATOM 0 H PHE A 64 0.336 -3.379 5.484 1.00 0.00 H new ATOM 0 HA PHE A 64 0.088 -3.274 8.450 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.361 -5.141 6.568 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.575 -4.386 7.582 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.527 -6.389 7.667 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.828 -5.024 9.845 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.079 -7.979 9.516 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.277 -6.617 11.692 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.332 -8.077 11.504 1.00 0.00 H new ATOM 1031 N PRO A 65 1.797 -1.504 8.698 1.00 0.00 N ATOM 1032 CA PRO A 65 2.669 -0.348 8.812 1.00 0.00 C ATOM 1033 C PRO A 65 4.140 -0.769 8.816 1.00 0.00 C ATOM 1034 O PRO A 65 4.450 -1.955 8.914 1.00 0.00 O ATOM 1035 CB PRO A 65 2.245 0.339 10.100 1.00 0.00 C ATOM 1036 CG PRO A 65 1.474 -0.702 10.893 1.00 0.00 C ATOM 1037 CD PRO A 65 1.144 -1.852 9.956 1.00 0.00 C ATOM 0 HA PRO A 65 2.579 0.332 7.965 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.112 0.692 10.658 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.624 1.210 9.892 1.00 0.00 H new ATOM 0 HG2 PRO A 65 2.067 -1.055 11.737 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.561 -0.270 11.303 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.515 -2.800 10.346 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.067 -1.961 9.826 1.00 0.00 H new ATOM 1045 N TYR A 66 5.007 0.226 8.705 1.00 0.00 N ATOM 1046 CA TYR A 66 6.438 -0.026 8.694 1.00 0.00 C ATOM 1047 C TYR A 66 6.940 -0.401 10.091 1.00 0.00 C ATOM 1048 O TYR A 66 7.831 -1.237 10.230 1.00 0.00 O ATOM 1049 CB TYR A 66 7.095 1.289 8.266 1.00 0.00 C ATOM 1050 CG TYR A 66 8.549 1.433 8.718 1.00 0.00 C ATOM 1051 CD1 TYR A 66 9.567 0.920 7.942 1.00 0.00 C ATOM 1052 CD2 TYR A 66 8.843 2.076 9.904 1.00 0.00 C ATOM 1053 CE1 TYR A 66 10.937 1.057 8.368 1.00 0.00 C ATOM 1054 CE2 TYR A 66 10.211 2.213 10.330 1.00 0.00 C ATOM 1055 CZ TYR A 66 11.191 1.697 9.540 1.00 0.00 C ATOM 1056 OH TYR A 66 12.484 1.826 9.942 1.00 0.00 O ATOM 0 H TYR A 66 4.746 1.209 8.622 1.00 0.00 H new ATOM 0 HA TYR A 66 6.677 -0.851 8.023 1.00 0.00 H new ATOM 0 HB2 TYR A 66 7.053 1.367 7.180 1.00 0.00 H new ATOM 0 HB3 TYR A 66 6.516 2.120 8.668 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.338 0.416 7.015 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.046 2.477 10.513 1.00 0.00 H new ATOM 0 HE1 TYR A 66 11.744 0.660 7.770 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.454 2.714 11.255 1.00 0.00 H new ATOM 0 HH TYR A 66 12.515 2.305 10.796 1.00 0.00 H new ATOM 1066 N GLU A 67 6.345 0.235 11.088 1.00 0.00 N ATOM 1067 CA GLU A 67 6.718 -0.023 12.469 1.00 0.00 C ATOM 1068 C GLU A 67 6.587 -1.514 12.785 1.00 0.00 C ATOM 1069 O GLU A 67 7.503 -2.115 13.347 1.00 0.00 O ATOM 1070 CB GLU A 67 5.879 0.819 13.431 1.00 0.00 C ATOM 1071 CG GLU A 67 6.698 1.972 14.012 1.00 0.00 C ATOM 1072 CD GLU A 67 6.254 2.296 15.439 1.00 0.00 C ATOM 1073 OE1 GLU A 67 5.026 2.410 15.641 1.00 0.00 O ATOM 1074 OE2 GLU A 67 7.153 2.424 16.299 1.00 0.00 O ATOM 0 H GLU A 67 5.607 0.929 10.968 1.00 0.00 H new ATOM 0 HA GLU A 67 7.761 0.266 12.603 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.008 1.215 12.908 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.507 0.190 14.240 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.756 1.710 14.007 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.586 2.855 13.383 1.00 0.00 H new ATOM 1081 N GLU A 68 5.443 -2.066 12.414 1.00 0.00 N ATOM 1082 CA GLU A 68 5.180 -3.476 12.651 1.00 0.00 C ATOM 1083 C GLU A 68 6.001 -4.339 11.690 1.00 0.00 C ATOM 1084 O GLU A 68 6.650 -5.295 12.108 1.00 0.00 O ATOM 1085 CB GLU A 68 3.688 -3.784 12.525 1.00 0.00 C ATOM 1086 CG GLU A 68 2.986 -3.663 13.880 1.00 0.00 C ATOM 1087 CD GLU A 68 1.621 -2.987 13.733 1.00 0.00 C ATOM 1088 OE1 GLU A 68 1.598 -1.739 13.786 1.00 0.00 O ATOM 1089 OE2 GLU A 68 0.633 -3.735 13.573 1.00 0.00 O ATOM 0 H GLU A 68 4.686 -1.563 11.951 1.00 0.00 H new ATOM 0 HA GLU A 68 5.482 -3.715 13.671 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.231 -3.098 11.812 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.553 -4.791 12.130 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.860 -4.653 14.318 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.608 -3.088 14.566 1.00 0.00 H new ATOM 1096 N SER A 69 5.946 -3.967 10.419 1.00 0.00 N ATOM 1097 CA SER A 69 6.676 -4.695 9.395 1.00 0.00 C ATOM 1098 C SER A 69 8.144 -4.836 9.800 1.00 0.00 C ATOM 1099 O SER A 69 8.692 -5.938 9.787 1.00 0.00 O ATOM 1100 CB SER A 69 6.564 -3.998 8.038 1.00 0.00 C ATOM 1101 OG SER A 69 6.790 -4.896 6.956 1.00 0.00 O ATOM 0 H SER A 69 5.408 -3.172 10.076 1.00 0.00 H new ATOM 0 HA SER A 69 6.235 -5.687 9.300 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.574 -3.554 7.939 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.285 -3.182 7.989 1.00 0.00 H new ATOM 0 HG SER A 69 6.708 -4.413 6.107 1.00 0.00 H new ATOM 1107 N LYS A 70 8.739 -3.705 10.148 1.00 0.00 N ATOM 1108 CA LYS A 70 10.135 -3.689 10.556 1.00 0.00 C ATOM 1109 C LYS A 70 10.288 -4.466 11.865 1.00 0.00 C ATOM 1110 O LYS A 70 11.354 -5.013 12.145 1.00 0.00 O ATOM 1111 CB LYS A 70 10.654 -2.253 10.630 1.00 0.00 C ATOM 1112 CG LYS A 70 10.655 -1.742 12.073 1.00 0.00 C ATOM 1113 CD LYS A 70 10.744 -0.216 12.116 1.00 0.00 C ATOM 1114 CE LYS A 70 11.226 0.267 13.485 1.00 0.00 C ATOM 1115 NZ LYS A 70 10.117 0.897 14.233 1.00 0.00 N ATOM 0 H LYS A 70 8.281 -2.793 10.156 1.00 0.00 H new ATOM 0 HA LYS A 70 10.755 -4.190 9.813 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.664 -2.207 10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.032 -1.606 10.012 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.747 -2.071 12.579 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.497 -2.174 12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.427 0.134 11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.767 0.215 11.898 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.625 -0.573 14.054 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.039 0.982 13.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.418 1.081 15.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.856 1.794 13.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.295 0.260 14.238 1.00 0.00 H new ATOM 1129 N GLU A 71 9.207 -4.492 12.630 1.00 0.00 N ATOM 1130 CA GLU A 71 9.209 -5.193 13.903 1.00 0.00 C ATOM 1131 C GLU A 71 9.604 -6.658 13.702 1.00 0.00 C ATOM 1132 O GLU A 71 10.367 -7.213 14.491 1.00 0.00 O ATOM 1133 CB GLU A 71 7.847 -5.083 14.592 1.00 0.00 C ATOM 1134 CG GLU A 71 7.984 -5.238 16.108 1.00 0.00 C ATOM 1135 CD GLU A 71 7.069 -4.258 16.844 1.00 0.00 C ATOM 1136 OE1 GLU A 71 7.356 -3.045 16.766 1.00 0.00 O ATOM 1137 OE2 GLU A 71 6.101 -4.745 17.468 1.00 0.00 O ATOM 0 H GLU A 71 8.324 -4.039 12.393 1.00 0.00 H new ATOM 0 HA GLU A 71 9.948 -4.723 14.553 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.396 -4.118 14.361 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.176 -5.850 14.204 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.736 -6.259 16.397 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.019 -5.066 16.403 1.00 0.00 H new ATOM 1144 N LYS A 72 9.068 -7.242 12.640 1.00 0.00 N ATOM 1145 CA LYS A 72 9.354 -8.631 12.325 1.00 0.00 C ATOM 1146 C LYS A 72 10.364 -8.690 11.178 1.00 0.00 C ATOM 1147 O LYS A 72 11.450 -9.248 11.330 1.00 0.00 O ATOM 1148 CB LYS A 72 8.059 -9.395 12.043 1.00 0.00 C ATOM 1149 CG LYS A 72 8.355 -10.806 11.530 1.00 0.00 C ATOM 1150 CD LYS A 72 8.966 -11.672 12.632 1.00 0.00 C ATOM 1151 CE LYS A 72 10.483 -11.790 12.461 1.00 0.00 C ATOM 1152 NZ LYS A 72 10.919 -13.190 12.654 1.00 0.00 N ATOM 0 H LYS A 72 8.437 -6.778 11.987 1.00 0.00 H new ATOM 0 HA LYS A 72 9.811 -9.129 13.180 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.461 -9.453 12.953 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.466 -8.853 11.306 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.435 -11.266 11.169 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.039 -10.753 10.683 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.739 -11.240 13.607 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.516 -12.665 12.611 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.771 -11.447 11.467 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.987 -11.144 13.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.950 -13.252 12.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.662 -13.505 13.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.452 -13.799 11.952 1.00 0.00 H new ATOM 1166 N PHE A 73 9.970 -8.109 10.054 1.00 0.00 N ATOM 1167 CA PHE A 73 10.829 -8.089 8.881 1.00 0.00 C ATOM 1168 C PHE A 73 10.991 -6.665 8.344 1.00 0.00 C ATOM 1169 O PHE A 73 12.030 -6.037 8.544 1.00 0.00 O ATOM 1170 CB PHE A 73 10.148 -8.950 7.815 1.00 0.00 C ATOM 1171 CG PHE A 73 8.841 -9.595 8.277 1.00 0.00 C ATOM 1172 CD1 PHE A 73 7.761 -8.820 8.560 1.00 0.00 C ATOM 1173 CD2 PHE A 73 8.760 -10.948 8.406 1.00 0.00 C ATOM 1174 CE1 PHE A 73 6.549 -9.420 8.990 1.00 0.00 C ATOM 1175 CE2 PHE A 73 7.548 -11.548 8.835 1.00 0.00 C ATOM 1176 CZ PHE A 73 6.467 -10.772 9.119 1.00 0.00 C ATOM 0 H PHE A 73 9.068 -7.649 9.930 1.00 0.00 H new ATOM 0 HA PHE A 73 11.819 -8.466 9.137 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.947 -8.333 6.939 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.837 -9.734 7.502 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.825 -7.747 8.458 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.618 -11.564 8.182 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.691 -8.803 9.215 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.483 -12.621 8.936 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.545 -11.229 9.446 1.00 0.00 H new ATOM 1186 N GLY A 74 9.948 -6.198 7.674 1.00 0.00 N ATOM 1187 CA GLY A 74 9.961 -4.860 7.109 1.00 0.00 C ATOM 1188 C GLY A 74 10.683 -4.842 5.759 1.00 0.00 C ATOM 1189 O GLY A 74 10.745 -3.808 5.097 1.00 0.00 O ATOM 0 H GLY A 74 9.089 -6.722 7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.938 -4.504 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.454 -4.175 7.799 1.00 0.00 H new ATOM 1193 N LYS A 75 11.212 -6.000 5.393 1.00 0.00 N ATOM 1194 CA LYS A 75 11.928 -6.132 4.135 1.00 0.00 C ATOM 1195 C LYS A 75 11.454 -7.396 3.414 1.00 0.00 C ATOM 1196 O LYS A 75 11.920 -8.495 3.709 1.00 0.00 O ATOM 1197 CB LYS A 75 13.438 -6.089 4.371 1.00 0.00 C ATOM 1198 CG LYS A 75 13.860 -7.122 5.417 1.00 0.00 C ATOM 1199 CD LYS A 75 14.521 -8.333 4.757 1.00 0.00 C ATOM 1200 CE LYS A 75 15.718 -8.820 5.577 1.00 0.00 C ATOM 1201 NZ LYS A 75 15.345 -10.000 6.388 1.00 0.00 N ATOM 0 H LYS A 75 11.159 -6.856 5.945 1.00 0.00 H new ATOM 0 HA LYS A 75 11.707 -5.289 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.961 -6.280 3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.730 -5.092 4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.553 -6.666 6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.989 -7.445 5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.794 -9.138 4.655 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.848 -8.070 3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.543 -9.075 4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.070 -8.020 6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.169 -10.318 6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.573 -9.746 7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.031 -10.768 5.760 1.00 0.00 H new ATOM 1215 N PRO A 76 10.510 -7.192 2.457 1.00 0.00 N ATOM 1216 CA PRO A 76 9.967 -8.302 1.691 1.00 0.00 C ATOM 1217 C PRO A 76 10.972 -8.787 0.644 1.00 0.00 C ATOM 1218 O PRO A 76 12.038 -8.195 0.480 1.00 0.00 O ATOM 1219 CB PRO A 76 8.683 -7.766 1.078 1.00 0.00 C ATOM 1220 CG PRO A 76 8.792 -6.252 1.140 1.00 0.00 C ATOM 1221 CD PRO A 76 9.934 -5.904 2.080 1.00 0.00 C ATOM 0 HA PRO A 76 9.763 -9.179 2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.569 -8.108 0.049 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.811 -8.118 1.629 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.977 -5.842 0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.858 -5.817 1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.671 -5.269 1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.576 -5.360 2.954 1.00 0.00 H new ATOM 1229 N ASN A 77 10.597 -9.861 -0.036 1.00 0.00 N ATOM 1230 CA ASN A 77 11.452 -10.433 -1.062 1.00 0.00 C ATOM 1231 C ASN A 77 11.928 -9.323 -2.000 1.00 0.00 C ATOM 1232 O ASN A 77 11.119 -8.663 -2.650 1.00 0.00 O ATOM 1233 CB ASN A 77 10.693 -11.466 -1.898 1.00 0.00 C ATOM 1234 CG ASN A 77 10.679 -12.830 -1.206 1.00 0.00 C ATOM 1235 OD1 ASN A 77 10.690 -12.762 0.122 1.00 0.00 O flip ATOM 1236 ND2 ASN A 77 10.660 -13.874 -1.835 1.00 0.00 N flip ATOM 0 H ASN A 77 9.713 -10.350 0.104 1.00 0.00 H new ATOM 0 HA ASN A 77 12.294 -10.917 -0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.670 -11.126 -2.060 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.158 -11.557 -2.879 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.653 -13.855 -2.855 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.652 -14.767 -1.342 1.00 0.00 H new ATOM 1243 N LYS A 78 13.242 -9.150 -2.041 1.00 0.00 N ATOM 1244 CA LYS A 78 13.835 -8.131 -2.889 1.00 0.00 C ATOM 1245 C LYS A 78 13.743 -8.572 -4.351 1.00 0.00 C ATOM 1246 O LYS A 78 14.735 -8.997 -4.941 1.00 0.00 O ATOM 1247 CB LYS A 78 15.262 -7.818 -2.431 1.00 0.00 C ATOM 1248 CG LYS A 78 15.263 -6.771 -1.315 1.00 0.00 C ATOM 1249 CD LYS A 78 14.822 -7.388 0.015 1.00 0.00 C ATOM 1250 CE LYS A 78 16.033 -7.756 0.875 1.00 0.00 C ATOM 1251 NZ LYS A 78 15.949 -9.169 1.310 1.00 0.00 N ATOM 0 H LYS A 78 13.911 -9.698 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 78 13.283 -7.195 -2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.743 -8.731 -2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.847 -7.455 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.262 -6.347 -1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.595 -5.951 -1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.188 -6.684 0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.221 -8.278 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.951 -7.598 0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.080 -7.103 1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.778 -9.403 1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.083 -9.309 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.927 -9.789 0.475 1.00 0.00 H new ATOM 1265 N ARG A 79 12.539 -8.456 -4.896 1.00 0.00 N ATOM 1266 CA ARG A 79 12.303 -8.836 -6.277 1.00 0.00 C ATOM 1267 C ARG A 79 12.378 -7.608 -7.187 1.00 0.00 C ATOM 1268 O ARG A 79 12.682 -6.509 -6.727 1.00 0.00 O ATOM 1269 CB ARG A 79 10.933 -9.500 -6.439 1.00 0.00 C ATOM 1270 CG ARG A 79 10.949 -10.928 -5.889 1.00 0.00 C ATOM 1271 CD ARG A 79 11.404 -11.922 -6.960 1.00 0.00 C ATOM 1272 NE ARG A 79 10.227 -12.577 -7.575 1.00 0.00 N ATOM 1273 CZ ARG A 79 10.246 -13.188 -8.768 1.00 0.00 C ATOM 1274 NH1 ARG A 79 11.380 -13.231 -9.481 1.00 0.00 N ATOM 1275 NH2 ARG A 79 9.131 -13.755 -9.247 1.00 0.00 N ATOM 0 H ARG A 79 11.718 -8.104 -4.404 1.00 0.00 H new ATOM 0 HA ARG A 79 13.076 -9.550 -6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.176 -8.914 -5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.654 -9.515 -7.493 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.617 -10.983 -5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.953 -11.197 -5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.984 -11.405 -7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.058 -12.673 -6.517 1.00 0.00 H new ATOM 0 HE ARG A 79 9.347 -12.562 -7.059 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.229 -12.799 -9.116 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.394 -13.696 -10.389 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.268 -13.722 -8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.145 -14.220 -10.155 1.00 0.00 H new ATOM 1289 N LYS A 80 12.094 -7.838 -8.460 1.00 0.00 N ATOM 1290 CA LYS A 80 12.124 -6.763 -9.438 1.00 0.00 C ATOM 1291 C LYS A 80 11.037 -5.742 -9.102 1.00 0.00 C ATOM 1292 O LYS A 80 11.334 -4.650 -8.619 1.00 0.00 O ATOM 1293 CB LYS A 80 12.023 -7.326 -10.857 1.00 0.00 C ATOM 1294 CG LYS A 80 13.401 -7.726 -11.389 1.00 0.00 C ATOM 1295 CD LYS A 80 13.382 -7.858 -12.913 1.00 0.00 C ATOM 1296 CE LYS A 80 13.324 -6.483 -13.581 1.00 0.00 C ATOM 1297 NZ LYS A 80 14.673 -6.062 -14.020 1.00 0.00 N ATOM 0 H LYS A 80 11.842 -8.752 -8.837 1.00 0.00 H new ATOM 0 HA LYS A 80 13.078 -6.237 -9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.362 -8.193 -10.862 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.577 -6.581 -11.516 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.139 -6.980 -11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.707 -8.672 -10.942 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.272 -8.391 -13.247 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.521 -8.452 -13.220 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.651 -6.516 -14.437 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.917 -5.751 -12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.615 -5.127 -14.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.306 -6.010 -13.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.048 -6.753 -14.702 1.00 0.00 H new ATOM 1311 N GLY A 81 9.800 -6.131 -9.372 1.00 0.00 N ATOM 1312 CA GLY A 81 8.666 -5.264 -9.105 1.00 0.00 C ATOM 1313 C GLY A 81 8.694 -4.754 -7.663 1.00 0.00 C ATOM 1314 O GLY A 81 8.031 -3.771 -7.335 1.00 0.00 O ATOM 0 H GLY A 81 9.558 -7.037 -9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.679 -4.419 -9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.738 -5.807 -9.285 1.00 0.00 H new ATOM 1318 N PHE A 82 9.470 -5.445 -6.840 1.00 0.00 N ATOM 1319 CA PHE A 82 9.593 -5.074 -5.440 1.00 0.00 C ATOM 1320 C PHE A 82 10.449 -3.815 -5.280 1.00 0.00 C ATOM 1321 O PHE A 82 10.191 -2.992 -4.404 1.00 0.00 O ATOM 1322 CB PHE A 82 10.282 -6.239 -4.729 1.00 0.00 C ATOM 1323 CG PHE A 82 11.011 -5.839 -3.443 1.00 0.00 C ATOM 1324 CD1 PHE A 82 12.114 -5.048 -3.505 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.554 -6.278 -2.239 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.791 -4.678 -2.312 1.00 0.00 C ATOM 1327 CE2 PHE A 82 11.230 -5.906 -1.046 1.00 0.00 C ATOM 1328 CZ PHE A 82 12.334 -5.115 -1.108 1.00 0.00 C ATOM 0 H PHE A 82 10.019 -6.259 -7.116 1.00 0.00 H new ATOM 0 HA PHE A 82 8.608 -4.867 -5.021 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.537 -6.998 -4.491 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.997 -6.697 -5.413 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.476 -4.700 -4.461 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.678 -6.908 -2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.668 -4.050 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.867 -6.252 -0.090 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.848 -4.834 -0.201 1.00 0.00 H new ATOM 1338 N SER A 83 11.452 -3.706 -6.141 1.00 0.00 N ATOM 1339 CA SER A 83 12.347 -2.563 -6.105 1.00 0.00 C ATOM 1340 C SER A 83 11.661 -1.342 -6.720 1.00 0.00 C ATOM 1341 O SER A 83 11.525 -0.308 -6.066 1.00 0.00 O ATOM 1342 CB SER A 83 13.654 -2.865 -6.842 1.00 0.00 C ATOM 1343 OG SER A 83 14.715 -2.012 -6.418 1.00 0.00 O ATOM 0 H SER A 83 11.663 -4.391 -6.867 1.00 0.00 H new ATOM 0 HA SER A 83 12.589 -2.350 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.934 -3.904 -6.672 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.501 -2.748 -7.915 1.00 0.00 H new ATOM 0 HG SER A 83 15.532 -2.237 -6.910 1.00 0.00 H new ATOM 1349 N GLU A 84 11.247 -1.501 -7.968 1.00 0.00 N ATOM 1350 CA GLU A 84 10.579 -0.424 -8.678 1.00 0.00 C ATOM 1351 C GLU A 84 9.234 -0.110 -8.022 1.00 0.00 C ATOM 1352 O GLU A 84 8.596 0.889 -8.351 1.00 0.00 O ATOM 1353 CB GLU A 84 10.400 -0.769 -10.157 1.00 0.00 C ATOM 1354 CG GLU A 84 9.070 -1.488 -10.396 1.00 0.00 C ATOM 1355 CD GLU A 84 8.942 -1.938 -11.853 1.00 0.00 C ATOM 1356 OE1 GLU A 84 8.856 -1.038 -12.718 1.00 0.00 O ATOM 1357 OE2 GLU A 84 8.933 -3.168 -12.068 1.00 0.00 O ATOM 0 H GLU A 84 11.361 -2.360 -8.506 1.00 0.00 H new ATOM 0 HA GLU A 84 11.206 0.466 -8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.437 0.142 -10.754 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.224 -1.401 -10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.997 -2.353 -9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.243 -0.824 -10.143 1.00 0.00 H new ATOM 1364 N GLY A 85 8.841 -0.983 -7.104 1.00 0.00 N ATOM 1365 CA GLY A 85 7.582 -0.811 -6.399 1.00 0.00 C ATOM 1366 C GLY A 85 7.739 0.158 -5.226 1.00 0.00 C ATOM 1367 O GLY A 85 7.138 1.230 -5.218 1.00 0.00 O ATOM 0 H GLY A 85 9.372 -1.810 -6.833 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.824 -0.435 -7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.231 -1.776 -6.034 1.00 0.00 H new ATOM 1371 N LEU A 86 8.550 -0.255 -4.263 1.00 0.00 N ATOM 1372 CA LEU A 86 8.794 0.563 -3.086 1.00 0.00 C ATOM 1373 C LEU A 86 9.371 1.912 -3.520 1.00 0.00 C ATOM 1374 O LEU A 86 9.269 2.898 -2.792 1.00 0.00 O ATOM 1375 CB LEU A 86 9.672 -0.189 -2.084 1.00 0.00 C ATOM 1376 CG LEU A 86 11.172 0.105 -2.154 1.00 0.00 C ATOM 1377 CD1 LEU A 86 11.733 -0.239 -3.536 1.00 0.00 C ATOM 1378 CD2 LEU A 86 11.467 1.553 -1.760 1.00 0.00 C ATOM 0 H LEU A 86 9.047 -1.146 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 86 7.860 0.769 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.323 0.044 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.524 -1.259 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 86 11.679 -0.534 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.801 -0.021 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.574 -1.298 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.224 0.357 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.540 1.735 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.947 2.228 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.124 1.730 -0.741 1.00 0.00 H new ATOM 1390 N TRP A 87 9.965 1.912 -4.704 1.00 0.00 N ATOM 1391 CA TRP A 87 10.559 3.124 -5.244 1.00 0.00 C ATOM 1392 C TRP A 87 9.471 3.886 -6.002 1.00 0.00 C ATOM 1393 O TRP A 87 9.526 5.110 -6.108 1.00 0.00 O ATOM 1394 CB TRP A 87 11.777 2.798 -6.110 1.00 0.00 C ATOM 1395 CG TRP A 87 13.002 3.663 -5.811 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.428 4.749 -6.472 1.00 0.00 C ATOM 1397 CD2 TRP A 87 13.951 3.470 -4.740 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.576 5.267 -5.907 1.00 0.00 N ATOM 1399 CE2 TRP A 87 14.905 4.464 -4.821 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.001 2.488 -3.735 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 15.976 4.573 -3.928 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.079 2.609 -2.851 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.046 3.605 -2.919 1.00 0.00 C ATOM 0 H TRP A 87 10.048 1.092 -5.305 1.00 0.00 H new ATOM 0 HA TRP A 87 10.935 3.761 -4.443 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.041 1.750 -5.968 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.507 2.919 -7.159 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.935 5.166 -7.338 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.089 6.088 -6.228 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.265 1.702 -3.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 16.709 5.361 -4.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.166 1.878 -2.061 1.00 0.00 H new ATOM 0 HH2 TRP A 87 16.848 3.632 -2.196 1.00 0.00 H new ATOM 1414 N GLU A 88 8.509 3.131 -6.511 1.00 0.00 N ATOM 1415 CA GLU A 88 7.410 3.720 -7.256 1.00 0.00 C ATOM 1416 C GLU A 88 6.535 4.569 -6.332 1.00 0.00 C ATOM 1417 O GLU A 88 5.837 5.473 -6.788 1.00 0.00 O ATOM 1418 CB GLU A 88 6.582 2.642 -7.957 1.00 0.00 C ATOM 1419 CG GLU A 88 6.938 2.555 -9.443 1.00 0.00 C ATOM 1420 CD GLU A 88 5.899 3.282 -10.299 1.00 0.00 C ATOM 1421 OE1 GLU A 88 4.893 2.626 -10.649 1.00 0.00 O ATOM 1422 OE2 GLU A 88 6.134 4.476 -10.584 1.00 0.00 O ATOM 0 H GLU A 88 8.468 2.116 -6.422 1.00 0.00 H new ATOM 0 HA GLU A 88 7.827 4.369 -8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.757 1.677 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.521 2.864 -7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.923 2.992 -9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.997 1.510 -9.746 1.00 0.00 H new ATOM 1429 N ILE A 89 6.601 4.247 -5.048 1.00 0.00 N ATOM 1430 CA ILE A 89 5.825 4.968 -4.054 1.00 0.00 C ATOM 1431 C ILE A 89 6.718 6.001 -3.366 1.00 0.00 C ATOM 1432 O ILE A 89 6.307 7.142 -3.158 1.00 0.00 O ATOM 1433 CB ILE A 89 5.154 3.992 -3.087 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.717 4.703 -1.803 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.062 2.795 -2.798 1.00 0.00 C ATOM 1436 CD1 ILE A 89 5.919 4.992 -0.901 1.00 0.00 C ATOM 0 H ILE A 89 7.181 3.496 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 89 5.013 5.517 -4.530 1.00 0.00 H new ATOM 0 HB ILE A 89 4.253 3.606 -3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.213 5.636 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.996 4.085 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.561 2.116 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.280 2.271 -3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 89 6.993 3.144 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.582 5.497 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.406 4.055 -0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.626 5.630 -1.431 1.00 0.00 H new ATOM 1448 N GLU A 90 7.923 5.563 -3.029 1.00 0.00 N ATOM 1449 CA GLU A 90 8.878 6.436 -2.367 1.00 0.00 C ATOM 1450 C GLU A 90 9.389 7.499 -3.342 1.00 0.00 C ATOM 1451 O GLU A 90 9.685 8.623 -2.940 1.00 0.00 O ATOM 1452 CB GLU A 90 10.036 5.632 -1.775 1.00 0.00 C ATOM 1453 CG GLU A 90 9.669 5.072 -0.400 1.00 0.00 C ATOM 1454 CD GLU A 90 10.923 4.670 0.380 1.00 0.00 C ATOM 1455 OE1 GLU A 90 11.768 5.565 0.598 1.00 0.00 O ATOM 1456 OE2 GLU A 90 11.007 3.476 0.743 1.00 0.00 O ATOM 0 H GLU A 90 8.259 4.616 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 90 8.371 6.940 -1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.296 4.814 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.918 6.267 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.110 5.819 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.017 4.207 -0.518 1.00 0.00 H new ATOM 1463 N ASN A 91 9.478 7.106 -4.604 1.00 0.00 N ATOM 1464 CA ASN A 91 9.950 8.010 -5.638 1.00 0.00 C ATOM 1465 C ASN A 91 9.011 7.931 -6.844 1.00 0.00 C ATOM 1466 O ASN A 91 9.402 7.452 -7.909 1.00 0.00 O ATOM 1467 CB ASN A 91 11.355 7.628 -6.107 1.00 0.00 C ATOM 1468 CG ASN A 91 12.241 7.243 -4.921 1.00 0.00 C ATOM 1469 OD1 ASN A 91 11.847 6.144 -4.285 1.00 0.00 O flip ATOM 1470 ND2 ASN A 91 13.219 7.900 -4.605 1.00 0.00 N flip ATOM 0 H ASN A 91 9.231 6.173 -4.934 1.00 0.00 H new ATOM 0 HA ASN A 91 9.972 9.017 -5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.295 6.794 -6.807 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.803 8.464 -6.644 1.00 0.00 H new ATOM 0 HD21 ASN A 91 13.466 8.735 -5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 91 13.790 7.615 -3.809 1.00 0.00 H new ATOM 1477 N ASN A 92 7.792 8.406 -6.639 1.00 0.00 N ATOM 1478 CA ASN A 92 6.796 8.394 -7.696 1.00 0.00 C ATOM 1479 C ASN A 92 7.210 9.376 -8.793 1.00 0.00 C ATOM 1480 O ASN A 92 7.556 10.522 -8.508 1.00 0.00 O ATOM 1481 CB ASN A 92 5.426 8.826 -7.167 1.00 0.00 C ATOM 1482 CG ASN A 92 5.552 10.044 -6.250 1.00 0.00 C ATOM 1483 OD1 ASN A 92 4.749 10.009 -5.190 1.00 0.00 O flip ATOM 1484 ND2 ASN A 92 6.327 10.955 -6.488 1.00 0.00 N flip ATOM 0 H ASN A 92 7.471 8.802 -5.756 1.00 0.00 H new ATOM 0 HA ASN A 92 6.729 7.378 -8.084 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.767 9.062 -8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.966 8.002 -6.622 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.916 10.919 -7.320 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.386 11.753 -5.855 1.00 0.00 H new