USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=16 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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 33 MET CE :methyl -126:sc= -1.38 (180deg=-2.2) USER MOD Set 2.2: A 40 SER OG : rot 73:sc= -0.162 USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 23:sc= 0.57 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -175:sc= -1.73 (180deg=-1.82) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -161:sc= -4.1! USER MOD Single : A 25 HIS : no HD1:sc= -6.93 K(o=-6.9,f=-8.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -4.96! C(o=-5!,f=-5.3!) USER MOD Single : A 45 TYR OH : rot -35:sc= -8.46! USER MOD Single : A 46 GLN : amide:sc= -5.4 K(o=-5.4,f=-11!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.94 USER MOD Single : A 53 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.39) USER MOD Single : A 55 THR OG1 : rot 52:sc= 1.12 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 151:sc= -1.08 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00992) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.628 F(o=-5.5!,f=-0.63) 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= -8.26! C(o=-12!,f=-8.3!) USER MOD Single : A 92 ASN : amide:sc= -2.33! C(o=-2.3!,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 10 -5.919 4.791 9.173 1.00 0.00 N ATOM 157 CA TYR A 10 -5.488 5.154 7.835 1.00 0.00 C ATOM 158 C TYR A 10 -6.569 5.960 7.111 1.00 0.00 C ATOM 159 O TYR A 10 -7.732 5.940 7.506 1.00 0.00 O ATOM 160 CB TYR A 10 -5.266 3.836 7.090 1.00 0.00 C ATOM 161 CG TYR A 10 -6.281 2.747 7.437 1.00 0.00 C ATOM 162 CD1 TYR A 10 -7.622 2.947 7.182 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.857 1.564 8.006 1.00 0.00 C ATOM 164 CE1 TYR A 10 -8.579 1.921 7.508 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.813 0.538 8.332 1.00 0.00 C ATOM 166 CZ TYR A 10 -8.127 0.768 8.067 1.00 0.00 C ATOM 167 OH TYR A 10 -9.031 -0.201 8.375 1.00 0.00 O ATOM 0 HA TYR A 10 -4.588 5.767 7.875 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.305 4.026 6.017 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.264 3.469 7.313 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.954 3.873 6.738 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.807 1.407 8.207 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.631 2.065 7.313 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.494 -0.393 8.777 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.787 -0.153 7.753 1.00 0.00 H new ATOM 177 N LYS A 11 -6.144 6.649 6.062 1.00 0.00 N ATOM 178 CA LYS A 11 -7.061 7.460 5.277 1.00 0.00 C ATOM 179 C LYS A 11 -6.581 7.506 3.826 1.00 0.00 C ATOM 180 O LYS A 11 -5.412 7.245 3.546 1.00 0.00 O ATOM 181 CB LYS A 11 -7.232 8.841 5.914 1.00 0.00 C ATOM 182 CG LYS A 11 -8.493 8.895 6.778 1.00 0.00 C ATOM 183 CD LYS A 11 -9.547 9.813 6.156 1.00 0.00 C ATOM 184 CE LYS A 11 -10.502 9.023 5.257 1.00 0.00 C ATOM 185 NZ LYS A 11 -11.553 8.369 6.070 1.00 0.00 N ATOM 0 H LYS A 11 -5.177 6.663 5.737 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.055 7.013 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.359 9.075 6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.289 9.600 5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.902 7.891 6.893 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.239 9.252 7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.112 10.310 6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.057 10.594 5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.960 9.690 4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.946 8.271 4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.193 7.837 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.111 7.718 6.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.094 9.093 6.585 1.00 0.00 H new ATOM 199 N CYS A 12 -7.508 7.840 2.939 1.00 0.00 N ATOM 200 CA CYS A 12 -7.194 7.924 1.524 1.00 0.00 C ATOM 201 C CYS A 12 -5.855 8.647 1.371 1.00 0.00 C ATOM 202 O CYS A 12 -5.652 9.716 1.946 1.00 0.00 O ATOM 203 CB CYS A 12 -8.309 8.616 0.737 1.00 0.00 C ATOM 204 SG CYS A 12 -8.441 10.368 1.247 1.00 0.00 S ATOM 0 H CYS A 12 -8.477 8.056 3.174 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.114 6.920 1.107 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.103 8.554 -0.332 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.257 8.106 0.909 1.00 0.00 H new ATOM 0 HG CYS A 12 -7.312 10.756 1.762 1.00 0.00 H new ATOM 210 N GLY A 13 -4.973 8.035 0.593 1.00 0.00 N ATOM 211 CA GLY A 13 -3.659 8.608 0.357 1.00 0.00 C ATOM 212 C GLY A 13 -2.629 8.040 1.336 1.00 0.00 C ATOM 213 O GLY A 13 -1.490 8.501 1.381 1.00 0.00 O ATOM 0 H GLY A 13 -5.143 7.148 0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.346 8.400 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.707 9.692 0.462 1.00 0.00 H new ATOM 217 N ASP A 14 -3.069 7.047 2.096 1.00 0.00 N ATOM 218 CA ASP A 14 -2.200 6.412 3.071 1.00 0.00 C ATOM 219 C ASP A 14 -1.409 5.293 2.391 1.00 0.00 C ATOM 220 O ASP A 14 -1.886 4.682 1.436 1.00 0.00 O ATOM 221 CB ASP A 14 -3.012 5.791 4.211 1.00 0.00 C ATOM 222 CG ASP A 14 -2.223 4.862 5.136 1.00 0.00 C ATOM 223 OD1 ASP A 14 -1.795 3.798 4.639 1.00 0.00 O ATOM 224 OD2 ASP A 14 -2.066 5.237 6.318 1.00 0.00 O ATOM 0 H ASP A 14 -4.015 6.668 2.056 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.534 7.174 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.443 6.594 4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.843 5.231 3.782 1.00 0.00 H new ATOM 229 N LEU A 15 -0.212 5.057 2.910 1.00 0.00 N ATOM 230 CA LEU A 15 0.650 4.023 2.365 1.00 0.00 C ATOM 231 C LEU A 15 0.933 2.979 3.447 1.00 0.00 C ATOM 232 O LEU A 15 1.126 3.323 4.612 1.00 0.00 O ATOM 233 CB LEU A 15 1.912 4.640 1.760 1.00 0.00 C ATOM 234 CG LEU A 15 2.285 4.165 0.355 1.00 0.00 C ATOM 235 CD1 LEU A 15 1.973 2.676 0.179 1.00 0.00 C ATOM 236 CD2 LEU A 15 1.604 5.023 -0.713 1.00 0.00 C ATOM 0 H LEU A 15 0.180 5.565 3.703 1.00 0.00 H new ATOM 0 HA LEU A 15 0.152 3.506 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.786 5.722 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.749 4.432 2.426 1.00 0.00 H new ATOM 0 HG LEU A 15 3.361 4.286 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.247 2.363 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.542 2.097 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.907 2.507 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.886 4.664 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.522 4.957 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.918 6.061 -0.601 1.00 0.00 H new ATOM 248 N VAL A 16 0.950 1.723 3.023 1.00 0.00 N ATOM 249 CA VAL A 16 1.207 0.627 3.941 1.00 0.00 C ATOM 250 C VAL A 16 1.590 -0.622 3.144 1.00 0.00 C ATOM 251 O VAL A 16 1.587 -0.602 1.913 1.00 0.00 O ATOM 252 CB VAL A 16 -0.006 0.408 4.847 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.120 1.221 6.138 1.00 0.00 C ATOM 254 CG2 VAL A 16 -1.307 0.743 4.114 1.00 0.00 C ATOM 0 H VAL A 16 0.790 1.441 2.056 1.00 0.00 H new ATOM 0 HA VAL A 16 2.046 0.866 4.595 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.036 -0.648 5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.755 1.047 6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.017 0.914 6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.188 2.281 5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.153 0.578 4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.290 1.787 3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.406 0.103 3.238 1.00 0.00 H new ATOM 264 N PHE A 17 1.912 -1.677 3.876 1.00 0.00 N ATOM 265 CA PHE A 17 2.297 -2.932 3.253 1.00 0.00 C ATOM 266 C PHE A 17 1.086 -3.851 3.078 1.00 0.00 C ATOM 267 O PHE A 17 0.521 -4.334 4.059 1.00 0.00 O ATOM 268 CB PHE A 17 3.303 -3.605 4.188 1.00 0.00 C ATOM 269 CG PHE A 17 4.736 -3.618 3.654 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.010 -4.201 2.455 1.00 0.00 C ATOM 271 CD2 PHE A 17 5.737 -3.048 4.377 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.341 -4.213 1.960 1.00 0.00 C ATOM 273 CE2 PHE A 17 7.068 -3.060 3.881 1.00 0.00 C ATOM 274 CZ PHE A 17 7.341 -3.642 2.682 1.00 0.00 C ATOM 0 H PHE A 17 1.914 -1.689 4.896 1.00 0.00 H new ATOM 0 HA PHE A 17 2.722 -2.744 2.267 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.289 -3.092 5.150 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.984 -4.631 4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.216 -4.654 1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.520 -2.586 5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.559 -4.676 1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.863 -2.607 4.455 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.353 -3.650 2.304 1.00 0.00 H new ATOM 284 N ALA A 18 0.723 -4.066 1.822 1.00 0.00 N ATOM 285 CA ALA A 18 -0.409 -4.919 1.506 1.00 0.00 C ATOM 286 C ALA A 18 0.101 -6.262 0.979 1.00 0.00 C ATOM 287 O ALA A 18 0.979 -6.304 0.119 1.00 0.00 O ATOM 288 CB ALA A 18 -1.320 -4.208 0.503 1.00 0.00 C ATOM 0 H ALA A 18 1.193 -3.664 1.011 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.000 -5.118 2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.170 -4.848 0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.679 -3.274 0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.761 -3.994 -0.408 1.00 0.00 H new ATOM 294 N LYS A 19 -0.474 -7.328 1.517 1.00 0.00 N ATOM 295 CA LYS A 19 -0.089 -8.670 1.112 1.00 0.00 C ATOM 296 C LYS A 19 -1.269 -9.343 0.407 1.00 0.00 C ATOM 297 O LYS A 19 -2.418 -9.172 0.812 1.00 0.00 O ATOM 298 CB LYS A 19 0.443 -9.459 2.309 1.00 0.00 C ATOM 299 CG LYS A 19 1.499 -10.478 1.870 1.00 0.00 C ATOM 300 CD LYS A 19 2.503 -10.745 2.993 1.00 0.00 C ATOM 301 CE LYS A 19 3.177 -12.106 2.810 1.00 0.00 C ATOM 302 NZ LYS A 19 4.444 -12.163 3.572 1.00 0.00 N ATOM 0 H LYS A 19 -1.203 -7.290 2.229 1.00 0.00 H new ATOM 0 HA LYS A 19 0.732 -8.631 0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.875 -8.773 3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.380 -9.974 2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.013 -11.410 1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.023 -10.107 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.258 -9.959 3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.994 -10.713 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.508 -12.898 3.146 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.374 -12.282 1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.889 -13.093 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.087 -11.419 3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.248 -12.016 4.583 1.00 0.00 H new ATOM 316 N MET A 20 -0.944 -10.097 -0.633 1.00 0.00 N ATOM 317 CA MET A 20 -1.962 -10.796 -1.397 1.00 0.00 C ATOM 318 C MET A 20 -1.628 -12.284 -1.524 1.00 0.00 C ATOM 319 O MET A 20 -0.466 -12.674 -1.409 1.00 0.00 O ATOM 320 CB MET A 20 -2.070 -10.178 -2.793 1.00 0.00 C ATOM 321 CG MET A 20 -3.470 -10.379 -3.374 1.00 0.00 C ATOM 322 SD MET A 20 -4.091 -8.834 -4.021 1.00 0.00 S ATOM 323 CE MET A 20 -2.796 -8.445 -5.187 1.00 0.00 C ATOM 0 H MET A 20 0.010 -10.239 -0.964 1.00 0.00 H new ATOM 0 HA MET A 20 -2.912 -10.698 -0.872 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.843 -9.113 -2.742 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.330 -10.630 -3.453 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.440 -11.128 -4.165 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.142 -10.756 -2.603 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.979 -7.462 -5.620 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.834 -8.442 -4.675 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.783 -9.193 -5.979 1.00 0.00 H new ATOM 333 N LYS A 21 -2.666 -13.074 -1.755 1.00 0.00 N ATOM 334 CA LYS A 21 -2.496 -14.510 -1.898 1.00 0.00 C ATOM 335 C LYS A 21 -1.495 -14.792 -3.020 1.00 0.00 C ATOM 336 O LYS A 21 -1.717 -14.404 -4.166 1.00 0.00 O ATOM 337 CB LYS A 21 -3.851 -15.193 -2.096 1.00 0.00 C ATOM 338 CG LYS A 21 -3.695 -16.713 -2.164 1.00 0.00 C ATOM 339 CD LYS A 21 -4.370 -17.388 -0.968 1.00 0.00 C ATOM 340 CE LYS A 21 -5.630 -18.141 -1.404 1.00 0.00 C ATOM 341 NZ LYS A 21 -6.775 -17.775 -0.540 1.00 0.00 N ATOM 0 H LYS A 21 -3.628 -12.747 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.080 -14.937 -0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.518 -14.929 -1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.314 -14.830 -3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.132 -17.086 -3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.637 -16.973 -2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.673 -18.080 -0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.630 -16.638 -0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.861 -17.906 -2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.456 -19.216 -1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.622 -18.294 -0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.558 -18.021 0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.950 -16.752 -0.611 1.00 0.00 H new ATOM 355 N GLY A 22 -0.416 -15.466 -2.652 1.00 0.00 N ATOM 356 CA GLY A 22 0.620 -15.806 -3.613 1.00 0.00 C ATOM 357 C GLY A 22 1.610 -14.652 -3.781 1.00 0.00 C ATOM 358 O GLY A 22 2.712 -14.846 -4.291 1.00 0.00 O ATOM 0 H GLY A 22 -0.236 -15.786 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.150 -16.699 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.165 -16.043 -4.575 1.00 0.00 H new ATOM 362 N TYR A 23 1.182 -13.478 -3.343 1.00 0.00 N ATOM 363 CA TYR A 23 2.018 -12.293 -3.438 1.00 0.00 C ATOM 364 C TYR A 23 2.555 -11.889 -2.064 1.00 0.00 C ATOM 365 O TYR A 23 1.793 -11.764 -1.107 1.00 0.00 O ATOM 366 CB TYR A 23 1.112 -11.179 -3.966 1.00 0.00 C ATOM 367 CG TYR A 23 1.842 -10.130 -4.808 1.00 0.00 C ATOM 368 CD1 TYR A 23 2.208 -10.421 -6.106 1.00 0.00 C ATOM 369 CD2 TYR A 23 2.133 -8.893 -4.270 1.00 0.00 C ATOM 370 CE1 TYR A 23 2.894 -9.434 -6.899 1.00 0.00 C ATOM 371 CE2 TYR A 23 2.819 -7.906 -5.063 1.00 0.00 C ATOM 372 CZ TYR A 23 3.166 -8.226 -6.338 1.00 0.00 C ATOM 373 OH TYR A 23 3.815 -7.293 -7.087 1.00 0.00 O ATOM 0 H TYR A 23 0.267 -13.321 -2.921 1.00 0.00 H new ATOM 0 HA TYR A 23 2.874 -12.479 -4.087 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.318 -11.624 -4.566 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.633 -10.683 -3.122 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.980 -11.389 -6.527 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.846 -8.665 -3.254 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.186 -9.649 -7.916 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.052 -6.934 -4.654 1.00 0.00 H new ATOM 0 HH TYR A 23 4.211 -6.618 -6.497 1.00 0.00 H new ATOM 383 N PRO A 24 3.900 -11.691 -2.008 1.00 0.00 N ATOM 384 CA PRO A 24 4.547 -11.304 -0.767 1.00 0.00 C ATOM 385 C PRO A 24 4.284 -9.831 -0.446 1.00 0.00 C ATOM 386 O PRO A 24 3.970 -9.045 -1.338 1.00 0.00 O ATOM 387 CB PRO A 24 6.022 -11.610 -0.980 1.00 0.00 C ATOM 388 CG PRO A 24 6.211 -11.718 -2.485 1.00 0.00 C ATOM 389 CD PRO A 24 4.835 -11.831 -3.121 1.00 0.00 C ATOM 0 HA PRO A 24 4.160 -11.848 0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.649 -10.822 -0.563 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.304 -12.538 -0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.737 -10.843 -2.867 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.818 -12.589 -2.732 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.679 -11.054 -3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.709 -12.789 -3.626 1.00 0.00 H new ATOM 397 N HIS A 25 4.419 -9.503 0.830 1.00 0.00 N ATOM 398 CA HIS A 25 4.199 -8.140 1.279 1.00 0.00 C ATOM 399 C HIS A 25 4.771 -7.161 0.252 1.00 0.00 C ATOM 400 O HIS A 25 5.971 -7.164 -0.010 1.00 0.00 O ATOM 401 CB HIS A 25 4.775 -7.930 2.682 1.00 0.00 C ATOM 402 CG HIS A 25 3.737 -7.600 3.729 1.00 0.00 C ATOM 403 ND1 HIS A 25 2.524 -7.011 3.422 1.00 0.00 N ATOM 404 CD2 HIS A 25 3.746 -7.785 5.081 1.00 0.00 C ATOM 405 CE1 HIS A 25 1.840 -6.852 4.546 1.00 0.00 C ATOM 406 NE2 HIS A 25 2.600 -7.332 5.572 1.00 0.00 N ATOM 0 H HIS A 25 4.678 -10.158 1.567 1.00 0.00 H new ATOM 0 HA HIS A 25 3.129 -7.948 1.355 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.307 -8.832 2.984 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.509 -7.125 2.646 1.00 0.00 H new ATOM 0 HD2 HIS A 25 4.549 -8.225 5.654 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.855 -6.419 4.634 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.331 -7.341 6.556 1.00 0.00 H new ATOM 414 N TRP A 26 3.883 -6.348 -0.302 1.00 0.00 N ATOM 415 CA TRP A 26 4.283 -5.369 -1.296 1.00 0.00 C ATOM 416 C TRP A 26 3.723 -4.009 -0.871 1.00 0.00 C ATOM 417 O TRP A 26 2.731 -3.940 -0.148 1.00 0.00 O ATOM 418 CB TRP A 26 3.831 -5.789 -2.696 1.00 0.00 C ATOM 419 CG TRP A 26 4.958 -5.824 -3.729 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.123 -5.033 -4.798 1.00 0.00 C ATOM 421 CD2 TRP A 26 6.079 -6.734 -3.749 1.00 0.00 C ATOM 422 NE1 TRP A 26 6.262 -5.365 -5.502 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.862 -6.432 -4.843 1.00 0.00 C ATOM 424 CE3 TRP A 26 6.420 -7.778 -2.870 1.00 0.00 C ATOM 425 CZ2 TRP A 26 8.037 -7.126 -5.162 1.00 0.00 C ATOM 426 CZ3 TRP A 26 7.594 -8.462 -3.201 1.00 0.00 C ATOM 427 CH2 TRP A 26 8.394 -8.171 -4.299 1.00 0.00 C ATOM 0 H TRP A 26 2.887 -6.348 -0.080 1.00 0.00 H new ATOM 0 HA TRP A 26 5.369 -5.299 -1.351 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.374 -6.777 -2.638 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.059 -5.101 -3.039 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.449 -4.236 -5.074 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.601 -4.911 -6.350 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.822 -8.031 -2.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.634 -6.870 -6.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.900 -9.274 -2.558 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.288 -8.748 -4.487 1.00 0.00 H new ATOM 438 N PRO A 27 4.403 -2.932 -1.349 1.00 0.00 N ATOM 439 CA PRO A 27 3.984 -1.579 -1.028 1.00 0.00 C ATOM 440 C PRO A 27 2.735 -1.187 -1.821 1.00 0.00 C ATOM 441 O PRO A 27 2.818 -0.897 -3.013 1.00 0.00 O ATOM 442 CB PRO A 27 5.188 -0.708 -1.348 1.00 0.00 C ATOM 443 CG PRO A 27 6.068 -1.537 -2.269 1.00 0.00 C ATOM 444 CD PRO A 27 5.582 -2.975 -2.209 1.00 0.00 C ATOM 0 HA PRO A 27 3.693 -1.466 0.016 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.882 0.220 -1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.724 -0.433 -0.439 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.015 -1.159 -3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.111 -1.473 -1.959 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.335 -3.351 -3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.347 -3.635 -1.800 1.00 0.00 H new ATOM 452 N ALA A 28 1.607 -1.192 -1.126 1.00 0.00 N ATOM 453 CA ALA A 28 0.343 -0.842 -1.750 1.00 0.00 C ATOM 454 C ALA A 28 -0.251 0.376 -1.039 1.00 0.00 C ATOM 455 O ALA A 28 -0.034 0.569 0.155 1.00 0.00 O ATOM 456 CB ALA A 28 -0.595 -2.050 -1.719 1.00 0.00 C ATOM 0 H ALA A 28 1.542 -1.433 -0.137 1.00 0.00 H new ATOM 0 HA ALA A 28 0.493 -0.574 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.543 -1.786 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.140 -2.878 -2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.771 -2.347 -0.685 1.00 0.00 H new ATOM 462 N ARG A 29 -0.990 1.166 -1.806 1.00 0.00 N ATOM 463 CA ARG A 29 -1.617 2.360 -1.264 1.00 0.00 C ATOM 464 C ARG A 29 -3.076 2.077 -0.901 1.00 0.00 C ATOM 465 O ARG A 29 -3.661 1.107 -1.382 1.00 0.00 O ATOM 466 CB ARG A 29 -1.563 3.514 -2.267 1.00 0.00 C ATOM 467 CG ARG A 29 -2.082 4.810 -1.642 1.00 0.00 C ATOM 468 CD ARG A 29 -1.895 5.992 -2.595 1.00 0.00 C ATOM 469 NE ARG A 29 -0.714 6.787 -2.190 1.00 0.00 N ATOM 470 CZ ARG A 29 -0.291 7.882 -2.835 1.00 0.00 C ATOM 471 NH1 ARG A 29 -0.947 8.321 -3.916 1.00 0.00 N ATOM 472 NH2 ARG A 29 0.791 8.541 -2.396 1.00 0.00 N ATOM 0 H ARG A 29 -1.168 1.002 -2.797 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.066 2.646 -0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.538 3.656 -2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.159 3.265 -3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.138 4.701 -1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.554 5.004 -0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.768 5.630 -3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.786 6.620 -2.588 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.190 6.482 -1.369 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.771 7.821 -4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.623 9.155 -4.405 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.291 8.208 -1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.114 9.375 -2.886 1.00 0.00 H new ATOM 486 N ILE A 30 -3.620 2.938 -0.056 1.00 0.00 N ATOM 487 CA ILE A 30 -5.000 2.791 0.377 1.00 0.00 C ATOM 488 C ILE A 30 -5.931 3.362 -0.695 1.00 0.00 C ATOM 489 O ILE A 30 -5.615 4.373 -1.322 1.00 0.00 O ATOM 490 CB ILE A 30 -5.197 3.418 1.759 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.971 2.476 2.683 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.865 4.790 1.648 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.476 2.560 2.417 1.00 0.00 C ATOM 0 H ILE A 30 -3.131 3.740 0.341 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.253 1.737 0.491 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.216 3.573 2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.628 1.452 2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.767 2.732 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.993 5.214 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.239 5.452 1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.839 4.683 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.002 1.880 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.820 3.580 2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.679 2.280 1.383 1.00 0.00 H new ATOM 505 N ASP A 31 -7.057 2.688 -0.875 1.00 0.00 N ATOM 506 CA ASP A 31 -8.035 3.116 -1.861 1.00 0.00 C ATOM 507 C ASP A 31 -9.429 2.664 -1.419 1.00 0.00 C ATOM 508 O ASP A 31 -9.573 1.635 -0.761 1.00 0.00 O ATOM 509 CB ASP A 31 -7.747 2.492 -3.229 1.00 0.00 C ATOM 510 CG ASP A 31 -6.674 3.206 -4.052 1.00 0.00 C ATOM 511 OD1 ASP A 31 -5.564 3.383 -3.505 1.00 0.00 O ATOM 512 OD2 ASP A 31 -6.987 3.559 -5.209 1.00 0.00 O ATOM 0 H ASP A 31 -7.314 1.849 -0.355 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.981 4.202 -1.941 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.441 1.456 -3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.672 2.473 -3.805 1.00 0.00 H new ATOM 517 N GLU A 32 -10.420 3.456 -1.801 1.00 0.00 N ATOM 518 CA GLU A 32 -11.798 3.150 -1.451 1.00 0.00 C ATOM 519 C GLU A 32 -12.541 2.591 -2.667 1.00 0.00 C ATOM 520 O GLU A 32 -12.251 2.964 -3.802 1.00 0.00 O ATOM 521 CB GLU A 32 -12.509 4.386 -0.895 1.00 0.00 C ATOM 522 CG GLU A 32 -13.527 3.994 0.177 1.00 0.00 C ATOM 523 CD GLU A 32 -14.553 5.110 0.391 1.00 0.00 C ATOM 524 OE1 GLU A 32 -15.332 5.353 -0.554 1.00 0.00 O ATOM 525 OE2 GLU A 32 -14.533 5.693 1.497 1.00 0.00 O ATOM 0 H GLU A 32 -10.297 4.308 -2.348 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.795 2.390 -0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.776 5.073 -0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.012 4.916 -1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.037 3.077 -0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.011 3.784 1.114 1.00 0.00 H new ATOM 532 N MET A 33 -13.484 1.704 -2.385 1.00 0.00 N ATOM 533 CA MET A 33 -14.272 1.090 -3.440 1.00 0.00 C ATOM 534 C MET A 33 -15.287 2.080 -4.016 1.00 0.00 C ATOM 535 O MET A 33 -16.010 2.738 -3.270 1.00 0.00 O ATOM 536 CB MET A 33 -15.009 -0.131 -2.883 1.00 0.00 C ATOM 537 CG MET A 33 -15.979 0.276 -1.773 1.00 0.00 C ATOM 538 SD MET A 33 -16.847 -1.162 -1.166 1.00 0.00 S ATOM 539 CE MET A 33 -16.733 -0.872 0.593 1.00 0.00 C ATOM 0 H MET A 33 -13.720 1.396 -1.442 1.00 0.00 H new ATOM 0 HA MET A 33 -13.597 0.785 -4.240 1.00 0.00 H new ATOM 0 HB2 MET A 33 -15.555 -0.628 -3.685 1.00 0.00 H new ATOM 0 HB3 MET A 33 -14.288 -0.850 -2.495 1.00 0.00 H new ATOM 0 HG2 MET A 33 -15.434 0.753 -0.959 1.00 0.00 H new ATOM 0 HG3 MET A 33 -16.692 1.009 -2.152 1.00 0.00 H new ATOM 0 HE1 MET A 33 -16.299 -1.746 1.078 1.00 0.00 H new ATOM 0 HE2 MET A 33 -16.102 -0.003 0.778 1.00 0.00 H new ATOM 0 HE3 MET A 33 -17.729 -0.690 0.997 1.00 0.00 H new ATOM 549 N PRO A 34 -15.308 2.157 -5.374 1.00 0.00 N ATOM 550 CA PRO A 34 -16.223 3.056 -6.057 1.00 0.00 C ATOM 551 C PRO A 34 -17.652 2.510 -6.032 1.00 0.00 C ATOM 552 O PRO A 34 -17.876 1.368 -5.632 1.00 0.00 O ATOM 553 CB PRO A 34 -15.662 3.189 -7.465 1.00 0.00 C ATOM 554 CG PRO A 34 -14.729 2.005 -7.656 1.00 0.00 C ATOM 555 CD PRO A 34 -14.467 1.393 -6.290 1.00 0.00 C ATOM 0 HA PRO A 34 -16.294 4.031 -5.575 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -16.461 3.180 -8.206 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.127 4.131 -7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.177 1.270 -8.324 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.794 2.326 -8.116 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.725 0.334 -6.274 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.414 1.469 -6.018 1.00 0.00 H new ATOM 563 N GLU A 35 -18.581 3.350 -6.461 1.00 0.00 N ATOM 564 CA GLU A 35 -19.981 2.967 -6.491 1.00 0.00 C ATOM 565 C GLU A 35 -20.549 3.142 -7.901 1.00 0.00 C ATOM 566 O GLU A 35 -21.740 3.395 -8.068 1.00 0.00 O ATOM 567 CB GLU A 35 -20.792 3.767 -5.471 1.00 0.00 C ATOM 568 CG GLU A 35 -20.751 5.263 -5.789 1.00 0.00 C ATOM 569 CD GLU A 35 -21.319 6.087 -4.632 1.00 0.00 C ATOM 570 OE1 GLU A 35 -22.387 5.686 -4.121 1.00 0.00 O ATOM 571 OE2 GLU A 35 -20.673 7.098 -4.284 1.00 0.00 O ATOM 0 H GLU A 35 -18.391 4.296 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 35 -20.054 1.914 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.825 3.420 -5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.397 3.593 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.723 5.568 -5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -21.322 5.461 -6.696 1.00 0.00 H new ATOM 578 N ALA A 36 -19.669 3.000 -8.881 1.00 0.00 N ATOM 579 CA ALA A 36 -20.067 3.139 -10.271 1.00 0.00 C ATOM 580 C ALA A 36 -19.986 1.775 -10.960 1.00 0.00 C ATOM 581 O ALA A 36 -20.991 1.261 -11.449 1.00 0.00 O ATOM 582 CB ALA A 36 -19.187 4.190 -10.952 1.00 0.00 C ATOM 0 H ALA A 36 -18.681 2.790 -8.740 1.00 0.00 H new ATOM 0 HA ALA A 36 -21.099 3.483 -10.342 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -19.486 4.294 -11.995 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -19.304 5.147 -10.444 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -18.144 3.878 -10.903 1.00 0.00 H new ATOM 588 N ALA A 37 -18.779 1.229 -10.978 1.00 0.00 N ATOM 589 CA ALA A 37 -18.553 -0.065 -11.598 1.00 0.00 C ATOM 590 C ALA A 37 -19.358 -1.131 -10.852 1.00 0.00 C ATOM 591 O ALA A 37 -20.003 -1.974 -11.473 1.00 0.00 O ATOM 592 CB ALA A 37 -17.054 -0.370 -11.613 1.00 0.00 C ATOM 0 H ALA A 37 -17.947 1.659 -10.573 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.894 -0.059 -12.633 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.885 -1.341 -12.078 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -16.532 0.400 -12.181 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.676 -0.387 -10.591 1.00 0.00 H new ATOM 598 N VAL A 38 -19.292 -1.059 -9.531 1.00 0.00 N ATOM 599 CA VAL A 38 -20.006 -2.009 -8.694 1.00 0.00 C ATOM 600 C VAL A 38 -20.672 -1.261 -7.536 1.00 0.00 C ATOM 601 O VAL A 38 -20.509 -0.050 -7.402 1.00 0.00 O ATOM 602 CB VAL A 38 -19.055 -3.111 -8.224 1.00 0.00 C ATOM 603 CG1 VAL A 38 -18.561 -3.949 -9.405 1.00 0.00 C ATOM 604 CG2 VAL A 38 -17.881 -2.525 -7.438 1.00 0.00 C ATOM 0 H VAL A 38 -18.756 -0.358 -9.019 1.00 0.00 H new ATOM 0 HA VAL A 38 -20.796 -2.500 -9.262 1.00 0.00 H new ATOM 0 HB VAL A 38 -19.610 -3.769 -7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.887 -4.725 -9.043 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -19.412 -4.412 -9.904 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -18.032 -3.308 -10.110 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -17.221 -3.330 -7.116 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.327 -1.834 -8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -18.257 -1.993 -6.564 1.00 0.00 H new ATOM 614 N LYS A 39 -21.407 -2.014 -6.733 1.00 0.00 N ATOM 615 CA LYS A 39 -22.098 -1.438 -5.592 1.00 0.00 C ATOM 616 C LYS A 39 -21.323 -1.762 -4.313 1.00 0.00 C ATOM 617 O LYS A 39 -21.169 -2.928 -3.954 1.00 0.00 O ATOM 618 CB LYS A 39 -23.557 -1.900 -5.559 1.00 0.00 C ATOM 619 CG LYS A 39 -24.304 -1.443 -6.813 1.00 0.00 C ATOM 620 CD LYS A 39 -25.093 -2.599 -7.432 1.00 0.00 C ATOM 621 CE LYS A 39 -24.533 -2.969 -8.808 1.00 0.00 C ATOM 622 NZ LYS A 39 -25.098 -4.256 -9.269 1.00 0.00 N ATOM 0 H LYS A 39 -21.540 -3.019 -6.849 1.00 0.00 H new ATOM 0 HA LYS A 39 -22.133 -0.352 -5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -23.597 -2.987 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -24.049 -1.500 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -24.983 -0.629 -6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -23.594 -1.051 -7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -25.052 -3.466 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -26.142 -2.319 -7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -24.769 -2.184 -9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -23.446 -3.039 -8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -24.707 -4.492 -10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -24.852 -5.006 -8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -26.133 -4.177 -9.336 1.00 0.00 H new ATOM 636 N SER A 40 -20.852 -0.708 -3.662 1.00 0.00 N ATOM 637 CA SER A 40 -20.096 -0.866 -2.431 1.00 0.00 C ATOM 638 C SER A 40 -20.737 -1.946 -1.557 1.00 0.00 C ATOM 639 O SER A 40 -21.961 -2.034 -1.471 1.00 0.00 O ATOM 640 CB SER A 40 -20.010 0.455 -1.664 1.00 0.00 C ATOM 641 OG SER A 40 -19.189 0.348 -0.505 1.00 0.00 O ATOM 0 H SER A 40 -20.979 0.258 -3.964 1.00 0.00 H new ATOM 0 HA SER A 40 -19.082 -1.172 -2.690 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.612 1.229 -2.320 1.00 0.00 H new ATOM 0 HB3 SER A 40 -21.012 0.770 -1.371 1.00 0.00 H new ATOM 0 HG SER A 40 -18.249 0.286 -0.775 1.00 0.00 H new ATOM 647 N THR A 41 -19.881 -2.740 -0.931 1.00 0.00 N ATOM 648 CA THR A 41 -20.350 -3.810 -0.067 1.00 0.00 C ATOM 649 C THR A 41 -19.832 -3.608 1.360 1.00 0.00 C ATOM 650 O THR A 41 -19.255 -2.569 1.674 1.00 0.00 O ATOM 651 CB THR A 41 -19.919 -5.141 -0.687 1.00 0.00 C ATOM 652 OG1 THR A 41 -18.495 -5.088 -0.670 1.00 0.00 O ATOM 653 CG2 THR A 41 -20.271 -5.235 -2.173 1.00 0.00 C ATOM 0 H THR A 41 -18.867 -2.664 -1.005 1.00 0.00 H new ATOM 0 HA THR A 41 -21.437 -3.808 0.011 1.00 0.00 H new ATOM 0 HB THR A 41 -20.392 -5.962 -0.149 1.00 0.00 H new ATOM 0 HG1 THR A 41 -18.132 -5.914 -1.053 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.944 -6.198 -2.564 1.00 0.00 H new ATOM 0 HG22 THR A 41 -21.350 -5.140 -2.298 1.00 0.00 H new ATOM 0 HG23 THR A 41 -19.771 -4.434 -2.717 1.00 0.00 H new ATOM 661 N ALA A 42 -20.057 -4.621 2.184 1.00 0.00 N ATOM 662 CA ALA A 42 -19.621 -4.568 3.569 1.00 0.00 C ATOM 663 C ALA A 42 -18.202 -5.134 3.675 1.00 0.00 C ATOM 664 O ALA A 42 -17.826 -6.022 2.911 1.00 0.00 O ATOM 665 CB ALA A 42 -20.618 -5.326 4.449 1.00 0.00 C ATOM 0 H ALA A 42 -20.535 -5.482 1.919 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.593 -3.537 3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -20.290 -5.286 5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -21.603 -4.867 4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.672 -6.365 4.126 1.00 0.00 H new ATOM 671 N ASN A 43 -17.456 -4.597 4.629 1.00 0.00 N ATOM 672 CA ASN A 43 -16.088 -5.037 4.846 1.00 0.00 C ATOM 673 C ASN A 43 -15.397 -5.220 3.493 1.00 0.00 C ATOM 674 O ASN A 43 -15.316 -6.334 2.977 1.00 0.00 O ATOM 675 CB ASN A 43 -16.051 -6.379 5.580 1.00 0.00 C ATOM 676 CG ASN A 43 -17.105 -7.338 5.023 1.00 0.00 C ATOM 677 OD1 ASN A 43 -18.251 -7.354 5.442 1.00 0.00 O ATOM 678 ND2 ASN A 43 -16.656 -8.135 4.058 1.00 0.00 N ATOM 0 H ASN A 43 -17.773 -3.861 5.261 1.00 0.00 H new ATOM 0 HA ASN A 43 -15.582 -4.282 5.448 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.061 -6.824 5.482 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -16.225 -6.220 6.644 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -17.283 -8.811 3.622 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -15.685 -8.070 3.754 1.00 0.00 H new ATOM 685 N LYS A 44 -14.912 -4.108 2.956 1.00 0.00 N ATOM 686 CA LYS A 44 -14.231 -4.132 1.674 1.00 0.00 C ATOM 687 C LYS A 44 -13.346 -2.890 1.549 1.00 0.00 C ATOM 688 O LYS A 44 -13.843 -1.765 1.558 1.00 0.00 O ATOM 689 CB LYS A 44 -15.239 -4.285 0.532 1.00 0.00 C ATOM 690 CG LYS A 44 -15.152 -5.679 -0.091 1.00 0.00 C ATOM 691 CD LYS A 44 -14.441 -5.631 -1.444 1.00 0.00 C ATOM 692 CE LYS A 44 -15.390 -5.160 -2.548 1.00 0.00 C ATOM 693 NZ LYS A 44 -16.131 -6.308 -3.118 1.00 0.00 N ATOM 0 H LYS A 44 -14.978 -3.186 3.387 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.576 -5.001 1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.248 -4.112 0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.048 -3.529 -0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.617 -6.349 0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -16.154 -6.088 -0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.585 -4.959 -1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.054 -6.620 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.092 -4.430 -2.145 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.824 -4.659 -3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.771 -5.972 -3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.457 -6.991 -3.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.686 -6.769 -2.369 1.00 0.00 H new ATOM 707 N TYR A 45 -12.048 -3.135 1.436 1.00 0.00 N ATOM 708 CA TYR A 45 -11.089 -2.052 1.310 1.00 0.00 C ATOM 709 C TYR A 45 -10.275 -2.186 0.022 1.00 0.00 C ATOM 710 O TYR A 45 -9.694 -3.238 -0.242 1.00 0.00 O ATOM 711 CB TYR A 45 -10.149 -2.180 2.510 1.00 0.00 C ATOM 712 CG TYR A 45 -8.692 -1.825 2.200 1.00 0.00 C ATOM 713 CD1 TYR A 45 -8.375 -0.571 1.720 1.00 0.00 C ATOM 714 CD2 TYR A 45 -7.697 -2.760 2.400 1.00 0.00 C ATOM 715 CE1 TYR A 45 -7.006 -0.237 1.428 1.00 0.00 C ATOM 716 CE2 TYR A 45 -6.327 -2.427 2.107 1.00 0.00 C ATOM 717 CZ TYR A 45 -6.049 -1.181 1.636 1.00 0.00 C ATOM 718 OH TYR A 45 -4.755 -0.866 1.360 1.00 0.00 O ATOM 0 H TYR A 45 -11.639 -4.069 1.429 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.599 -1.089 1.279 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.508 -1.533 3.310 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.191 -3.203 2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.154 0.160 1.563 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.946 -3.741 2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.744 0.741 1.052 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.538 -3.149 2.258 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.722 -0.272 0.581 1.00 0.00 H new ATOM 728 N GLN A 46 -10.257 -1.106 -0.745 1.00 0.00 N ATOM 729 CA GLN A 46 -9.524 -1.092 -1.999 1.00 0.00 C ATOM 730 C GLN A 46 -8.035 -0.856 -1.741 1.00 0.00 C ATOM 731 O GLN A 46 -7.668 0.036 -0.976 1.00 0.00 O ATOM 732 CB GLN A 46 -10.089 -0.037 -2.953 1.00 0.00 C ATOM 733 CG GLN A 46 -10.198 -0.586 -4.377 1.00 0.00 C ATOM 734 CD GLN A 46 -11.254 0.179 -5.180 1.00 0.00 C ATOM 735 OE1 GLN A 46 -12.284 -0.350 -5.561 1.00 0.00 O ATOM 736 NE2 GLN A 46 -10.937 1.449 -5.414 1.00 0.00 N ATOM 0 H GLN A 46 -10.738 -0.235 -0.522 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.640 -2.065 -2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.072 0.282 -2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.447 0.844 -2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.231 -0.510 -4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.457 -1.644 -4.344 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.057 1.828 -5.065 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.574 2.045 -5.943 1.00 0.00 H new ATOM 745 N VAL A 47 -7.217 -1.669 -2.392 1.00 0.00 N ATOM 746 CA VAL A 47 -5.776 -1.559 -2.241 1.00 0.00 C ATOM 747 C VAL A 47 -5.141 -1.323 -3.614 1.00 0.00 C ATOM 748 O VAL A 47 -5.512 -1.968 -4.593 1.00 0.00 O ATOM 749 CB VAL A 47 -5.228 -2.799 -1.534 1.00 0.00 C ATOM 750 CG1 VAL A 47 -4.807 -3.867 -2.548 1.00 0.00 C ATOM 751 CG2 VAL A 47 -4.067 -2.435 -0.608 1.00 0.00 C ATOM 0 H VAL A 47 -7.524 -2.407 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.521 -0.705 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.027 -3.215 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.421 -4.738 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.669 -4.159 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.031 -3.465 -3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.696 -3.335 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.265 -1.983 -1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.411 -1.727 0.146 1.00 0.00 H new ATOM 761 N PHE A 48 -4.194 -0.396 -3.641 1.00 0.00 N ATOM 762 CA PHE A 48 -3.504 -0.067 -4.877 1.00 0.00 C ATOM 763 C PHE A 48 -2.048 -0.533 -4.832 1.00 0.00 C ATOM 764 O PHE A 48 -1.195 0.138 -4.256 1.00 0.00 O ATOM 765 CB PHE A 48 -3.536 1.457 -5.014 1.00 0.00 C ATOM 766 CG PHE A 48 -4.098 1.950 -6.349 1.00 0.00 C ATOM 767 CD1 PHE A 48 -3.977 1.181 -7.463 1.00 0.00 C ATOM 768 CD2 PHE A 48 -4.723 3.156 -6.419 1.00 0.00 C ATOM 769 CE1 PHE A 48 -4.500 1.639 -8.702 1.00 0.00 C ATOM 770 CE2 PHE A 48 -5.245 3.615 -7.658 1.00 0.00 C ATOM 771 CZ PHE A 48 -5.123 2.845 -8.773 1.00 0.00 C ATOM 0 H PHE A 48 -3.889 0.137 -2.827 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.990 -0.562 -5.718 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.135 1.872 -4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.524 1.844 -4.892 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.483 0.222 -7.406 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.822 3.765 -5.533 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.403 1.029 -9.588 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.738 4.574 -7.715 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.521 3.192 -9.715 1.00 0.00 H new ATOM 781 N PHE A 49 -1.808 -1.681 -5.451 1.00 0.00 N ATOM 782 CA PHE A 49 -0.470 -2.245 -5.489 1.00 0.00 C ATOM 783 C PHE A 49 0.424 -1.467 -6.456 1.00 0.00 C ATOM 784 O PHE A 49 0.087 -1.311 -7.629 1.00 0.00 O ATOM 785 CB PHE A 49 -0.607 -3.686 -5.983 1.00 0.00 C ATOM 786 CG PHE A 49 -0.629 -4.729 -4.864 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.809 -5.078 -4.286 1.00 0.00 C ATOM 788 CD2 PHE A 49 0.529 -5.306 -4.448 1.00 0.00 C ATOM 789 CE1 PHE A 49 -1.830 -6.047 -3.247 1.00 0.00 C ATOM 790 CE2 PHE A 49 0.508 -6.273 -3.409 1.00 0.00 C ATOM 791 CZ PHE A 49 -0.672 -6.623 -2.831 1.00 0.00 C ATOM 0 H PHE A 49 -2.518 -2.235 -5.930 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.016 -2.197 -4.499 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.524 -3.774 -6.565 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.221 -3.908 -6.657 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.729 -4.619 -4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.466 -5.029 -4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.767 -6.326 -2.788 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.429 -6.730 -3.078 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.689 -7.359 -2.041 1.00 0.00 H new ATOM 801 N PHE A 50 1.548 -1.002 -5.931 1.00 0.00 N ATOM 802 CA PHE A 50 2.493 -0.246 -6.734 1.00 0.00 C ATOM 803 C PHE A 50 3.361 -1.177 -7.581 1.00 0.00 C ATOM 804 O PHE A 50 3.440 -1.021 -8.799 1.00 0.00 O ATOM 805 CB PHE A 50 3.389 0.524 -5.762 1.00 0.00 C ATOM 806 CG PHE A 50 2.804 1.860 -5.301 1.00 0.00 C ATOM 807 CD1 PHE A 50 2.560 2.844 -6.206 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.529 2.064 -3.984 1.00 0.00 C ATOM 809 CE1 PHE A 50 2.016 4.085 -5.778 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.987 3.303 -3.555 1.00 0.00 C ATOM 811 CZ PHE A 50 1.741 4.288 -4.462 1.00 0.00 C ATOM 0 H PHE A 50 1.825 -1.135 -4.958 1.00 0.00 H new ATOM 0 HA PHE A 50 1.957 0.421 -7.410 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.579 -0.099 -4.888 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.352 0.706 -6.239 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.780 2.683 -7.251 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.723 1.282 -3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.821 4.866 -6.498 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.770 3.465 -2.510 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.327 5.231 -4.136 1.00 0.00 H new ATOM 821 N GLY A 51 3.992 -2.126 -6.903 1.00 0.00 N ATOM 822 CA GLY A 51 4.851 -3.083 -7.580 1.00 0.00 C ATOM 823 C GLY A 51 4.252 -3.506 -8.921 1.00 0.00 C ATOM 824 O GLY A 51 4.893 -3.372 -9.963 1.00 0.00 O ATOM 0 H GLY A 51 3.925 -2.252 -5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.835 -2.643 -7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.993 -3.960 -6.948 1.00 0.00 H new ATOM 828 N THR A 52 3.027 -4.010 -8.853 1.00 0.00 N ATOM 829 CA THR A 52 2.333 -4.455 -10.049 1.00 0.00 C ATOM 830 C THR A 52 1.683 -3.267 -10.761 1.00 0.00 C ATOM 831 O THR A 52 1.487 -3.297 -11.975 1.00 0.00 O ATOM 832 CB THR A 52 1.334 -5.540 -9.642 1.00 0.00 C ATOM 833 OG1 THR A 52 0.553 -4.925 -8.620 1.00 0.00 O ATOM 834 CG2 THR A 52 2.007 -6.720 -8.937 1.00 0.00 C ATOM 0 H THR A 52 2.498 -4.120 -7.988 1.00 0.00 H new ATOM 0 HA THR A 52 3.027 -4.887 -10.770 1.00 0.00 H new ATOM 0 HB THR A 52 0.806 -5.898 -10.526 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.123 -5.558 -8.299 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.254 -7.461 -8.669 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.741 -7.172 -9.604 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.506 -6.368 -8.034 1.00 0.00 H new ATOM 842 N HIS A 53 1.367 -2.248 -9.976 1.00 0.00 N ATOM 843 CA HIS A 53 0.743 -1.053 -10.516 1.00 0.00 C ATOM 844 C HIS A 53 -0.718 -1.347 -10.864 1.00 0.00 C ATOM 845 O HIS A 53 -1.229 -0.866 -11.873 1.00 0.00 O ATOM 846 CB HIS A 53 1.539 -0.514 -11.707 1.00 0.00 C ATOM 847 CG HIS A 53 1.218 0.918 -12.063 1.00 0.00 C ATOM 848 ND1 HIS A 53 0.960 1.887 -11.111 1.00 0.00 N ATOM 849 CD2 HIS A 53 1.121 1.534 -13.276 1.00 0.00 C ATOM 850 CE1 HIS A 53 0.716 3.031 -11.733 1.00 0.00 C ATOM 851 NE2 HIS A 53 0.816 2.809 -13.075 1.00 0.00 N ATOM 0 H HIS A 53 1.532 -2.226 -8.970 1.00 0.00 H new ATOM 0 HA HIS A 53 0.749 -0.265 -9.763 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.603 -0.593 -11.485 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.347 -1.145 -12.575 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.268 1.063 -14.237 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.480 3.973 -11.261 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.679 3.509 -13.804 1.00 0.00 H new ATOM 859 N GLU A 54 -1.348 -2.139 -10.008 1.00 0.00 N ATOM 860 CA GLU A 54 -2.738 -2.505 -10.213 1.00 0.00 C ATOM 861 C GLU A 54 -3.498 -2.469 -8.885 1.00 0.00 C ATOM 862 O GLU A 54 -2.889 -2.497 -7.816 1.00 0.00 O ATOM 863 CB GLU A 54 -2.854 -3.881 -10.871 1.00 0.00 C ATOM 864 CG GLU A 54 -2.529 -3.803 -12.364 1.00 0.00 C ATOM 865 CD GLU A 54 -3.707 -4.297 -13.206 1.00 0.00 C ATOM 866 OE1 GLU A 54 -3.780 -5.527 -13.413 1.00 0.00 O ATOM 867 OE2 GLU A 54 -4.506 -3.432 -13.626 1.00 0.00 O ATOM 0 H GLU A 54 -0.921 -2.537 -9.172 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.187 -1.777 -10.888 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.175 -4.580 -10.383 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.863 -4.270 -10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.289 -2.775 -12.635 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.645 -4.404 -12.580 1.00 0.00 H new ATOM 874 N THR A 55 -4.816 -2.404 -8.994 1.00 0.00 N ATOM 875 CA THR A 55 -5.664 -2.363 -7.816 1.00 0.00 C ATOM 876 C THR A 55 -6.135 -3.771 -7.447 1.00 0.00 C ATOM 877 O THR A 55 -6.034 -4.694 -8.254 1.00 0.00 O ATOM 878 CB THR A 55 -6.815 -1.393 -8.093 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.383 -0.166 -7.509 1.00 0.00 O ATOM 880 CG2 THR A 55 -8.083 -1.750 -7.317 1.00 0.00 C ATOM 0 H THR A 55 -5.318 -2.379 -9.882 1.00 0.00 H new ATOM 0 HA THR A 55 -5.114 -1.999 -6.948 1.00 0.00 H new ATOM 0 HB THR A 55 -7.034 -1.386 -9.161 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.490 0.059 -7.843 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.867 -1.030 -7.550 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.413 -2.750 -7.599 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.874 -1.725 -6.247 1.00 0.00 H new ATOM 888 N ALA A 56 -6.639 -3.892 -6.227 1.00 0.00 N ATOM 889 CA ALA A 56 -7.125 -5.173 -5.742 1.00 0.00 C ATOM 890 C ALA A 56 -8.075 -4.941 -4.566 1.00 0.00 C ATOM 891 O ALA A 56 -8.321 -3.799 -4.179 1.00 0.00 O ATOM 892 CB ALA A 56 -5.938 -6.061 -5.365 1.00 0.00 C ATOM 0 H ALA A 56 -6.721 -3.124 -5.560 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.684 -5.690 -6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.303 -7.021 -5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.310 -6.220 -6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.354 -5.575 -4.583 1.00 0.00 H new ATOM 898 N PHE A 57 -8.585 -6.041 -4.032 1.00 0.00 N ATOM 899 CA PHE A 57 -9.504 -5.971 -2.908 1.00 0.00 C ATOM 900 C PHE A 57 -8.923 -6.679 -1.681 1.00 0.00 C ATOM 901 O PHE A 57 -8.814 -7.903 -1.661 1.00 0.00 O ATOM 902 CB PHE A 57 -10.788 -6.685 -3.333 1.00 0.00 C ATOM 903 CG PHE A 57 -10.608 -8.181 -3.600 1.00 0.00 C ATOM 904 CD1 PHE A 57 -10.033 -8.601 -4.759 1.00 0.00 C ATOM 905 CD2 PHE A 57 -11.024 -9.091 -2.679 1.00 0.00 C ATOM 906 CE1 PHE A 57 -9.867 -9.989 -5.006 1.00 0.00 C ATOM 907 CE2 PHE A 57 -10.858 -10.478 -2.925 1.00 0.00 C ATOM 908 CZ PHE A 57 -10.283 -10.899 -4.085 1.00 0.00 C ATOM 0 H PHE A 57 -8.379 -6.986 -4.357 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.687 -4.930 -2.642 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.540 -6.553 -2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.175 -6.209 -4.234 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.703 -7.879 -5.491 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.481 -8.757 -1.759 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.410 -10.323 -5.926 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.188 -11.200 -2.192 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.157 -11.955 -4.274 1.00 0.00 H new ATOM 918 N LEU A 58 -8.567 -5.875 -0.689 1.00 0.00 N ATOM 919 CA LEU A 58 -8.001 -6.410 0.539 1.00 0.00 C ATOM 920 C LEU A 58 -8.642 -5.710 1.738 1.00 0.00 C ATOM 921 O LEU A 58 -9.493 -4.837 1.570 1.00 0.00 O ATOM 922 CB LEU A 58 -6.473 -6.311 0.511 1.00 0.00 C ATOM 923 CG LEU A 58 -5.767 -7.131 -0.570 1.00 0.00 C ATOM 924 CD1 LEU A 58 -4.248 -6.967 -0.477 1.00 0.00 C ATOM 925 CD2 LEU A 58 -6.190 -8.599 -0.509 1.00 0.00 C ATOM 0 H LEU A 58 -8.659 -4.859 -0.710 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.227 -7.472 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.199 -5.264 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.091 -6.623 1.483 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.073 -6.749 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.770 -7.560 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.987 -5.917 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.904 -7.307 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.673 -9.159 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.932 -9.012 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.267 -8.674 -0.662 1.00 0.00 H new ATOM 937 N GLY A 59 -8.208 -6.117 2.921 1.00 0.00 N ATOM 938 CA GLY A 59 -8.730 -5.540 4.148 1.00 0.00 C ATOM 939 C GLY A 59 -7.603 -4.943 4.995 1.00 0.00 C ATOM 940 O GLY A 59 -6.540 -4.609 4.475 1.00 0.00 O ATOM 0 H GLY A 59 -7.501 -6.839 3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.459 -4.766 3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.254 -6.306 4.720 1.00 0.00 H new ATOM 944 N PRO A 60 -7.882 -4.826 6.321 1.00 0.00 N ATOM 945 CA PRO A 60 -6.904 -4.277 7.246 1.00 0.00 C ATOM 946 C PRO A 60 -5.793 -5.288 7.534 1.00 0.00 C ATOM 947 O PRO A 60 -4.620 -4.924 7.593 1.00 0.00 O ATOM 948 CB PRO A 60 -7.702 -3.902 8.485 1.00 0.00 C ATOM 949 CG PRO A 60 -9.006 -4.678 8.391 1.00 0.00 C ATOM 950 CD PRO A 60 -9.129 -5.213 6.974 1.00 0.00 C ATOM 0 HA PRO A 60 -6.386 -3.407 6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.158 -4.161 9.393 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.888 -2.829 8.520 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.016 -5.497 9.110 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.852 -4.034 8.630 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.259 -6.295 6.969 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.992 -4.786 6.463 1.00 0.00 H new ATOM 958 N LYS A 61 -6.202 -6.537 7.705 1.00 0.00 N ATOM 959 CA LYS A 61 -5.255 -7.602 7.985 1.00 0.00 C ATOM 960 C LYS A 61 -4.236 -7.686 6.846 1.00 0.00 C ATOM 961 O LYS A 61 -3.035 -7.784 7.089 1.00 0.00 O ATOM 962 CB LYS A 61 -5.992 -8.917 8.249 1.00 0.00 C ATOM 963 CG LYS A 61 -7.167 -8.704 9.206 1.00 0.00 C ATOM 964 CD LYS A 61 -6.943 -9.450 10.524 1.00 0.00 C ATOM 965 CE LYS A 61 -8.238 -9.531 11.333 1.00 0.00 C ATOM 966 NZ LYS A 61 -8.362 -8.363 12.234 1.00 0.00 N ATOM 0 H LYS A 61 -7.176 -6.835 7.655 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.697 -7.386 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.355 -9.330 7.308 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.301 -9.647 8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.292 -7.639 9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.089 -9.052 8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.574 -10.455 10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.176 -8.942 11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.093 -9.569 10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.252 -10.451 11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.247 -8.435 12.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.555 -8.343 12.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.371 -7.489 11.670 1.00 0.00 H new ATOM 980 N ASP A 62 -4.755 -7.644 5.627 1.00 0.00 N ATOM 981 CA ASP A 62 -3.906 -7.715 4.450 1.00 0.00 C ATOM 982 C ASP A 62 -2.914 -6.550 4.473 1.00 0.00 C ATOM 983 O ASP A 62 -1.920 -6.562 3.746 1.00 0.00 O ATOM 984 CB ASP A 62 -4.733 -7.610 3.168 1.00 0.00 C ATOM 985 CG ASP A 62 -5.193 -8.945 2.583 1.00 0.00 C ATOM 986 OD1 ASP A 62 -4.304 -9.727 2.182 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.424 -9.156 2.551 1.00 0.00 O ATOM 0 H ASP A 62 -5.752 -7.562 5.429 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.386 -8.673 4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.612 -6.997 3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.144 -7.085 2.416 1.00 0.00 H new ATOM 992 N LEU A 63 -3.218 -5.571 5.312 1.00 0.00 N ATOM 993 CA LEU A 63 -2.367 -4.401 5.437 1.00 0.00 C ATOM 994 C LEU A 63 -1.606 -4.468 6.763 1.00 0.00 C ATOM 995 O LEU A 63 -2.178 -4.819 7.794 1.00 0.00 O ATOM 996 CB LEU A 63 -3.186 -3.120 5.263 1.00 0.00 C ATOM 997 CG LEU A 63 -2.717 -2.168 4.162 1.00 0.00 C ATOM 998 CD1 LEU A 63 -2.302 -2.942 2.908 1.00 0.00 C ATOM 999 CD2 LEU A 63 -3.784 -1.113 3.857 1.00 0.00 C ATOM 0 H LEU A 63 -4.043 -5.564 5.912 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.622 -4.386 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.220 -3.398 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.183 -2.579 6.209 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.834 -1.639 4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.973 -2.242 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.486 -3.622 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.152 -3.515 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.425 -0.449 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.699 -1.605 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.989 -0.532 4.756 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.328 -4.128 6.693 1.00 0.00 N ATOM 1012 CA PHE A 64 0.517 -4.146 7.875 1.00 0.00 C ATOM 1013 C PHE A 64 1.296 -2.836 8.013 1.00 0.00 C ATOM 1014 O PHE A 64 1.708 -2.247 7.015 1.00 0.00 O ATOM 1015 CB PHE A 64 1.508 -5.298 7.699 1.00 0.00 C ATOM 1016 CG PHE A 64 1.244 -6.492 8.617 1.00 0.00 C ATOM 1017 CD1 PHE A 64 0.169 -7.296 8.396 1.00 0.00 C ATOM 1018 CD2 PHE A 64 2.083 -6.751 9.656 1.00 0.00 C ATOM 1019 CE1 PHE A 64 -0.077 -8.406 9.248 1.00 0.00 C ATOM 1020 CE2 PHE A 64 1.838 -7.859 10.509 1.00 0.00 C ATOM 1021 CZ PHE A 64 0.763 -8.663 10.286 1.00 0.00 C ATOM 0 H PHE A 64 0.143 -3.838 5.836 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.096 -4.269 8.768 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.477 -5.636 6.663 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.516 -4.927 7.883 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.498 -7.090 7.572 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.936 -6.113 9.832 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.930 -9.045 9.072 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.504 -8.064 11.334 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.577 -9.506 10.934 1.00 0.00 H new ATOM 1031 N PRO A 65 1.478 -2.408 9.290 1.00 0.00 N ATOM 1032 CA PRO A 65 2.201 -1.177 9.571 1.00 0.00 C ATOM 1033 C PRO A 65 3.706 -1.372 9.384 1.00 0.00 C ATOM 1034 O PRO A 65 4.208 -2.489 9.482 1.00 0.00 O ATOM 1035 CB PRO A 65 1.820 -0.817 10.998 1.00 0.00 C ATOM 1036 CG PRO A 65 1.275 -2.092 11.621 1.00 0.00 C ATOM 1037 CD PRO A 65 1.005 -3.079 10.497 1.00 0.00 C ATOM 0 HA PRO A 65 1.941 -0.369 8.887 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.684 -0.451 11.552 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.072 -0.024 11.014 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.991 -2.507 12.330 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.360 -1.885 12.176 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.533 -4.018 10.660 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.056 -3.318 10.427 1.00 0.00 H new ATOM 1045 N TYR A 66 4.384 -0.265 9.118 1.00 0.00 N ATOM 1046 CA TYR A 66 5.822 -0.298 8.916 1.00 0.00 C ATOM 1047 C TYR A 66 6.561 -0.400 10.252 1.00 0.00 C ATOM 1048 O TYR A 66 7.580 -1.080 10.352 1.00 0.00 O ATOM 1049 CB TYR A 66 6.186 1.028 8.246 1.00 0.00 C ATOM 1050 CG TYR A 66 7.648 1.438 8.428 1.00 0.00 C ATOM 1051 CD1 TYR A 66 8.609 0.977 7.552 1.00 0.00 C ATOM 1052 CD2 TYR A 66 8.006 2.270 9.470 1.00 0.00 C ATOM 1053 CE1 TYR A 66 9.985 1.363 7.724 1.00 0.00 C ATOM 1054 CE2 TYR A 66 9.383 2.656 9.642 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.305 2.184 8.760 1.00 0.00 C ATOM 1056 OH TYR A 66 11.604 2.548 8.923 1.00 0.00 O ATOM 0 H TYR A 66 3.963 0.661 9.038 1.00 0.00 H new ATOM 0 HA TYR A 66 6.104 -1.161 8.314 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.970 0.956 7.180 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.547 1.814 8.648 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.329 0.326 6.737 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.254 2.631 10.156 1.00 0.00 H new ATOM 0 HE1 TYR A 66 10.747 1.008 7.045 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.677 3.306 10.453 1.00 0.00 H new ATOM 0 HH TYR A 66 11.683 3.137 9.702 1.00 0.00 H new ATOM 1066 N GLU A 67 6.018 0.290 11.246 1.00 0.00 N ATOM 1067 CA GLU A 67 6.613 0.287 12.571 1.00 0.00 C ATOM 1068 C GLU A 67 6.773 -1.149 13.077 1.00 0.00 C ATOM 1069 O GLU A 67 7.853 -1.537 13.521 1.00 0.00 O ATOM 1070 CB GLU A 67 5.784 1.124 13.547 1.00 0.00 C ATOM 1071 CG GLU A 67 6.154 2.605 13.451 1.00 0.00 C ATOM 1072 CD GLU A 67 5.054 3.485 14.048 1.00 0.00 C ATOM 1073 OE1 GLU A 67 4.767 3.298 15.252 1.00 0.00 O ATOM 1074 OE2 GLU A 67 4.524 4.325 13.290 1.00 0.00 O ATOM 0 H GLU A 67 5.173 0.854 11.159 1.00 0.00 H new ATOM 0 HA GLU A 67 7.602 0.741 12.505 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.723 0.996 13.331 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.947 0.770 14.565 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.092 2.784 13.976 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.315 2.876 12.408 1.00 0.00 H new ATOM 1081 N GLU A 68 5.683 -1.896 12.994 1.00 0.00 N ATOM 1082 CA GLU A 68 5.687 -3.279 13.439 1.00 0.00 C ATOM 1083 C GLU A 68 6.568 -4.128 12.519 1.00 0.00 C ATOM 1084 O GLU A 68 7.374 -4.929 12.991 1.00 0.00 O ATOM 1085 CB GLU A 68 4.266 -3.839 13.507 1.00 0.00 C ATOM 1086 CG GLU A 68 4.092 -4.751 14.722 1.00 0.00 C ATOM 1087 CD GLU A 68 3.773 -6.184 14.291 1.00 0.00 C ATOM 1088 OE1 GLU A 68 4.647 -6.786 13.627 1.00 0.00 O ATOM 1089 OE2 GLU A 68 2.665 -6.647 14.633 1.00 0.00 O ATOM 0 H GLU A 68 4.790 -1.570 12.625 1.00 0.00 H new ATOM 0 HA GLU A 68 6.103 -3.315 14.446 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.550 -3.018 13.559 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.047 -4.396 12.596 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.002 -4.742 15.321 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.290 -4.371 15.355 1.00 0.00 H new ATOM 1096 N SER A 69 6.383 -3.926 11.223 1.00 0.00 N ATOM 1097 CA SER A 69 7.150 -4.663 10.233 1.00 0.00 C ATOM 1098 C SER A 69 8.647 -4.421 10.445 1.00 0.00 C ATOM 1099 O SER A 69 9.431 -5.367 10.494 1.00 0.00 O ATOM 1100 CB SER A 69 6.744 -4.264 8.813 1.00 0.00 C ATOM 1101 OG SER A 69 7.611 -3.274 8.268 1.00 0.00 O ATOM 0 H SER A 69 5.713 -3.262 10.835 1.00 0.00 H new ATOM 0 HA SER A 69 6.938 -5.725 10.357 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.753 -5.146 8.172 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.722 -3.886 8.821 1.00 0.00 H new ATOM 0 HG SER A 69 7.645 -3.369 7.293 1.00 0.00 H new ATOM 1107 N LYS A 70 8.997 -3.150 10.564 1.00 0.00 N ATOM 1108 CA LYS A 70 10.385 -2.771 10.768 1.00 0.00 C ATOM 1109 C LYS A 70 10.843 -3.256 12.146 1.00 0.00 C ATOM 1110 O LYS A 70 12.042 -3.343 12.410 1.00 0.00 O ATOM 1111 CB LYS A 70 10.569 -1.268 10.554 1.00 0.00 C ATOM 1112 CG LYS A 70 10.616 -0.523 11.890 1.00 0.00 C ATOM 1113 CD LYS A 70 10.075 0.899 11.746 1.00 0.00 C ATOM 1114 CE LYS A 70 9.891 1.558 13.114 1.00 0.00 C ATOM 1115 NZ LYS A 70 11.147 2.213 13.547 1.00 0.00 N ATOM 0 H LYS A 70 8.343 -2.368 10.523 1.00 0.00 H new ATOM 0 HA LYS A 70 11.024 -3.254 10.029 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.490 -1.086 10.000 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.751 -0.881 9.947 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.030 -1.065 12.633 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.642 -0.490 12.256 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.761 1.493 11.142 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.122 0.877 11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.088 2.294 13.065 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.593 0.809 13.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.005 2.655 14.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.904 1.503 13.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.415 2.941 12.855 1.00 0.00 H new ATOM 1129 N GLU A 71 9.865 -3.558 12.987 1.00 0.00 N ATOM 1130 CA GLU A 71 10.154 -4.031 14.330 1.00 0.00 C ATOM 1131 C GLU A 71 10.755 -5.438 14.280 1.00 0.00 C ATOM 1132 O GLU A 71 11.723 -5.728 14.980 1.00 0.00 O ATOM 1133 CB GLU A 71 8.897 -4.004 15.202 1.00 0.00 C ATOM 1134 CG GLU A 71 9.261 -3.976 16.688 1.00 0.00 C ATOM 1135 CD GLU A 71 8.007 -4.044 17.562 1.00 0.00 C ATOM 1136 OE1 GLU A 71 7.422 -2.965 17.800 1.00 0.00 O ATOM 1137 OE2 GLU A 71 7.660 -5.174 17.970 1.00 0.00 O ATOM 0 H GLU A 71 8.872 -3.484 12.765 1.00 0.00 H new ATOM 0 HA GLU A 71 10.885 -3.360 14.781 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.297 -3.128 14.954 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.284 -4.880 14.990 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.917 -4.815 16.921 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.816 -3.065 16.913 1.00 0.00 H new ATOM 1144 N LYS A 72 10.155 -6.274 13.445 1.00 0.00 N ATOM 1145 CA LYS A 72 10.620 -7.642 13.294 1.00 0.00 C ATOM 1146 C LYS A 72 11.328 -7.791 11.947 1.00 0.00 C ATOM 1147 O LYS A 72 12.546 -7.960 11.896 1.00 0.00 O ATOM 1148 CB LYS A 72 9.464 -8.625 13.493 1.00 0.00 C ATOM 1149 CG LYS A 72 8.136 -8.009 13.045 1.00 0.00 C ATOM 1150 CD LYS A 72 7.146 -9.092 12.615 1.00 0.00 C ATOM 1151 CE LYS A 72 7.427 -9.556 11.184 1.00 0.00 C ATOM 1152 NZ LYS A 72 6.254 -10.267 10.630 1.00 0.00 N ATOM 0 H LYS A 72 9.351 -6.030 12.866 1.00 0.00 H new ATOM 0 HA LYS A 72 11.351 -7.883 14.066 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.656 -9.536 12.927 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.401 -8.910 14.543 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.709 -7.424 13.860 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.311 -7.322 12.217 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.212 -9.941 13.296 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.128 -8.707 12.683 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.668 -8.697 10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.297 -10.213 11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.462 -10.575 9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.042 -11.098 11.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.433 -9.629 10.623 1.00 0.00 H new ATOM 1166 N PHE A 73 10.535 -7.721 10.887 1.00 0.00 N ATOM 1167 CA PHE A 73 11.072 -7.846 9.542 1.00 0.00 C ATOM 1168 C PHE A 73 10.523 -6.748 8.629 1.00 0.00 C ATOM 1169 O PHE A 73 11.146 -5.700 8.466 1.00 0.00 O ATOM 1170 CB PHE A 73 10.626 -9.208 9.006 1.00 0.00 C ATOM 1171 CG PHE A 73 11.612 -10.341 9.295 1.00 0.00 C ATOM 1172 CD1 PHE A 73 11.868 -10.711 10.578 1.00 0.00 C ATOM 1173 CD2 PHE A 73 12.233 -10.980 8.266 1.00 0.00 C ATOM 1174 CE1 PHE A 73 12.784 -11.763 10.845 1.00 0.00 C ATOM 1175 CE2 PHE A 73 13.148 -12.032 8.534 1.00 0.00 C ATOM 1176 CZ PHE A 73 13.403 -12.403 9.817 1.00 0.00 C ATOM 0 H PHE A 73 9.526 -7.579 10.932 1.00 0.00 H new ATOM 0 HA PHE A 73 12.158 -7.754 9.565 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.660 -9.460 9.442 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.479 -9.133 7.929 1.00 0.00 H new ATOM 0 HD1 PHE A 73 11.375 -10.205 11.394 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.030 -10.687 7.247 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.989 -12.055 11.864 1.00 0.00 H new ATOM 0 HE2 PHE A 73 13.642 -12.538 7.718 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.097 -13.206 10.020 1.00 0.00 H new ATOM 1186 N GLY A 74 9.360 -7.024 8.057 1.00 0.00 N ATOM 1187 CA GLY A 74 8.719 -6.074 7.165 1.00 0.00 C ATOM 1188 C GLY A 74 9.489 -5.955 5.847 1.00 0.00 C ATOM 1189 O GLY A 74 9.222 -5.058 5.048 1.00 0.00 O ATOM 0 H GLY A 74 8.845 -7.893 8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.695 -6.391 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.662 -5.098 7.647 1.00 0.00 H new ATOM 1193 N LYS A 75 10.428 -6.871 5.662 1.00 0.00 N ATOM 1194 CA LYS A 75 11.238 -6.879 4.455 1.00 0.00 C ATOM 1195 C LYS A 75 10.908 -8.125 3.633 1.00 0.00 C ATOM 1196 O LYS A 75 11.470 -9.195 3.868 1.00 0.00 O ATOM 1197 CB LYS A 75 12.721 -6.746 4.805 1.00 0.00 C ATOM 1198 CG LYS A 75 12.948 -5.622 5.818 1.00 0.00 C ATOM 1199 CD LYS A 75 14.242 -5.846 6.604 1.00 0.00 C ATOM 1200 CE LYS A 75 14.582 -4.623 7.457 1.00 0.00 C ATOM 1201 NZ LYS A 75 15.184 -3.559 6.623 1.00 0.00 N ATOM 0 H LYS A 75 10.646 -7.613 6.327 1.00 0.00 H new ATOM 0 HA LYS A 75 11.003 -6.016 3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.088 -7.688 5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.295 -6.546 3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.994 -4.664 5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.104 -5.572 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.136 -6.722 7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.060 -6.052 5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.680 -4.248 7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.274 -4.907 8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.486 -2.771 7.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.008 -3.940 6.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.482 -3.217 5.936 1.00 0.00 H new ATOM 1215 N PRO A 76 9.973 -7.945 2.663 1.00 0.00 N ATOM 1216 CA PRO A 76 9.562 -9.043 1.804 1.00 0.00 C ATOM 1217 C PRO A 76 10.637 -9.356 0.761 1.00 0.00 C ATOM 1218 O PRO A 76 11.642 -8.654 0.671 1.00 0.00 O ATOM 1219 CB PRO A 76 8.250 -8.589 1.187 1.00 0.00 C ATOM 1220 CG PRO A 76 8.208 -7.079 1.357 1.00 0.00 C ATOM 1221 CD PRO A 76 9.287 -6.693 2.356 1.00 0.00 C ATOM 0 HA PRO A 76 9.428 -9.977 2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.198 -8.865 0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.402 -9.061 1.682 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.377 -6.582 0.402 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.228 -6.762 1.712 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.973 -5.959 1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.856 -6.248 3.252 1.00 0.00 H new ATOM 1229 N ASN A 77 10.387 -10.410 -0.001 1.00 0.00 N ATOM 1230 CA ASN A 77 11.320 -10.825 -1.035 1.00 0.00 C ATOM 1231 C ASN A 77 11.702 -9.612 -1.887 1.00 0.00 C ATOM 1232 O ASN A 77 10.838 -8.838 -2.294 1.00 0.00 O ATOM 1233 CB ASN A 77 10.692 -11.870 -1.957 1.00 0.00 C ATOM 1234 CG ASN A 77 9.925 -12.922 -1.151 1.00 0.00 C ATOM 1235 OD1 ASN A 77 8.687 -12.560 -0.830 1.00 0.00 O flip ATOM 1236 ND2 ASN A 77 10.426 -13.992 -0.843 1.00 0.00 N flip ATOM 0 H ASN A 77 9.551 -10.990 0.077 1.00 0.00 H new ATOM 0 HA ASN A 77 12.195 -11.254 -0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.017 -11.382 -2.660 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.470 -12.355 -2.547 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.383 -14.206 -1.122 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.887 -14.672 -0.306 1.00 0.00 H new ATOM 1243 N LYS A 78 12.999 -9.486 -2.132 1.00 0.00 N ATOM 1244 CA LYS A 78 13.505 -8.382 -2.928 1.00 0.00 C ATOM 1245 C LYS A 78 13.476 -8.770 -4.407 1.00 0.00 C ATOM 1246 O LYS A 78 14.441 -9.332 -4.924 1.00 0.00 O ATOM 1247 CB LYS A 78 14.887 -7.953 -2.431 1.00 0.00 C ATOM 1248 CG LYS A 78 14.792 -6.704 -1.554 1.00 0.00 C ATOM 1249 CD LYS A 78 15.141 -5.446 -2.351 1.00 0.00 C ATOM 1250 CE LYS A 78 16.398 -4.776 -1.794 1.00 0.00 C ATOM 1251 NZ LYS A 78 17.097 -4.020 -2.858 1.00 0.00 N ATOM 0 H LYS A 78 13.713 -10.130 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 78 12.866 -7.506 -2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.342 -8.766 -1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.538 -7.755 -3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.783 -6.615 -1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.468 -6.800 -0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.297 -5.706 -3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.306 -4.746 -2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.128 -4.104 -0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.065 -5.530 -1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.948 -3.571 -2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.371 -4.670 -3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.463 -3.287 -3.237 1.00 0.00 H new ATOM 1265 N ARG A 79 12.360 -8.453 -5.047 1.00 0.00 N ATOM 1266 CA ARG A 79 12.193 -8.763 -6.457 1.00 0.00 C ATOM 1267 C ARG A 79 12.424 -7.510 -7.306 1.00 0.00 C ATOM 1268 O ARG A 79 12.789 -6.459 -6.781 1.00 0.00 O ATOM 1269 CB ARG A 79 10.793 -9.309 -6.739 1.00 0.00 C ATOM 1270 CG ARG A 79 10.615 -10.700 -6.127 1.00 0.00 C ATOM 1271 CD ARG A 79 11.071 -11.790 -7.097 1.00 0.00 C ATOM 1272 NE ARG A 79 11.590 -12.953 -6.344 1.00 0.00 N ATOM 1273 CZ ARG A 79 12.020 -14.086 -6.916 1.00 0.00 C ATOM 1274 NH1 ARG A 79 11.998 -14.216 -8.249 1.00 0.00 N ATOM 1275 NH2 ARG A 79 12.473 -15.091 -6.153 1.00 0.00 N ATOM 0 H ARG A 79 11.563 -7.985 -4.616 1.00 0.00 H new ATOM 0 HA ARG A 79 12.927 -9.525 -6.718 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.045 -8.630 -6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.627 -9.357 -7.815 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.187 -10.770 -5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.568 -10.855 -5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.238 -12.098 -7.729 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.845 -11.400 -7.758 1.00 0.00 H new ATOM 0 HE ARG A 79 11.623 -12.888 -5.327 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.654 -13.452 -8.830 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.326 -15.079 -8.683 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.490 -14.993 -5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.800 -15.954 -6.588 1.00 0.00 H new ATOM 1289 N LYS A 80 12.202 -7.662 -8.603 1.00 0.00 N ATOM 1290 CA LYS A 80 12.382 -6.559 -9.529 1.00 0.00 C ATOM 1291 C LYS A 80 11.306 -5.502 -9.271 1.00 0.00 C ATOM 1292 O LYS A 80 11.597 -4.307 -9.239 1.00 0.00 O ATOM 1293 CB LYS A 80 12.410 -7.067 -10.972 1.00 0.00 C ATOM 1294 CG LYS A 80 13.673 -6.594 -11.695 1.00 0.00 C ATOM 1295 CD LYS A 80 13.961 -7.463 -12.919 1.00 0.00 C ATOM 1296 CE LYS A 80 13.326 -6.866 -14.178 1.00 0.00 C ATOM 1297 NZ LYS A 80 13.954 -7.432 -15.393 1.00 0.00 N ATOM 0 H LYS A 80 11.898 -8.535 -9.035 1.00 0.00 H new ATOM 0 HA LYS A 80 13.348 -6.080 -9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.369 -8.156 -10.979 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.527 -6.711 -11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.553 -5.555 -12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.522 -6.629 -11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.038 -7.554 -13.059 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.574 -8.469 -12.754 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.256 -7.072 -14.185 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.442 -5.782 -14.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.512 -7.017 -16.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.971 -7.214 -15.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.821 -8.463 -15.404 1.00 0.00 H new ATOM 1311 N GLY A 81 10.083 -5.980 -9.091 1.00 0.00 N ATOM 1312 CA GLY A 81 8.961 -5.093 -8.837 1.00 0.00 C ATOM 1313 C GLY A 81 9.018 -4.531 -7.415 1.00 0.00 C ATOM 1314 O GLY A 81 8.251 -3.635 -7.066 1.00 0.00 O ATOM 0 H GLY A 81 9.845 -6.971 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.970 -4.274 -9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.025 -5.634 -8.981 1.00 0.00 H new ATOM 1318 N PHE A 82 9.937 -5.079 -6.634 1.00 0.00 N ATOM 1319 CA PHE A 82 10.104 -4.644 -5.256 1.00 0.00 C ATOM 1320 C PHE A 82 10.962 -3.380 -5.183 1.00 0.00 C ATOM 1321 O PHE A 82 10.601 -2.420 -4.504 1.00 0.00 O ATOM 1322 CB PHE A 82 10.818 -5.775 -4.513 1.00 0.00 C ATOM 1323 CG PHE A 82 11.102 -5.471 -3.041 1.00 0.00 C ATOM 1324 CD1 PHE A 82 11.969 -4.478 -2.707 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.486 -6.193 -2.067 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.232 -4.196 -1.340 1.00 0.00 C ATOM 1327 CE2 PHE A 82 10.749 -5.911 -0.701 1.00 0.00 C ATOM 1328 CZ PHE A 82 11.615 -4.918 -0.366 1.00 0.00 C ATOM 0 H PHE A 82 10.574 -5.820 -6.928 1.00 0.00 H new ATOM 0 HA PHE A 82 9.133 -4.419 -4.816 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.210 -6.678 -4.576 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.760 -5.989 -5.017 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.457 -3.904 -3.481 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.797 -6.981 -2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.922 -3.409 -1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.261 -6.485 0.072 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.813 -4.702 0.674 1.00 0.00 H new ATOM 1338 N SER A 83 12.081 -3.420 -5.890 1.00 0.00 N ATOM 1339 CA SER A 83 12.993 -2.289 -5.913 1.00 0.00 C ATOM 1340 C SER A 83 12.337 -1.102 -6.621 1.00 0.00 C ATOM 1341 O SER A 83 12.264 -0.007 -6.065 1.00 0.00 O ATOM 1342 CB SER A 83 14.310 -2.657 -6.602 1.00 0.00 C ATOM 1343 OG SER A 83 15.277 -1.616 -6.496 1.00 0.00 O ATOM 0 H SER A 83 12.377 -4.218 -6.452 1.00 0.00 H new ATOM 0 HA SER A 83 13.218 -2.010 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.709 -3.569 -6.158 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.121 -2.871 -7.654 1.00 0.00 H new ATOM 0 HG SER A 83 16.103 -1.890 -6.946 1.00 0.00 H new ATOM 1349 N GLU A 84 11.877 -1.359 -7.836 1.00 0.00 N ATOM 1350 CA GLU A 84 11.230 -0.326 -8.627 1.00 0.00 C ATOM 1351 C GLU A 84 9.883 0.050 -8.006 1.00 0.00 C ATOM 1352 O GLU A 84 9.435 1.190 -8.128 1.00 0.00 O ATOM 1353 CB GLU A 84 11.059 -0.771 -10.079 1.00 0.00 C ATOM 1354 CG GLU A 84 9.726 -1.494 -10.279 1.00 0.00 C ATOM 1355 CD GLU A 84 9.608 -2.044 -11.702 1.00 0.00 C ATOM 1356 OE1 GLU A 84 10.668 -2.392 -12.266 1.00 0.00 O ATOM 1357 OE2 GLU A 84 8.460 -2.102 -12.193 1.00 0.00 O ATOM 0 H GLU A 84 11.939 -2.269 -8.293 1.00 0.00 H new ATOM 0 HA GLU A 84 11.869 0.557 -8.627 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.108 0.097 -10.737 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.880 -1.431 -10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.640 -2.310 -9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.903 -0.808 -10.081 1.00 0.00 H new ATOM 1364 N GLY A 85 9.273 -0.930 -7.355 1.00 0.00 N ATOM 1365 CA GLY A 85 7.986 -0.717 -6.716 1.00 0.00 C ATOM 1366 C GLY A 85 8.110 0.258 -5.543 1.00 0.00 C ATOM 1367 O GLY A 85 7.436 1.285 -5.511 1.00 0.00 O ATOM 0 H GLY A 85 9.647 -1.874 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.275 -0.327 -7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.590 -1.669 -6.362 1.00 0.00 H new ATOM 1371 N LEU A 86 8.977 -0.102 -4.608 1.00 0.00 N ATOM 1372 CA LEU A 86 9.200 0.728 -3.435 1.00 0.00 C ATOM 1373 C LEU A 86 9.658 2.119 -3.879 1.00 0.00 C ATOM 1374 O LEU A 86 9.436 3.103 -3.176 1.00 0.00 O ATOM 1375 CB LEU A 86 10.166 0.042 -2.469 1.00 0.00 C ATOM 1376 CG LEU A 86 11.070 0.967 -1.651 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.085 1.676 -2.552 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.241 1.959 -0.832 1.00 0.00 C ATOM 0 H LEU A 86 9.533 -0.956 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 86 8.271 0.860 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.585 -0.568 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.798 -0.638 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 86 11.634 0.358 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.716 2.328 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.706 0.934 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.557 2.272 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.907 2.605 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.634 2.567 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.590 1.413 -0.149 1.00 0.00 H new ATOM 1390 N TRP A 87 10.291 2.155 -5.044 1.00 0.00 N ATOM 1391 CA TRP A 87 10.782 3.408 -5.589 1.00 0.00 C ATOM 1392 C TRP A 87 9.644 4.060 -6.377 1.00 0.00 C ATOM 1393 O TRP A 87 9.650 5.270 -6.595 1.00 0.00 O ATOM 1394 CB TRP A 87 12.041 3.183 -6.431 1.00 0.00 C ATOM 1395 CG TRP A 87 13.256 3.984 -5.959 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.606 5.232 -6.301 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.274 3.538 -5.038 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.770 5.621 -5.672 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.190 4.558 -4.879 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.416 2.314 -4.361 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.312 4.458 -4.047 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.544 2.230 -3.536 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.474 3.247 -3.365 1.00 0.00 C ATOM 0 H TRP A 87 10.474 1.336 -5.624 1.00 0.00 H new ATOM 0 HA TRP A 87 11.083 4.085 -4.789 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.290 2.122 -6.417 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.825 3.446 -7.467 1.00 0.00 H new ATOM 0 HD1 TRP A 87 13.047 5.855 -6.983 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.237 6.522 -5.770 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.711 1.503 -4.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 17.014 5.271 -3.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.702 1.309 -2.994 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.319 3.104 -2.708 1.00 0.00 H new ATOM 1414 N GLU A 88 8.696 3.228 -6.783 1.00 0.00 N ATOM 1415 CA GLU A 88 7.553 3.709 -7.541 1.00 0.00 C ATOM 1416 C GLU A 88 6.617 4.514 -6.639 1.00 0.00 C ATOM 1417 O GLU A 88 5.852 5.349 -7.120 1.00 0.00 O ATOM 1418 CB GLU A 88 6.810 2.547 -8.206 1.00 0.00 C ATOM 1419 CG GLU A 88 7.238 2.386 -9.666 1.00 0.00 C ATOM 1420 CD GLU A 88 6.188 2.969 -10.614 1.00 0.00 C ATOM 1421 OE1 GLU A 88 4.989 2.801 -10.304 1.00 0.00 O ATOM 1422 OE2 GLU A 88 6.609 3.570 -11.626 1.00 0.00 O ATOM 0 H GLU A 88 8.696 2.224 -6.602 1.00 0.00 H new ATOM 0 HA GLU A 88 7.916 4.366 -8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.009 1.624 -7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.735 2.722 -8.156 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.194 2.885 -9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.389 1.330 -9.890 1.00 0.00 H new ATOM 1429 N ILE A 89 6.708 4.235 -5.347 1.00 0.00 N ATOM 1430 CA ILE A 89 5.879 4.924 -4.373 1.00 0.00 C ATOM 1431 C ILE A 89 6.694 6.037 -3.710 1.00 0.00 C ATOM 1432 O ILE A 89 6.186 7.135 -3.487 1.00 0.00 O ATOM 1433 CB ILE A 89 5.278 3.926 -3.381 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.859 4.627 -2.085 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.240 2.767 -3.119 1.00 0.00 C ATOM 1436 CD1 ILE A 89 5.998 4.613 -1.063 1.00 0.00 C ATOM 0 H ILE A 89 7.343 3.541 -4.952 1.00 0.00 H new ATOM 0 HA ILE A 89 5.031 5.401 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 89 4.377 3.503 -3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.571 5.656 -2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.983 4.132 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.788 2.072 -2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.447 2.248 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.171 3.154 -2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.675 5.117 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.267 3.582 -0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.864 5.130 -1.476 1.00 0.00 H new ATOM 1448 N GLU A 90 7.945 5.713 -3.414 1.00 0.00 N ATOM 1449 CA GLU A 90 8.836 6.671 -2.781 1.00 0.00 C ATOM 1450 C GLU A 90 9.351 7.678 -3.812 1.00 0.00 C ATOM 1451 O GLU A 90 9.668 8.815 -3.470 1.00 0.00 O ATOM 1452 CB GLU A 90 9.995 5.962 -2.081 1.00 0.00 C ATOM 1453 CG GLU A 90 9.624 5.593 -0.643 1.00 0.00 C ATOM 1454 CD GLU A 90 10.767 5.923 0.320 1.00 0.00 C ATOM 1455 OE1 GLU A 90 11.656 5.056 0.464 1.00 0.00 O ATOM 1456 OE2 GLU A 90 10.725 7.034 0.890 1.00 0.00 O ATOM 0 H GLU A 90 8.362 4.801 -3.601 1.00 0.00 H new ATOM 0 HA GLU A 90 8.274 7.214 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.262 5.061 -2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.873 6.608 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.725 6.133 -0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.390 4.530 -0.585 1.00 0.00 H new ATOM 1463 N ASN A 91 9.418 7.223 -5.055 1.00 0.00 N ATOM 1464 CA ASN A 91 9.888 8.070 -6.136 1.00 0.00 C ATOM 1465 C ASN A 91 8.942 7.934 -7.333 1.00 0.00 C ATOM 1466 O ASN A 91 9.365 7.554 -8.424 1.00 0.00 O ATOM 1467 CB ASN A 91 11.288 7.654 -6.593 1.00 0.00 C ATOM 1468 CG ASN A 91 12.212 7.434 -5.393 1.00 0.00 C ATOM 1469 OD1 ASN A 91 11.800 6.484 -4.560 1.00 0.00 O flip ATOM 1470 ND2 ASN A 91 13.232 8.085 -5.235 1.00 0.00 N flip ATOM 0 H ASN A 91 9.154 6.279 -5.336 1.00 0.00 H new ATOM 0 HA ASN A 91 9.917 9.097 -5.771 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.226 6.739 -7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.706 8.423 -7.243 1.00 0.00 H new ATOM 0 HD21 ASN A 91 13.490 8.801 -5.914 1.00 0.00 H new ATOM 0 HD22 ASN A 91 13.826 7.913 -4.424 1.00 0.00 H new ATOM 1477 N ASN A 92 7.679 8.254 -7.087 1.00 0.00 N ATOM 1478 CA ASN A 92 6.671 8.171 -8.129 1.00 0.00 C ATOM 1479 C ASN A 92 7.008 9.172 -9.238 1.00 0.00 C ATOM 1480 O ASN A 92 7.703 10.157 -8.999 1.00 0.00 O ATOM 1481 CB ASN A 92 5.286 8.521 -7.583 1.00 0.00 C ATOM 1482 CG ASN A 92 5.213 9.993 -7.171 1.00 0.00 C ATOM 1483 OD1 ASN A 92 5.577 10.891 -7.914 1.00 0.00 O ATOM 1484 ND2 ASN A 92 4.726 10.189 -5.949 1.00 0.00 N ATOM 0 H ASN A 92 7.332 8.571 -6.182 1.00 0.00 H new ATOM 0 HA ASN A 92 6.662 7.150 -8.510 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.530 8.314 -8.340 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.059 7.888 -6.725 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.638 11.136 -5.581 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.440 9.392 -5.380 1.00 0.00 H new