USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 218 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 Single : A 1 PHE N :NH3+ -171:sc= 1.16 (180deg=1.08) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.124 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 16 THR OG1 : rot 47:sc= 1.28 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 24 SER OG : rot 180:sc= -0.11 USER MOD Single : A 26 GLN : amide:sc= 0.382 X(o=0.38,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.24) USER MOD Single : A 31 ASN : amide:sc=-0.00526 X(o=-0.0053,f=0) USER MOD Single : A 32 ASN : amide:sc= 0.272 K(o=0.27,f=-1.6) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -1.900 -0.317 8.961 1.00 0.00 N ATOM 2 CA PHE A 1 -1.141 -1.091 9.929 1.00 0.00 C ATOM 3 C PHE A 1 0.316 -1.144 9.464 1.00 0.00 C ATOM 4 O PHE A 1 1.167 -0.422 9.988 1.00 0.00 O ATOM 5 CB PHE A 1 -1.815 -2.461 10.123 1.00 0.00 C ATOM 6 CG PHE A 1 -1.400 -3.195 11.385 1.00 0.00 C ATOM 7 CD1 PHE A 1 -0.135 -3.809 11.471 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.276 -3.245 12.486 1.00 0.00 C ATOM 9 CE1 PHE A 1 0.256 -4.450 12.660 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.891 -3.903 13.668 1.00 0.00 C ATOM 11 CZ PHE A 1 -0.623 -4.500 13.759 1.00 0.00 C ATOM 0 H1 PHE A 1 -2.855 -0.139 9.331 1.00 0.00 H new ATOM 0 H2 PHE A 1 -1.421 0.590 8.789 1.00 0.00 H new ATOM 0 H3 PHE A 1 -1.968 -0.847 8.069 1.00 0.00 H new ATOM 0 HA PHE A 1 -1.132 -0.632 10.917 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -2.896 -2.321 10.138 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -1.587 -3.089 9.261 1.00 0.00 H new ATOM 0 HD1 PHE A 1 0.534 -3.787 10.624 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -3.247 -2.776 12.423 1.00 0.00 H new ATOM 0 HE1 PHE A 1 1.233 -4.905 12.730 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -2.571 -3.949 14.506 1.00 0.00 H new ATOM 0 HZ PHE A 1 -0.323 -4.996 14.670 1.00 0.00 H new ATOM 20 N GLY A 2 0.551 -1.904 8.398 1.00 0.00 N ATOM 21 CA GLY A 2 1.706 -1.829 7.518 1.00 0.00 C ATOM 22 C GLY A 2 2.133 -0.392 7.253 1.00 0.00 C ATOM 23 O GLY A 2 1.275 0.484 7.187 1.00 0.00 O ATOM 0 H GLY A 2 -0.102 -2.633 8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.536 -2.377 7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 2 1.473 -2.317 6.572 1.00 0.00 H new ATOM 27 N LEU A 3 3.427 -0.136 7.055 1.00 0.00 N ATOM 28 CA LEU A 3 3.913 1.085 6.440 1.00 0.00 C ATOM 29 C LEU A 3 5.064 0.707 5.525 1.00 0.00 C ATOM 30 O LEU A 3 5.904 -0.103 5.916 1.00 0.00 O ATOM 31 CB LEU A 3 4.260 2.172 7.470 1.00 0.00 C ATOM 32 CG LEU A 3 5.471 1.873 8.370 1.00 0.00 C ATOM 33 CD1 LEU A 3 5.961 3.181 9.006 1.00 0.00 C ATOM 34 CD2 LEU A 3 5.160 0.869 9.486 1.00 0.00 C ATOM 0 H LEU A 3 4.170 -0.782 7.323 1.00 0.00 H new ATOM 0 HA LEU A 3 3.127 1.549 5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.447 3.105 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.390 2.336 8.105 1.00 0.00 H new ATOM 0 HG LEU A 3 6.236 1.426 7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.820 2.975 9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.252 3.880 8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.160 3.618 9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.055 0.701 10.085 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.368 1.265 10.121 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.836 -0.074 9.047 1.00 0.00 H new ATOM 45 N ILE A 4 5.034 1.178 4.279 1.00 0.00 N ATOM 46 CA ILE A 4 5.887 0.707 3.225 1.00 0.00 C ATOM 47 C ILE A 4 6.378 1.938 2.459 1.00 0.00 C ATOM 48 O ILE A 4 5.780 3.010 2.559 1.00 0.00 O ATOM 49 CB ILE A 4 5.056 -0.280 2.386 1.00 0.00 C ATOM 50 CG1 ILE A 4 4.191 0.392 1.324 1.00 0.00 C ATOM 51 CG2 ILE A 4 4.134 -1.165 3.257 1.00 0.00 C ATOM 52 CD1 ILE A 4 4.334 -0.330 0.001 1.00 0.00 C ATOM 0 H ILE A 4 4.395 1.916 3.983 1.00 0.00 H new ATOM 0 HA ILE A 4 6.774 0.172 3.564 1.00 0.00 H new ATOM 0 HB ILE A 4 5.807 -0.894 1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.147 0.388 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.486 1.435 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.570 -1.843 2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.739 -1.744 3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.443 -0.533 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.712 0.159 -0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.376 -0.303 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.017 -1.367 0.116 1.00 0.00 H new ATOM 63 N ASP A 5 7.439 1.786 1.680 1.00 0.00 N ATOM 64 CA ASP A 5 8.135 2.877 1.012 1.00 0.00 C ATOM 65 C ASP A 5 7.580 3.161 -0.386 1.00 0.00 C ATOM 66 O ASP A 5 7.889 4.209 -0.954 1.00 0.00 O ATOM 67 CB ASP A 5 9.613 2.485 0.896 1.00 0.00 C ATOM 68 CG ASP A 5 9.772 1.221 0.060 1.00 0.00 C ATOM 69 OD1 ASP A 5 9.197 0.198 0.502 1.00 0.00 O ATOM 70 OD2 ASP A 5 10.415 1.309 -1.004 1.00 0.00 O ATOM 0 H ASP A 5 7.852 0.873 1.489 1.00 0.00 H new ATOM 0 HA ASP A 5 7.998 3.785 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 5 10.176 3.300 0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.031 2.324 1.890 1.00 0.00 H new ATOM 74 N VAL A 6 6.819 2.236 -0.976 1.00 0.00 N ATOM 75 CA VAL A 6 6.681 2.218 -2.429 1.00 0.00 C ATOM 76 C VAL A 6 5.756 3.338 -2.928 1.00 0.00 C ATOM 77 O VAL A 6 4.668 3.539 -2.396 1.00 0.00 O ATOM 78 CB VAL A 6 6.250 0.825 -2.927 1.00 0.00 C ATOM 79 CG1 VAL A 6 6.111 0.793 -4.454 1.00 0.00 C ATOM 80 CG2 VAL A 6 7.288 -0.233 -2.522 1.00 0.00 C ATOM 0 H VAL A 6 6.302 1.508 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 6 7.661 2.420 -2.861 1.00 0.00 H new ATOM 0 HB VAL A 6 5.284 0.608 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.806 -0.204 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.360 1.519 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.068 1.042 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.969 -1.212 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.254 0.018 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.379 -0.257 -1.436 1.00 0.00 H new ATOM 90 N LYS A 7 6.211 4.022 -3.986 1.00 0.00 N ATOM 91 CA LYS A 7 5.505 5.034 -4.760 1.00 0.00 C ATOM 92 C LYS A 7 4.020 4.694 -4.936 1.00 0.00 C ATOM 93 O LYS A 7 3.672 3.862 -5.775 1.00 0.00 O ATOM 94 CB LYS A 7 6.235 5.159 -6.111 1.00 0.00 C ATOM 95 CG LYS A 7 5.496 5.987 -7.177 1.00 0.00 C ATOM 96 CD LYS A 7 5.159 5.108 -8.388 1.00 0.00 C ATOM 97 CE LYS A 7 4.244 5.862 -9.361 1.00 0.00 C ATOM 98 NZ LYS A 7 3.848 5.017 -10.503 1.00 0.00 N ATOM 0 H LYS A 7 7.153 3.866 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 7 5.516 5.989 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.213 5.608 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.409 4.158 -6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.582 6.404 -6.755 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.115 6.828 -7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.076 4.813 -8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.670 4.192 -8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.353 6.202 -8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.756 6.752 -9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.230 5.560 -11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.697 4.713 -11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.337 4.181 -10.155 1.00 0.00 H new ATOM 108 N CYS A 8 3.134 5.398 -4.226 1.00 0.00 N ATOM 109 CA CYS A 8 1.707 5.297 -4.519 1.00 0.00 C ATOM 110 C CYS A 8 1.384 6.067 -5.783 1.00 0.00 C ATOM 111 O CYS A 8 1.807 7.206 -5.944 1.00 0.00 O ATOM 112 CB CYS A 8 0.841 5.776 -3.368 1.00 0.00 C ATOM 113 SG CYS A 8 -0.398 7.071 -3.629 1.00 0.00 S ATOM 0 H CYS A 8 3.374 6.029 -3.462 1.00 0.00 H new ATOM 0 HA CYS A 8 1.478 4.241 -4.666 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.318 4.905 -2.974 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.512 6.126 -2.584 1.00 0.00 H new ATOM 117 N PHE A 9 0.588 5.468 -6.663 1.00 0.00 N ATOM 118 CA PHE A 9 -0.159 6.225 -7.658 1.00 0.00 C ATOM 119 C PHE A 9 -1.576 6.501 -7.139 1.00 0.00 C ATOM 120 O PHE A 9 -2.274 7.358 -7.668 1.00 0.00 O ATOM 121 CB PHE A 9 -0.180 5.420 -8.963 1.00 0.00 C ATOM 122 CG PHE A 9 -0.822 6.127 -10.143 1.00 0.00 C ATOM 123 CD1 PHE A 9 -0.255 7.313 -10.647 1.00 0.00 C ATOM 124 CD2 PHE A 9 -2.002 5.617 -10.717 1.00 0.00 C ATOM 125 CE1 PHE A 9 -0.864 7.983 -11.723 1.00 0.00 C ATOM 126 CE2 PHE A 9 -2.608 6.287 -11.794 1.00 0.00 C ATOM 127 CZ PHE A 9 -2.038 7.469 -12.300 1.00 0.00 C ATOM 0 H PHE A 9 0.444 4.459 -6.706 1.00 0.00 H new ATOM 0 HA PHE A 9 0.314 7.189 -7.848 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.845 5.160 -9.228 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.711 4.484 -8.787 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.648 7.709 -10.207 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.442 4.710 -10.329 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.429 8.894 -12.107 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.513 5.894 -12.234 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.502 7.981 -13.130 1.00 0.00 H new ATOM 136 N ALA A 10 -1.999 5.766 -6.104 1.00 0.00 N ATOM 137 CA ALA A 10 -3.341 5.754 -5.552 1.00 0.00 C ATOM 138 C ALA A 10 -3.323 4.734 -4.419 1.00 0.00 C ATOM 139 O ALA A 10 -2.387 3.945 -4.322 1.00 0.00 O ATOM 140 CB ALA A 10 -4.367 5.338 -6.617 1.00 0.00 C ATOM 0 H ALA A 10 -1.373 5.132 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.627 6.745 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.365 5.336 -6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.336 6.043 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.129 4.339 -6.981 1.00 0.00 H new ATOM 146 N SER A 11 -4.349 4.728 -3.572 1.00 0.00 N ATOM 147 CA SER A 11 -4.547 3.724 -2.541 1.00 0.00 C ATOM 148 C SER A 11 -4.708 2.332 -3.141 1.00 0.00 C ATOM 149 O SER A 11 -4.218 1.358 -2.577 1.00 0.00 O ATOM 150 CB SER A 11 -5.814 4.112 -1.771 1.00 0.00 C ATOM 151 OG SER A 11 -6.744 4.690 -2.673 1.00 0.00 O ATOM 0 H SER A 11 -5.080 5.439 -3.587 1.00 0.00 H new ATOM 0 HA SER A 11 -3.677 3.690 -1.885 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.248 3.233 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.571 4.818 -0.977 1.00 0.00 H new ATOM 0 HG SER A 11 -7.558 4.939 -2.188 1.00 0.00 H new ATOM 156 N SER A 12 -5.417 2.229 -4.261 1.00 0.00 N ATOM 157 CA SER A 12 -5.691 0.960 -4.904 1.00 0.00 C ATOM 158 C SER A 12 -4.395 0.221 -5.231 1.00 0.00 C ATOM 159 O SER A 12 -4.287 -0.981 -5.013 1.00 0.00 O ATOM 160 CB SER A 12 -6.545 1.222 -6.147 1.00 0.00 C ATOM 161 OG SER A 12 -6.106 2.420 -6.766 1.00 0.00 O ATOM 0 H SER A 12 -5.817 3.032 -4.746 1.00 0.00 H new ATOM 0 HA SER A 12 -6.246 0.308 -4.230 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.463 0.387 -6.843 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.596 1.305 -5.871 1.00 0.00 H new ATOM 0 HG SER A 12 -6.648 2.593 -7.564 1.00 0.00 H new ATOM 166 N GLU A 13 -3.391 0.957 -5.703 1.00 0.00 N ATOM 167 CA GLU A 13 -2.026 0.477 -5.886 1.00 0.00 C ATOM 168 C GLU A 13 -1.591 -0.414 -4.711 1.00 0.00 C ATOM 169 O GLU A 13 -1.247 -1.576 -4.900 1.00 0.00 O ATOM 170 CB GLU A 13 -1.129 1.710 -5.923 1.00 0.00 C ATOM 171 CG GLU A 13 0.229 1.490 -6.605 1.00 0.00 C ATOM 172 CD GLU A 13 1.088 0.454 -5.896 1.00 0.00 C ATOM 173 OE1 GLU A 13 1.257 0.615 -4.669 1.00 0.00 O ATOM 174 OE2 GLU A 13 1.528 -0.487 -6.588 1.00 0.00 O ATOM 0 H GLU A 13 -3.510 1.932 -5.976 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.957 -0.112 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.656 2.511 -6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.957 2.050 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.065 1.175 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.768 2.437 -6.643 1.00 0.00 H new ATOM 179 N CYS A 14 -1.662 0.139 -3.498 1.00 0.00 N ATOM 180 CA CYS A 14 -1.200 -0.406 -2.244 1.00 0.00 C ATOM 181 C CYS A 14 -1.871 -1.731 -1.987 1.00 0.00 C ATOM 182 O CYS A 14 -1.336 -2.583 -1.286 1.00 0.00 O ATOM 183 CB CYS A 14 -1.620 0.521 -1.103 1.00 0.00 C ATOM 184 SG CYS A 14 -1.289 2.262 -1.277 1.00 0.00 S ATOM 0 H CYS A 14 -2.083 1.059 -3.370 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.117 -0.515 -2.294 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.692 0.398 -0.950 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.127 0.176 -0.194 1.00 0.00 H new ATOM 188 N TRP A 15 -3.079 -1.872 -2.530 1.00 0.00 N ATOM 189 CA TRP A 15 -3.811 -3.122 -2.402 1.00 0.00 C ATOM 190 C TRP A 15 -3.017 -4.186 -3.145 1.00 0.00 C ATOM 191 O TRP A 15 -2.452 -5.092 -2.535 1.00 0.00 O ATOM 192 CB TRP A 15 -5.244 -3.004 -2.937 1.00 0.00 C ATOM 193 CG TRP A 15 -6.141 -1.977 -2.331 1.00 0.00 C ATOM 194 CD1 TRP A 15 -5.806 -1.145 -1.330 1.00 0.00 C ATOM 195 CD2 TRP A 15 -7.515 -1.642 -2.685 1.00 0.00 C ATOM 196 NE1 TRP A 15 -6.870 -0.332 -1.022 1.00 0.00 N ATOM 197 CE2 TRP A 15 -7.956 -0.584 -1.835 1.00 0.00 C ATOM 198 CE3 TRP A 15 -8.434 -2.119 -3.643 1.00 0.00 C ATOM 199 CZ2 TRP A 15 -9.242 -0.036 -1.920 1.00 0.00 C ATOM 200 CZ3 TRP A 15 -9.731 -1.573 -3.742 1.00 0.00 C ATOM 201 CH2 TRP A 15 -10.133 -0.535 -2.885 1.00 0.00 C ATOM 0 H TRP A 15 -3.563 -1.144 -3.055 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.915 -3.391 -1.351 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -5.184 -2.804 -4.007 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -5.724 -3.976 -2.820 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.844 -1.119 -0.841 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -6.858 0.371 -0.283 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.140 -2.915 -4.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.544 0.758 -1.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -10.419 -1.955 -4.481 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -11.127 -0.121 -2.968 1.00 0.00 H new ATOM 211 N THR A 16 -2.927 -4.040 -4.466 1.00 0.00 N ATOM 212 CA THR A 16 -2.114 -4.893 -5.312 1.00 0.00 C ATOM 213 C THR A 16 -0.675 -4.994 -4.798 1.00 0.00 C ATOM 214 O THR A 16 -0.089 -6.064 -4.928 1.00 0.00 O ATOM 215 CB THR A 16 -2.192 -4.385 -6.762 1.00 0.00 C ATOM 216 OG1 THR A 16 -2.556 -3.019 -6.793 1.00 0.00 O ATOM 217 CG2 THR A 16 -3.273 -5.147 -7.533 1.00 0.00 C ATOM 0 H THR A 16 -3.426 -3.314 -4.980 1.00 0.00 H new ATOM 0 HA THR A 16 -2.506 -5.910 -5.284 1.00 0.00 H new ATOM 0 HB THR A 16 -1.210 -4.534 -7.211 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.019 -2.523 -6.140 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.318 -4.778 -8.558 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.033 -6.210 -7.541 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.239 -4.996 -7.050 1.00 0.00 H new ATOM 225 N ALA A 17 -0.106 -3.949 -4.186 1.00 0.00 N ATOM 226 CA ALA A 17 1.232 -4.064 -3.614 1.00 0.00 C ATOM 227 C ALA A 17 1.248 -5.083 -2.475 1.00 0.00 C ATOM 228 O ALA A 17 2.020 -6.044 -2.499 1.00 0.00 O ATOM 229 CB ALA A 17 1.750 -2.694 -3.162 1.00 0.00 C ATOM 0 H ALA A 17 -0.543 -3.034 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 17 1.909 -4.428 -4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.749 -2.804 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.791 -2.020 -4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.080 -2.282 -2.407 1.00 0.00 H new ATOM 235 N CYS A 18 0.372 -4.905 -1.490 1.00 0.00 N ATOM 236 CA CYS A 18 0.279 -5.801 -0.346 1.00 0.00 C ATOM 237 C CYS A 18 -0.003 -7.220 -0.805 1.00 0.00 C ATOM 238 O CYS A 18 0.499 -8.186 -0.229 1.00 0.00 O ATOM 239 CB CYS A 18 -0.827 -5.370 0.612 1.00 0.00 C ATOM 240 SG CYS A 18 -0.539 -6.039 2.268 1.00 0.00 S ATOM 0 H CYS A 18 -0.294 -4.133 -1.465 1.00 0.00 H new ATOM 0 HA CYS A 18 1.236 -5.759 0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.872 -4.282 0.657 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.792 -5.713 0.239 1.00 0.00 H new ATOM 244 N LYS A 19 -0.824 -7.343 -1.848 1.00 0.00 N ATOM 245 CA LYS A 19 -1.141 -8.617 -2.440 1.00 0.00 C ATOM 246 C LYS A 19 0.108 -9.262 -3.033 1.00 0.00 C ATOM 247 O LYS A 19 0.485 -10.365 -2.658 1.00 0.00 O ATOM 248 CB LYS A 19 -2.201 -8.384 -3.514 1.00 0.00 C ATOM 249 CG LYS A 19 -3.550 -8.139 -2.877 1.00 0.00 C ATOM 250 CD LYS A 19 -4.755 -8.518 -3.752 1.00 0.00 C ATOM 251 CE LYS A 19 -4.828 -7.721 -5.059 1.00 0.00 C ATOM 252 NZ LYS A 19 -6.010 -8.094 -5.862 1.00 0.00 N ATOM 0 H LYS A 19 -1.283 -6.551 -2.298 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.524 -9.301 -1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.922 -7.529 -4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.255 -9.249 -4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.604 -8.703 -1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.626 -7.084 -2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.706 -9.582 -3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.672 -8.358 -3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.863 -6.655 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.923 -7.894 -5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.025 -7.534 -6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.964 -9.106 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.875 -7.905 -5.316 1.00 0.00 H new ATOM 262 N LYS A 20 0.738 -8.559 -3.971 1.00 0.00 N ATOM 263 CA LYS A 20 1.967 -8.983 -4.629 1.00 0.00 C ATOM 264 C LYS A 20 3.030 -9.423 -3.618 1.00 0.00 C ATOM 265 O LYS A 20 3.659 -10.457 -3.817 1.00 0.00 O ATOM 266 CB LYS A 20 2.515 -7.863 -5.524 1.00 0.00 C ATOM 267 CG LYS A 20 1.763 -7.710 -6.853 1.00 0.00 C ATOM 268 CD LYS A 20 2.090 -8.860 -7.813 1.00 0.00 C ATOM 269 CE LYS A 20 1.578 -8.562 -9.230 1.00 0.00 C ATOM 270 NZ LYS A 20 1.928 -9.635 -10.184 1.00 0.00 N ATOM 0 H LYS A 20 0.398 -7.656 -4.302 1.00 0.00 H new ATOM 0 HA LYS A 20 1.723 -9.845 -5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.468 -6.920 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.567 -8.059 -5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.690 -7.684 -6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.028 -6.760 -7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.168 -9.020 -7.839 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.639 -9.782 -7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.495 -8.438 -9.205 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.999 -7.618 -9.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.563 -9.393 -11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.962 -9.737 -10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.505 -10.531 -9.869 1.00 0.00 H new ATOM 280 N VAL A 21 3.261 -8.637 -2.564 1.00 0.00 N ATOM 281 CA VAL A 21 4.246 -8.906 -1.572 1.00 0.00 C ATOM 282 C VAL A 21 3.795 -10.096 -0.728 1.00 0.00 C ATOM 283 O VAL A 21 4.514 -11.090 -0.635 1.00 0.00 O ATOM 284 CB VAL A 21 4.314 -7.602 -0.776 1.00 0.00 C ATOM 285 CG1 VAL A 21 5.079 -7.776 0.500 1.00 0.00 C ATOM 286 CG2 VAL A 21 4.994 -6.498 -1.594 1.00 0.00 C ATOM 0 H VAL A 21 2.741 -7.776 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 21 5.226 -9.179 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 21 3.286 -7.321 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.107 -6.829 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.591 -8.531 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.096 -8.095 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.031 -5.580 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.008 -6.806 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.428 -6.321 -2.508 1.00 0.00 H new ATOM 296 N THR A 22 2.638 -9.959 -0.071 1.00 0.00 N ATOM 297 CA THR A 22 2.256 -10.779 1.048 1.00 0.00 C ATOM 298 C THR A 22 0.972 -11.570 0.739 1.00 0.00 C ATOM 299 O THR A 22 0.864 -12.735 1.115 1.00 0.00 O ATOM 300 CB THR A 22 2.168 -9.852 2.274 1.00 0.00 C ATOM 301 OG1 THR A 22 3.431 -9.760 2.901 1.00 0.00 O ATOM 302 CG2 THR A 22 1.153 -10.324 3.294 1.00 0.00 C ATOM 0 H THR A 22 1.939 -9.258 -0.319 1.00 0.00 H new ATOM 0 HA THR A 22 2.992 -11.554 1.262 1.00 0.00 H new ATOM 0 HB THR A 22 1.846 -8.878 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.368 -9.167 3.679 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.135 -9.632 4.136 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.166 -10.362 2.834 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.427 -11.318 3.647 1.00 0.00 H new ATOM 310 N GLY A 23 -0.018 -10.938 0.091 1.00 0.00 N ATOM 311 CA GLY A 23 -1.320 -11.531 -0.238 1.00 0.00 C ATOM 312 C GLY A 23 -2.488 -10.753 0.381 1.00 0.00 C ATOM 313 O GLY A 23 -3.627 -10.832 -0.076 1.00 0.00 O ATOM 0 H GLY A 23 0.069 -9.973 -0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.440 -11.561 -1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.346 -12.562 0.114 1.00 0.00 H new ATOM 317 N SER A 24 -2.211 -9.982 1.428 1.00 0.00 N ATOM 318 CA SER A 24 -3.198 -9.495 2.385 1.00 0.00 C ATOM 319 C SER A 24 -3.793 -8.175 1.907 1.00 0.00 C ATOM 320 O SER A 24 -3.656 -7.158 2.573 1.00 0.00 O ATOM 321 CB SER A 24 -2.521 -9.350 3.753 1.00 0.00 C ATOM 322 OG SER A 24 -1.918 -10.576 4.118 1.00 0.00 O ATOM 0 H SER A 24 -1.264 -9.669 1.640 1.00 0.00 H new ATOM 0 HA SER A 24 -4.022 -10.204 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.770 -8.561 3.716 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.255 -9.057 4.504 1.00 0.00 H new ATOM 0 HG SER A 24 -1.485 -10.480 4.992 1.00 0.00 H new ATOM 327 N GLY A 25 -4.441 -8.206 0.743 1.00 0.00 N ATOM 328 CA GLY A 25 -4.584 -7.070 -0.161 1.00 0.00 C ATOM 329 C GLY A 25 -5.368 -5.819 0.277 1.00 0.00 C ATOM 330 O GLY A 25 -5.857 -5.116 -0.600 1.00 0.00 O ATOM 0 H GLY A 25 -4.895 -9.050 0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.579 -6.743 -0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.052 -7.441 -1.073 1.00 0.00 H new ATOM 334 N GLN A 26 -5.532 -5.525 1.567 1.00 0.00 N ATOM 335 CA GLN A 26 -6.321 -4.409 2.067 1.00 0.00 C ATOM 336 C GLN A 26 -5.396 -3.328 2.630 1.00 0.00 C ATOM 337 O GLN A 26 -4.669 -3.588 3.589 1.00 0.00 O ATOM 338 CB GLN A 26 -7.280 -4.931 3.138 1.00 0.00 C ATOM 339 CG GLN A 26 -8.086 -6.114 2.598 1.00 0.00 C ATOM 340 CD GLN A 26 -9.213 -6.508 3.543 1.00 0.00 C ATOM 341 OE1 GLN A 26 -10.374 -6.197 3.303 1.00 0.00 O ATOM 342 NE2 GLN A 26 -8.883 -7.202 4.628 1.00 0.00 N ATOM 0 H GLN A 26 -5.105 -6.076 2.312 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.900 -3.961 1.259 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.718 -5.237 4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.955 -4.135 3.451 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.502 -5.856 1.624 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.424 -6.966 2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.908 -7.446 4.800 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.605 -7.491 5.288 1.00 0.00 H new ATOM 349 N GLY A 27 -5.421 -2.122 2.049 1.00 0.00 N ATOM 350 CA GLY A 27 -4.506 -1.052 2.422 1.00 0.00 C ATOM 351 C GLY A 27 -4.974 0.311 1.914 1.00 0.00 C ATOM 352 O GLY A 27 -6.099 0.440 1.432 1.00 0.00 O ATOM 0 H GLY A 27 -6.076 -1.867 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.410 -1.020 3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.516 -1.267 2.021 1.00 0.00 H new ATOM 356 N LYS A 28 -4.121 1.333 2.027 1.00 0.00 N ATOM 357 CA LYS A 28 -4.340 2.674 1.491 1.00 0.00 C ATOM 358 C LYS A 28 -2.978 3.330 1.301 1.00 0.00 C ATOM 359 O LYS A 28 -2.021 2.933 1.970 1.00 0.00 O ATOM 360 CB LYS A 28 -5.176 3.547 2.446 1.00 0.00 C ATOM 361 CG LYS A 28 -6.625 3.078 2.636 1.00 0.00 C ATOM 362 CD LYS A 28 -7.413 4.145 3.411 1.00 0.00 C ATOM 363 CE LYS A 28 -8.848 3.704 3.744 1.00 0.00 C ATOM 364 NZ LYS A 28 -9.680 3.514 2.539 1.00 0.00 N ATOM 0 H LYS A 28 -3.228 1.243 2.512 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.886 2.588 0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.685 3.571 3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.185 4.569 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.091 2.900 1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.644 2.132 3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.886 4.378 4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.447 5.063 2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.816 2.772 4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.313 4.451 4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.636 3.217 2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.736 4.408 2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.254 2.782 1.935 1.00 0.00 H new ATOM 374 N CYS A 29 -2.888 4.316 0.402 1.00 0.00 N ATOM 375 CA CYS A 29 -1.639 5.027 0.171 1.00 0.00 C ATOM 376 C CYS A 29 -1.599 6.256 1.071 1.00 0.00 C ATOM 377 O CYS A 29 -2.641 6.722 1.527 1.00 0.00 O ATOM 378 CB CYS A 29 -1.401 5.428 -1.294 1.00 0.00 C ATOM 379 SG CYS A 29 -1.346 7.172 -1.770 1.00 0.00 S ATOM 0 H CYS A 29 -3.667 4.635 -0.174 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.831 4.336 0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.455 4.981 -1.601 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.184 4.957 -1.888 1.00 0.00 H new ATOM 383 N GLN A 30 -0.402 6.788 1.289 1.00 0.00 N ATOM 384 CA GLN A 30 -0.188 8.101 1.855 1.00 0.00 C ATOM 385 C GLN A 30 0.861 8.766 0.979 1.00 0.00 C ATOM 386 O GLN A 30 1.933 8.195 0.805 1.00 0.00 O ATOM 387 CB GLN A 30 0.356 7.946 3.282 1.00 0.00 C ATOM 388 CG GLN A 30 0.454 9.273 4.046 1.00 0.00 C ATOM 389 CD GLN A 30 -0.890 9.986 4.129 1.00 0.00 C ATOM 390 OE1 GLN A 30 -1.175 10.867 3.324 1.00 0.00 O ATOM 391 NE2 GLN A 30 -1.732 9.599 5.081 1.00 0.00 N ATOM 0 H GLN A 30 0.466 6.299 1.069 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.106 8.687 1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.288 7.263 3.836 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.344 7.487 3.238 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.827 9.085 5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.179 9.922 3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.461 8.863 5.733 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.649 10.038 5.160 1.00 0.00 H new ATOM 398 N ASN A 31 0.591 9.966 0.463 1.00 0.00 N ATOM 399 CA ASN A 31 1.620 10.829 -0.111 1.00 0.00 C ATOM 400 C ASN A 31 2.194 10.273 -1.429 1.00 0.00 C ATOM 401 O ASN A 31 1.830 10.711 -2.517 1.00 0.00 O ATOM 402 CB ASN A 31 2.706 11.080 0.956 1.00 0.00 C ATOM 403 CG ASN A 31 3.523 12.315 0.608 1.00 0.00 C ATOM 404 OD1 ASN A 31 3.259 13.402 1.114 1.00 0.00 O ATOM 405 ND2 ASN A 31 4.522 12.170 -0.259 1.00 0.00 N ATOM 0 H ASN A 31 -0.347 10.365 0.432 1.00 0.00 H new ATOM 0 HA ASN A 31 1.171 11.783 -0.388 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.241 11.209 1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.361 10.212 1.027 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.092 12.975 -0.519 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.718 11.254 -0.663 1.00 0.00 H new ATOM 411 N ASN A 32 3.094 9.301 -1.309 1.00 0.00 N ATOM 412 CA ASN A 32 3.686 8.441 -2.312 1.00 0.00 C ATOM 413 C ASN A 32 4.403 7.286 -1.613 1.00 0.00 C ATOM 414 O ASN A 32 5.525 6.926 -1.949 1.00 0.00 O ATOM 415 CB ASN A 32 4.584 9.244 -3.263 1.00 0.00 C ATOM 416 CG ASN A 32 4.067 9.045 -4.658 1.00 0.00 C ATOM 417 OD1 ASN A 32 4.705 8.437 -5.505 1.00 0.00 O ATOM 418 ND2 ASN A 32 2.824 9.471 -4.830 1.00 0.00 N ATOM 0 H ASN A 32 3.467 9.076 -0.387 1.00 0.00 H new ATOM 0 HA ASN A 32 2.913 8.008 -2.947 1.00 0.00 H new ATOM 0 HB2 ASN A 32 4.572 10.301 -2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.618 8.908 -3.187 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.343 9.296 -5.712 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.349 9.973 -4.080 1.00 0.00 H new ATOM 424 N GLN A 33 3.720 6.717 -0.624 1.00 0.00 N ATOM 425 CA GLN A 33 4.084 5.586 0.194 1.00 0.00 C ATOM 426 C GLN A 33 2.750 4.907 0.509 1.00 0.00 C ATOM 427 O GLN A 33 1.707 5.402 0.072 1.00 0.00 O ATOM 428 CB GLN A 33 4.764 6.091 1.471 1.00 0.00 C ATOM 429 CG GLN A 33 6.166 6.637 1.180 1.00 0.00 C ATOM 430 CD GLN A 33 6.958 6.871 2.461 1.00 0.00 C ATOM 431 OE1 GLN A 33 6.421 7.358 3.453 1.00 0.00 O ATOM 432 NE2 GLN A 33 8.243 6.534 2.457 1.00 0.00 N ATOM 0 H GLN A 33 2.806 7.081 -0.356 1.00 0.00 H new ATOM 0 HA GLN A 33 4.780 4.901 -0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.155 6.873 1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.831 5.279 2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.704 5.936 0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.084 7.573 0.627 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.662 6.131 1.619 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.811 6.678 3.292 1.00 0.00 H new ATOM 439 N CYS A 34 2.727 3.801 1.250 1.00 0.00 N ATOM 440 CA CYS A 34 1.515 3.017 1.372 1.00 0.00 C ATOM 441 C CYS A 34 1.514 2.244 2.679 1.00 0.00 C ATOM 442 O CYS A 34 2.542 2.126 3.348 1.00 0.00 O ATOM 443 CB CYS A 34 1.445 2.066 0.170 1.00 0.00 C ATOM 444 SG CYS A 34 0.752 2.439 -1.458 1.00 0.00 S ATOM 0 H CYS A 34 3.527 3.436 1.767 1.00 0.00 H new ATOM 0 HA CYS A 34 0.640 3.667 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.473 1.754 -0.015 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.904 1.188 0.523 1.00 0.00 H new ATOM 448 N ARG A 35 0.332 1.747 3.044 1.00 0.00 N ATOM 449 CA ARG A 35 0.069 1.001 4.254 1.00 0.00 C ATOM 450 C ARG A 35 -0.877 -0.130 3.937 1.00 0.00 C ATOM 451 O ARG A 35 -1.691 -0.022 3.017 1.00 0.00 O ATOM 452 CB ARG A 35 -0.587 1.895 5.307 1.00 0.00 C ATOM 453 CG ARG A 35 0.409 2.980 5.693 1.00 0.00 C ATOM 454 CD ARG A 35 -0.002 3.736 6.951 1.00 0.00 C ATOM 455 NE ARG A 35 0.241 2.832 8.065 1.00 0.00 N ATOM 456 CZ ARG A 35 -0.076 3.009 9.354 1.00 0.00 C ATOM 457 NH1 ARG A 35 -0.734 4.116 9.718 1.00 0.00 N ATOM 458 NH2 ARG A 35 0.262 2.099 10.271 1.00 0.00 N ATOM 0 H ARG A 35 -0.502 1.865 2.469 1.00 0.00 H new ATOM 0 HA ARG A 35 1.014 0.622 4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.501 2.340 4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.869 1.309 6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.389 2.529 5.849 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.510 3.685 4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.577 4.653 7.061 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.052 4.025 6.906 1.00 0.00 H new ATOM 0 HE ARG A 35 0.710 1.956 7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.988 4.812 9.017 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.982 4.264 10.696 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.767 1.258 9.993 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.015 2.245 11.250 1.00 0.00 H new ATOM 469 N CYS A 36 -0.777 -1.188 4.739 1.00 0.00 N ATOM 470 CA CYS A 36 -1.627 -2.369 4.604 1.00 0.00 C ATOM 471 C CYS A 36 -2.172 -2.755 5.968 1.00 0.00 C ATOM 472 O CYS A 36 -1.687 -2.246 6.970 1.00 0.00 O ATOM 473 CB CYS A 36 -0.837 -3.485 3.916 1.00 0.00 C ATOM 474 SG CYS A 36 -1.823 -4.931 3.467 1.00 0.00 S ATOM 0 H CYS A 36 -0.103 -1.251 5.502 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.491 -2.164 3.972 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.373 -3.083 3.015 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.030 -3.802 4.576 1.00 0.00 H new ATOM 478 N TYR A 37 -3.223 -3.566 6.028 1.00 0.00 N ATOM 479 CA TYR A 37 -3.858 -3.952 7.276 1.00 0.00 C ATOM 480 C TYR A 37 -3.087 -5.083 7.969 1.00 0.00 C ATOM 481 O TYR A 37 -1.904 -5.295 7.705 1.00 0.00 O ATOM 482 CB TYR A 37 -5.327 -4.300 7.008 1.00 0.00 C ATOM 483 CG TYR A 37 -5.655 -5.779 6.913 1.00 0.00 C ATOM 484 CD1 TYR A 37 -5.249 -6.526 5.790 1.00 0.00 C ATOM 485 CD2 TYR A 37 -6.395 -6.402 7.935 1.00 0.00 C ATOM 486 CE1 TYR A 37 -5.662 -7.862 5.650 1.00 0.00 C ATOM 487 CE2 TYR A 37 -6.750 -7.755 7.822 1.00 0.00 C ATOM 488 CZ TYR A 37 -6.387 -8.486 6.680 1.00 0.00 C ATOM 489 OH TYR A 37 -6.814 -9.771 6.541 1.00 0.00 O ATOM 0 H TYR A 37 -3.659 -3.976 5.202 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.836 -3.115 7.974 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.933 -3.864 7.802 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.629 -3.821 6.077 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.621 -6.073 5.037 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.690 -5.838 8.808 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.422 -8.410 4.751 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.304 -8.235 8.615 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.298 -10.044 7.348 1.00 0.00 H new TER 498 TYR A 37