USER MOD reduce.3.24.130724 H: found=0, std=0, add=359, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 352 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 22 CYS SG : rot 133:sc= 0.808 USER MOD Set 1.2: A 24 ASN : amide:sc= -0.572 K(o=0.068,f=-0.77) USER MOD Set 1.3: A 27 CYS SG : rot 81:sc= -0.747 USER MOD Set 1.4: A 49 CYS SG : rot -148:sc= 0.316 USER MOD Set 1.5: A 52 CYS SG : rot 140:sc= 0.263 USER MOD Set 2.1: A 9 CYS SG : rot 50:sc= 0.554 USER MOD Set 2.2: A 11 CYS SG : rot -71:sc= -0.792 USER MOD Set 2.3: A 19 MET CE :methyl -178:sc= -6.81! (180deg=-6.55!) USER MOD Set 2.4: A 33 HIS :FLIP no HD1:sc= -0.625 F(o=-9.7,f=-7.6) USER MOD Set 2.5: A 36 CYS SG : rot 175:sc= 0.0827 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= 0.379 F(o=-0.32,f=0.38) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 15 SER OG : rot 43:sc= 0.789 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0209 K(o=-0.021,f=-0.59) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 95:sc= 0.197 USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0789) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -174:sc= 0.169 USER MOD Single : A 51 GLN : amide:sc= -4.08! C(o=-4.1!,f=-14!) USER MOD Single : A 53 THR OG1 : rot 80:sc= 0.0489 USER MOD Single : A 56 MET CE :methyl -129:sc= -0.363 (180deg=-2.9!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 8.478 11.452 3.415 1.00 0.00 N ATOM 60 CA GLY A 7 8.166 10.049 3.618 1.00 0.00 C ATOM 61 C GLY A 7 7.119 9.541 2.647 1.00 0.00 C ATOM 62 O GLY A 7 5.964 9.965 2.691 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.075 9.458 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.812 9.903 4.638 1.00 0.00 H new ATOM 66 N TYR A 8 7.522 8.631 1.768 1.00 0.00 N ATOM 67 CA TYR A 8 6.611 8.067 0.779 1.00 0.00 C ATOM 68 C TYR A 8 6.199 6.649 1.163 1.00 0.00 C ATOM 69 O TYR A 8 5.043 6.397 1.504 1.00 0.00 O ATOM 70 CB TYR A 8 7.265 8.063 -0.604 1.00 0.00 C ATOM 71 CG TYR A 8 7.118 9.371 -1.347 1.00 0.00 C ATOM 72 CD1 TYR A 8 8.019 10.410 -1.150 1.00 0.00 C ATOM 73 CD2 TYR A 8 6.077 9.569 -2.247 1.00 0.00 C ATOM 74 CE1 TYR A 8 7.888 11.608 -1.826 1.00 0.00 C ATOM 75 CE2 TYR A 8 5.940 10.762 -2.929 1.00 0.00 C ATOM 76 CZ TYR A 8 6.847 11.778 -2.715 1.00 0.00 C ATOM 77 OH TYR A 8 6.713 12.969 -3.391 1.00 0.00 O ATOM 0 H TYR A 8 8.474 8.268 1.720 1.00 0.00 H new ATOM 0 HA TYR A 8 5.717 8.690 0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.325 7.834 -0.495 1.00 0.00 H new ATOM 0 HB3 TYR A 8 6.826 7.264 -1.202 1.00 0.00 H new ATOM 0 HD1 TYR A 8 8.836 10.279 -0.456 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.363 8.776 -2.416 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.596 12.406 -1.659 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.127 10.898 -3.626 1.00 0.00 H new ATOM 0 HH TYR A 8 5.930 12.925 -3.979 1.00 0.00 H new ATOM 87 N CYS A 9 7.154 5.727 1.107 1.00 0.00 N ATOM 88 CA CYS A 9 6.893 4.334 1.449 1.00 0.00 C ATOM 89 C CYS A 9 6.079 4.233 2.735 1.00 0.00 C ATOM 90 O CYS A 9 5.993 5.191 3.504 1.00 0.00 O ATOM 91 CB CYS A 9 8.209 3.570 1.603 1.00 0.00 C ATOM 92 SG CYS A 9 8.002 1.794 1.951 1.00 0.00 S ATOM 0 H CYS A 9 8.116 5.919 0.828 1.00 0.00 H new ATOM 0 HA CYS A 9 6.315 3.889 0.639 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.792 3.685 0.689 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.787 4.022 2.409 1.00 0.00 H new ATOM 0 HG CYS A 9 7.172 1.278 1.094 1.00 0.00 H new ATOM 97 N ILE A 10 5.485 3.066 2.963 1.00 0.00 N ATOM 98 CA ILE A 10 4.679 2.840 4.156 1.00 0.00 C ATOM 99 C ILE A 10 5.470 3.155 5.421 1.00 0.00 C ATOM 100 O ILE A 10 4.899 3.517 6.450 1.00 0.00 O ATOM 101 CB ILE A 10 4.176 1.386 4.229 1.00 0.00 C ATOM 102 CG1 ILE A 10 5.306 0.414 3.881 1.00 0.00 C ATOM 103 CG2 ILE A 10 2.993 1.188 3.293 1.00 0.00 C ATOM 104 CD1 ILE A 10 5.020 -1.015 4.285 1.00 0.00 C ATOM 0 H ILE A 10 5.547 2.263 2.337 1.00 0.00 H new ATOM 0 HA ILE A 10 3.822 3.510 4.089 1.00 0.00 H new ATOM 0 HB ILE A 10 3.847 1.181 5.248 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.487 0.450 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.222 0.745 4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.648 0.156 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.184 1.859 3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.298 1.407 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.863 -1.647 4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.868 -1.065 5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.122 -1.364 3.776 1.00 0.00 H new ATOM 116 N CYS A 11 6.789 3.018 5.337 1.00 0.00 N ATOM 117 CA CYS A 11 7.661 3.289 6.474 1.00 0.00 C ATOM 118 C CYS A 11 7.931 4.785 6.607 1.00 0.00 C ATOM 119 O CYS A 11 8.805 5.203 7.365 1.00 0.00 O ATOM 120 CB CYS A 11 8.982 2.533 6.322 1.00 0.00 C ATOM 121 SG CYS A 11 9.921 2.970 4.824 1.00 0.00 S ATOM 0 H CYS A 11 7.278 2.721 4.493 1.00 0.00 H new ATOM 0 HA CYS A 11 7.156 2.946 7.377 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.603 2.728 7.197 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.776 1.463 6.310 1.00 0.00 H new ATOM 0 HG CYS A 11 9.315 2.493 3.777 1.00 0.00 H new ATOM 126 N ASN A 12 7.173 5.586 5.866 1.00 0.00 N ATOM 127 CA ASN A 12 7.330 7.036 5.901 1.00 0.00 C ATOM 128 C ASN A 12 8.796 7.428 5.744 1.00 0.00 C ATOM 129 O ASN A 12 9.334 8.187 6.550 1.00 0.00 O ATOM 130 CB ASN A 12 6.777 7.598 7.212 1.00 0.00 C ATOM 131 CG ASN A 12 6.492 9.085 7.128 1.00 0.00 C ATOM 132 OD1 ASN A 12 5.213 9.441 7.087 1.00 0.00 O flip ATOM 133 ND2 ASN A 12 7.411 9.904 7.102 1.00 0.00 N flip ATOM 0 H ASN A 12 6.444 5.256 5.234 1.00 0.00 H new ATOM 0 HA ASN A 12 6.768 7.458 5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.860 7.069 7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.491 7.412 8.014 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.379 9.585 7.136 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.204 10.901 7.047 1.00 0.00 H new ATOM 140 N GLN A 13 9.435 6.905 4.702 1.00 0.00 N ATOM 141 CA GLN A 13 10.838 7.201 4.440 1.00 0.00 C ATOM 142 C GLN A 13 11.029 7.720 3.019 1.00 0.00 C ATOM 143 O GLN A 13 10.195 7.486 2.144 1.00 0.00 O ATOM 144 CB GLN A 13 11.694 5.952 4.660 1.00 0.00 C ATOM 145 CG GLN A 13 11.762 5.510 6.113 1.00 0.00 C ATOM 146 CD GLN A 13 12.939 6.115 6.853 1.00 0.00 C ATOM 147 OE1 GLN A 13 12.881 7.421 7.089 1.00 0.00 O flip ATOM 148 NE2 GLN A 13 13.889 5.418 7.208 1.00 0.00 N flip ATOM 0 H GLN A 13 9.003 6.275 4.026 1.00 0.00 H new ATOM 0 HA GLN A 13 11.156 7.978 5.136 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.293 5.136 4.059 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.704 6.146 4.300 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.837 5.790 6.618 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.831 4.423 6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 13 13.892 4.418 7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 13 14.674 5.840 7.705 1.00 0.00 H new ATOM 157 N VAL A 14 12.134 8.425 2.795 1.00 0.00 N ATOM 158 CA VAL A 14 12.435 8.976 1.479 1.00 0.00 C ATOM 159 C VAL A 14 12.447 7.884 0.416 1.00 0.00 C ATOM 160 O VAL A 14 12.664 6.711 0.718 1.00 0.00 O ATOM 161 CB VAL A 14 13.795 9.700 1.472 1.00 0.00 C ATOM 162 CG1 VAL A 14 13.705 11.012 2.236 1.00 0.00 C ATOM 163 CG2 VAL A 14 14.877 8.805 2.057 1.00 0.00 C ATOM 0 H VAL A 14 12.835 8.628 3.508 1.00 0.00 H new ATOM 0 HA VAL A 14 11.648 9.694 1.248 1.00 0.00 H new ATOM 0 HB VAL A 14 14.062 9.927 0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.675 11.509 2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.960 11.655 1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.416 10.813 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 14 15.831 9.332 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 14 14.619 8.546 3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 14 14.957 7.895 1.462 1.00 0.00 H new ATOM 173 N SER A 15 12.214 8.278 -0.832 1.00 0.00 N ATOM 174 CA SER A 15 12.195 7.332 -1.942 1.00 0.00 C ATOM 175 C SER A 15 13.613 6.970 -2.371 1.00 0.00 C ATOM 176 O SER A 15 14.214 7.649 -3.204 1.00 0.00 O ATOM 177 CB SER A 15 11.425 7.919 -3.127 1.00 0.00 C ATOM 178 OG SER A 15 12.004 9.138 -3.557 1.00 0.00 O ATOM 0 H SER A 15 12.036 9.246 -1.100 1.00 0.00 H new ATOM 0 HA SER A 15 11.693 6.425 -1.606 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.419 7.205 -3.951 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.386 8.086 -2.843 1.00 0.00 H new ATOM 0 HG SER A 15 12.980 9.051 -3.568 1.00 0.00 H new ATOM 184 N TYR A 16 14.142 5.895 -1.797 1.00 0.00 N ATOM 185 CA TYR A 16 15.491 5.443 -2.118 1.00 0.00 C ATOM 186 C TYR A 16 15.493 3.967 -2.504 1.00 0.00 C ATOM 187 O TYR A 16 14.466 3.293 -2.432 1.00 0.00 O ATOM 188 CB TYR A 16 16.424 5.672 -0.928 1.00 0.00 C ATOM 189 CG TYR A 16 16.180 4.724 0.225 1.00 0.00 C ATOM 190 CD1 TYR A 16 16.713 3.440 0.219 1.00 0.00 C ATOM 191 CD2 TYR A 16 15.416 5.110 1.319 1.00 0.00 C ATOM 192 CE1 TYR A 16 16.492 2.570 1.269 1.00 0.00 C ATOM 193 CE2 TYR A 16 15.191 4.248 2.374 1.00 0.00 C ATOM 194 CZ TYR A 16 15.731 2.978 2.344 1.00 0.00 C ATOM 195 OH TYR A 16 15.508 2.116 3.392 1.00 0.00 O ATOM 0 H TYR A 16 13.658 5.321 -1.107 1.00 0.00 H new ATOM 0 HA TYR A 16 15.849 6.023 -2.969 1.00 0.00 H new ATOM 0 HB2 TYR A 16 17.456 5.567 -1.261 1.00 0.00 H new ATOM 0 HB3 TYR A 16 16.305 6.697 -0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 16 17.310 3.117 -0.621 1.00 0.00 H new ATOM 0 HD2 TYR A 16 14.990 6.102 1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 16 16.913 1.576 1.248 1.00 0.00 H new ATOM 0 HE2 TYR A 16 14.596 4.566 3.218 1.00 0.00 H new ATOM 0 HH TYR A 16 14.954 2.559 4.068 1.00 0.00 H new ATOM 205 N GLY A 17 16.657 3.471 -2.913 1.00 0.00 N ATOM 206 CA GLY A 17 16.773 2.078 -3.304 1.00 0.00 C ATOM 207 C GLY A 17 15.707 1.665 -4.300 1.00 0.00 C ATOM 208 O GLY A 17 14.903 2.488 -4.734 1.00 0.00 O ATOM 0 H GLY A 17 17.521 4.009 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 17 17.758 1.907 -3.738 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.701 1.448 -2.418 1.00 0.00 H new ATOM 212 N GLU A 18 15.702 0.386 -4.662 1.00 0.00 N ATOM 213 CA GLU A 18 14.728 -0.134 -5.615 1.00 0.00 C ATOM 214 C GLU A 18 13.304 0.079 -5.108 1.00 0.00 C ATOM 215 O GLU A 18 12.919 -0.452 -4.067 1.00 0.00 O ATOM 216 CB GLU A 18 14.973 -1.623 -5.869 1.00 0.00 C ATOM 217 CG GLU A 18 16.219 -1.903 -6.692 1.00 0.00 C ATOM 218 CD GLU A 18 16.643 -3.357 -6.633 1.00 0.00 C ATOM 219 OE1 GLU A 18 15.762 -4.236 -6.741 1.00 0.00 O ATOM 220 OE2 GLU A 18 17.854 -3.617 -6.479 1.00 0.00 O ATOM 0 H GLU A 18 16.361 -0.309 -4.310 1.00 0.00 H new ATOM 0 HA GLU A 18 14.848 0.411 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.057 -2.137 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.107 -2.043 -6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.035 -1.624 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.035 -1.276 -6.333 1.00 0.00 H new ATOM 227 N MET A 19 12.528 0.861 -5.852 1.00 0.00 N ATOM 228 CA MET A 19 11.147 1.144 -5.479 1.00 0.00 C ATOM 229 C MET A 19 10.185 0.694 -6.574 1.00 0.00 C ATOM 230 O MET A 19 10.482 0.815 -7.763 1.00 0.00 O ATOM 231 CB MET A 19 10.966 2.638 -5.207 1.00 0.00 C ATOM 232 CG MET A 19 11.733 3.132 -3.991 1.00 0.00 C ATOM 233 SD MET A 19 10.914 4.511 -3.166 1.00 0.00 S ATOM 234 CE MET A 19 9.473 3.692 -2.488 1.00 0.00 C ATOM 0 H MET A 19 12.832 1.310 -6.716 1.00 0.00 H new ATOM 0 HA MET A 19 10.921 0.587 -4.570 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.289 3.200 -6.083 1.00 0.00 H new ATOM 0 HB3 MET A 19 9.906 2.848 -5.067 1.00 0.00 H new ATOM 0 HG2 MET A 19 11.854 2.311 -3.284 1.00 0.00 H new ATOM 0 HG3 MET A 19 12.733 3.439 -4.297 1.00 0.00 H new ATOM 0 HE1 MET A 19 8.846 4.423 -1.977 1.00 0.00 H new ATOM 0 HE2 MET A 19 8.905 3.228 -3.294 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.789 2.926 -1.779 1.00 0.00 H new ATOM 244 N VAL A 20 9.032 0.175 -6.166 1.00 0.00 N ATOM 245 CA VAL A 20 8.026 -0.292 -7.112 1.00 0.00 C ATOM 246 C VAL A 20 6.780 0.584 -7.067 1.00 0.00 C ATOM 247 O VAL A 20 6.003 0.528 -6.114 1.00 0.00 O ATOM 248 CB VAL A 20 7.624 -1.752 -6.829 1.00 0.00 C ATOM 249 CG1 VAL A 20 7.248 -1.929 -5.366 1.00 0.00 C ATOM 250 CG2 VAL A 20 6.480 -2.175 -7.738 1.00 0.00 C ATOM 0 H VAL A 20 8.771 0.067 -5.186 1.00 0.00 H new ATOM 0 HA VAL A 20 8.473 -0.232 -8.104 1.00 0.00 H new ATOM 0 HB VAL A 20 8.480 -2.393 -7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.967 -2.967 -5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.100 -1.669 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.407 -1.278 -5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.209 -3.209 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.619 -1.530 -7.563 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.792 -2.089 -8.779 1.00 0.00 H new ATOM 260 N GLY A 21 6.594 1.395 -8.104 1.00 0.00 N ATOM 261 CA GLY A 21 5.440 2.272 -8.163 1.00 0.00 C ATOM 262 C GLY A 21 4.135 1.507 -8.256 1.00 0.00 C ATOM 263 O GLY A 21 3.986 0.618 -9.095 1.00 0.00 O ATOM 0 H GLY A 21 7.223 1.460 -8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.424 2.906 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.533 2.932 -9.025 1.00 0.00 H new ATOM 267 N CYS A 22 3.186 1.852 -7.392 1.00 0.00 N ATOM 268 CA CYS A 22 1.887 1.190 -7.378 1.00 0.00 C ATOM 269 C CYS A 22 1.160 1.390 -8.705 1.00 0.00 C ATOM 270 O CYS A 22 0.960 2.520 -9.151 1.00 0.00 O ATOM 271 CB CYS A 22 1.030 1.727 -6.229 1.00 0.00 C ATOM 272 SG CYS A 22 -0.552 0.852 -6.009 1.00 0.00 S ATOM 0 H CYS A 22 3.292 2.586 -6.692 1.00 0.00 H new ATOM 0 HA CYS A 22 2.053 0.123 -7.232 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.601 1.661 -5.303 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.827 2.784 -6.404 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.722 0.572 -4.751 1.00 0.00 H new ATOM 277 N ASP A 23 0.768 0.285 -9.330 1.00 0.00 N ATOM 278 CA ASP A 23 0.063 0.338 -10.605 1.00 0.00 C ATOM 279 C ASP A 23 -1.027 1.405 -10.580 1.00 0.00 C ATOM 280 O ASP A 23 -1.256 2.095 -11.572 1.00 0.00 O ATOM 281 CB ASP A 23 -0.549 -1.026 -10.930 1.00 0.00 C ATOM 282 CG ASP A 23 -1.573 -0.950 -12.046 1.00 0.00 C ATOM 283 OD1 ASP A 23 -2.715 -0.524 -11.775 1.00 0.00 O ATOM 284 OD2 ASP A 23 -1.231 -1.315 -13.190 1.00 0.00 O ATOM 0 H ASP A 23 0.927 -0.658 -8.974 1.00 0.00 H new ATOM 0 HA ASP A 23 0.784 0.599 -11.380 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.244 -1.718 -11.215 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.021 -1.432 -10.035 1.00 0.00 H new ATOM 289 N ASN A 24 -1.696 1.533 -9.438 1.00 0.00 N ATOM 290 CA ASN A 24 -2.763 2.515 -9.285 1.00 0.00 C ATOM 291 C ASN A 24 -2.189 3.911 -9.057 1.00 0.00 C ATOM 292 O ASN A 24 -1.767 4.246 -7.951 1.00 0.00 O ATOM 293 CB ASN A 24 -3.674 2.130 -8.118 1.00 0.00 C ATOM 294 CG ASN A 24 -4.997 2.871 -8.148 1.00 0.00 C ATOM 295 OD1 ASN A 24 -5.541 3.150 -9.217 1.00 0.00 O ATOM 296 ND2 ASN A 24 -5.522 3.194 -6.972 1.00 0.00 N ATOM 0 H ASN A 24 -1.518 0.970 -8.606 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.347 2.527 -10.205 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.861 1.057 -8.146 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.164 2.340 -7.178 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.411 3.693 -6.930 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.037 2.943 -6.111 1.00 0.00 H new ATOM 303 N GLN A 25 -2.179 4.719 -10.112 1.00 0.00 N ATOM 304 CA GLN A 25 -1.657 6.078 -10.027 1.00 0.00 C ATOM 305 C GLN A 25 -2.362 6.864 -8.926 1.00 0.00 C ATOM 306 O GLN A 25 -1.775 7.757 -8.314 1.00 0.00 O ATOM 307 CB GLN A 25 -1.823 6.795 -11.368 1.00 0.00 C ATOM 308 CG GLN A 25 -0.846 6.326 -12.434 1.00 0.00 C ATOM 309 CD GLN A 25 -1.270 6.730 -13.832 1.00 0.00 C ATOM 310 OE1 GLN A 25 -2.440 6.613 -14.197 1.00 0.00 O ATOM 311 NE2 GLN A 25 -0.318 7.208 -14.625 1.00 0.00 N ATOM 0 H GLN A 25 -2.526 4.457 -11.035 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.596 6.019 -9.783 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.841 6.644 -11.728 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.695 7.867 -11.216 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.141 6.739 -12.224 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.754 5.241 -12.385 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.639 7.288 -14.282 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.544 7.495 -15.577 1.00 0.00 H new ATOM 320 N ASP A 26 -3.623 6.527 -8.680 1.00 0.00 N ATOM 321 CA ASP A 26 -4.407 7.200 -7.652 1.00 0.00 C ATOM 322 C ASP A 26 -3.774 7.016 -6.276 1.00 0.00 C ATOM 323 O ASP A 26 -4.003 7.811 -5.364 1.00 0.00 O ATOM 324 CB ASP A 26 -5.841 6.666 -7.642 1.00 0.00 C ATOM 325 CG ASP A 26 -6.779 7.541 -6.834 1.00 0.00 C ATOM 326 OD1 ASP A 26 -6.639 8.780 -6.900 1.00 0.00 O ATOM 327 OD2 ASP A 26 -7.654 6.986 -6.137 1.00 0.00 O ATOM 0 H ASP A 26 -4.124 5.792 -9.179 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.425 8.265 -7.884 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.207 6.596 -8.666 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.847 5.656 -7.231 1.00 0.00 H new ATOM 332 N CYS A 27 -2.977 5.962 -6.134 1.00 0.00 N ATOM 333 CA CYS A 27 -2.311 5.671 -4.870 1.00 0.00 C ATOM 334 C CYS A 27 -1.598 6.909 -4.334 1.00 0.00 C ATOM 335 O CYS A 27 -0.903 7.620 -5.060 1.00 0.00 O ATOM 336 CB CYS A 27 -1.309 4.529 -5.049 1.00 0.00 C ATOM 337 SG CYS A 27 -0.925 3.630 -3.512 1.00 0.00 S ATOM 0 H CYS A 27 -2.777 5.295 -6.879 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.070 5.369 -4.148 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.704 3.824 -5.781 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.384 4.932 -5.462 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.867 2.768 -3.267 1.00 0.00 H new ATOM 342 N PRO A 28 -1.773 7.174 -3.031 1.00 0.00 N ATOM 343 CA PRO A 28 -1.154 8.326 -2.367 1.00 0.00 C ATOM 344 C PRO A 28 0.357 8.175 -2.234 1.00 0.00 C ATOM 345 O PRO A 28 1.073 9.157 -2.038 1.00 0.00 O ATOM 346 CB PRO A 28 -1.814 8.336 -0.986 1.00 0.00 C ATOM 347 CG PRO A 28 -2.229 6.924 -0.753 1.00 0.00 C ATOM 348 CD PRO A 28 -2.588 6.370 -2.104 1.00 0.00 C ATOM 0 HA PRO A 28 -1.299 9.248 -2.931 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.119 8.676 -0.218 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.671 9.009 -0.962 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.422 6.350 -0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.079 6.874 -0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.352 5.309 -2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.653 6.475 -2.311 1.00 0.00 H new ATOM 356 N ILE A 29 0.836 6.940 -2.342 1.00 0.00 N ATOM 357 CA ILE A 29 2.262 6.662 -2.235 1.00 0.00 C ATOM 358 C ILE A 29 2.863 6.340 -3.599 1.00 0.00 C ATOM 359 O ILE A 29 3.839 6.960 -4.020 1.00 0.00 O ATOM 360 CB ILE A 29 2.537 5.489 -1.275 1.00 0.00 C ATOM 361 CG1 ILE A 29 1.840 5.725 0.066 1.00 0.00 C ATOM 362 CG2 ILE A 29 4.034 5.308 -1.076 1.00 0.00 C ATOM 363 CD1 ILE A 29 1.955 4.557 1.020 1.00 0.00 C ATOM 0 H ILE A 29 0.257 6.116 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 29 2.730 7.563 -1.838 1.00 0.00 H new ATOM 0 HB ILE A 29 2.136 4.576 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.266 6.611 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.786 5.935 -0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.213 4.476 -0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.506 5.099 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.458 6.219 -0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.438 4.794 1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.504 3.673 0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.006 4.360 1.229 1.00 0.00 H new ATOM 375 N GLU A 30 2.273 5.366 -4.285 1.00 0.00 N ATOM 376 CA GLU A 30 2.750 4.963 -5.602 1.00 0.00 C ATOM 377 C GLU A 30 4.262 4.761 -5.595 1.00 0.00 C ATOM 378 O GLU A 30 4.924 4.913 -6.622 1.00 0.00 O ATOM 379 CB GLU A 30 2.369 6.010 -6.650 1.00 0.00 C ATOM 380 CG GLU A 30 2.434 5.495 -8.078 1.00 0.00 C ATOM 381 CD GLU A 30 2.793 6.580 -9.074 1.00 0.00 C ATOM 382 OE1 GLU A 30 3.987 6.933 -9.162 1.00 0.00 O ATOM 383 OE2 GLU A 30 1.879 7.077 -9.766 1.00 0.00 O ATOM 0 H GLU A 30 1.464 4.842 -3.950 1.00 0.00 H new ATOM 0 HA GLU A 30 2.276 4.015 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.359 6.364 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.034 6.868 -6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.171 4.694 -8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.471 5.063 -8.349 1.00 0.00 H new ATOM 390 N TRP A 31 4.802 4.420 -4.431 1.00 0.00 N ATOM 391 CA TRP A 31 6.237 4.199 -4.289 1.00 0.00 C ATOM 392 C TRP A 31 6.549 3.473 -2.985 1.00 0.00 C ATOM 393 O TRP A 31 6.503 4.066 -1.907 1.00 0.00 O ATOM 394 CB TRP A 31 6.986 5.531 -4.338 1.00 0.00 C ATOM 395 CG TRP A 31 6.942 6.188 -5.684 1.00 0.00 C ATOM 396 CD1 TRP A 31 6.125 7.212 -6.069 1.00 0.00 C ATOM 397 CD2 TRP A 31 7.747 5.865 -6.823 1.00 0.00 C ATOM 398 NE1 TRP A 31 6.374 7.545 -7.379 1.00 0.00 N ATOM 399 CE2 TRP A 31 7.366 6.734 -7.863 1.00 0.00 C ATOM 400 CE3 TRP A 31 8.755 4.927 -7.064 1.00 0.00 C ATOM 401 CZ2 TRP A 31 7.956 6.690 -9.123 1.00 0.00 C ATOM 402 CZ3 TRP A 31 9.340 4.885 -8.315 1.00 0.00 C ATOM 403 CH2 TRP A 31 8.940 5.762 -9.332 1.00 0.00 C ATOM 0 H TRP A 31 4.268 4.290 -3.571 1.00 0.00 H new ATOM 0 HA TRP A 31 6.568 3.574 -5.119 1.00 0.00 H new ATOM 0 HB2 TRP A 31 6.559 6.207 -3.597 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.026 5.365 -4.056 1.00 0.00 H new ATOM 0 HD1 TRP A 31 5.391 7.690 -5.437 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.897 8.277 -7.905 1.00 0.00 H new ATOM 0 HE3 TRP A 31 9.071 4.247 -6.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.648 7.365 -9.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.119 4.164 -8.512 1.00 0.00 H new ATOM 0 HH2 TRP A 31 9.417 5.705 -10.299 1.00 0.00 H new ATOM 414 N PHE A 32 6.867 2.187 -3.089 1.00 0.00 N ATOM 415 CA PHE A 32 7.187 1.380 -1.917 1.00 0.00 C ATOM 416 C PHE A 32 8.514 0.652 -2.104 1.00 0.00 C ATOM 417 O PHE A 32 8.917 0.349 -3.228 1.00 0.00 O ATOM 418 CB PHE A 32 6.070 0.369 -1.648 1.00 0.00 C ATOM 419 CG PHE A 32 4.713 0.997 -1.510 1.00 0.00 C ATOM 420 CD1 PHE A 32 4.037 1.468 -2.624 1.00 0.00 C ATOM 421 CD2 PHE A 32 4.114 1.117 -0.267 1.00 0.00 C ATOM 422 CE1 PHE A 32 2.787 2.046 -2.501 1.00 0.00 C ATOM 423 CE2 PHE A 32 2.864 1.694 -0.138 1.00 0.00 C ATOM 424 CZ PHE A 32 2.201 2.161 -1.256 1.00 0.00 C ATOM 0 H PHE A 32 6.910 1.681 -3.974 1.00 0.00 H new ATOM 0 HA PHE A 32 7.277 2.048 -1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.045 -0.357 -2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.301 -0.182 -0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.492 1.383 -3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.629 0.756 0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.270 2.407 -3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.406 1.779 0.837 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.226 2.615 -1.157 1.00 0.00 H new ATOM 434 N HIS A 33 9.191 0.373 -0.994 1.00 0.00 N ATOM 435 CA HIS A 33 10.474 -0.320 -1.035 1.00 0.00 C ATOM 436 C HIS A 33 10.277 -1.814 -1.276 1.00 0.00 C ATOM 437 O HIS A 33 9.236 -2.375 -0.934 1.00 0.00 O ATOM 438 CB HIS A 33 11.238 -0.099 0.271 1.00 0.00 C ATOM 439 CG HIS A 33 11.470 1.346 0.592 1.00 0.00 C ATOM 440 ND1 HIS A 33 11.675 2.411 -0.218 1.00 0.00 N flip ATOM 441 CD2 HIS A 33 11.513 1.833 1.881 1.00 0.00 C flip ATOM 442 CE1 HIS A 33 11.834 3.511 0.588 1.00 0.00 C flip ATOM 443 NE2 HIS A 33 11.732 3.135 1.850 1.00 0.00 N flip ATOM 0 H HIS A 33 8.873 0.616 -0.056 1.00 0.00 H new ATOM 0 HA HIS A 33 11.055 0.090 -1.861 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.684 -0.560 1.089 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.200 -0.608 0.210 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.387 1.242 2.776 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.013 4.520 0.246 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.809 3.746 2.663 1.00 0.00 H new ATOM 451 N TYR A 34 11.282 -2.450 -1.866 1.00 0.00 N ATOM 452 CA TYR A 34 11.218 -3.878 -2.156 1.00 0.00 C ATOM 453 C TYR A 34 11.266 -4.697 -0.870 1.00 0.00 C ATOM 454 O TYR A 34 10.572 -5.704 -0.736 1.00 0.00 O ATOM 455 CB TYR A 34 12.369 -4.285 -3.077 1.00 0.00 C ATOM 456 CG TYR A 34 12.104 -4.004 -4.538 1.00 0.00 C ATOM 457 CD1 TYR A 34 11.302 -2.938 -4.927 1.00 0.00 C ATOM 458 CD2 TYR A 34 12.657 -4.803 -5.531 1.00 0.00 C ATOM 459 CE1 TYR A 34 11.057 -2.678 -6.261 1.00 0.00 C ATOM 460 CE2 TYR A 34 12.419 -4.550 -6.868 1.00 0.00 C ATOM 461 CZ TYR A 34 11.618 -3.486 -7.228 1.00 0.00 C ATOM 462 OH TYR A 34 11.377 -3.230 -8.559 1.00 0.00 O ATOM 0 H TYR A 34 12.151 -2.000 -2.153 1.00 0.00 H new ATOM 0 HA TYR A 34 10.272 -4.079 -2.658 1.00 0.00 H new ATOM 0 HB2 TYR A 34 13.272 -3.756 -2.772 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.565 -5.350 -2.950 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.863 -2.302 -4.173 1.00 0.00 H new ATOM 0 HD2 TYR A 34 13.284 -5.637 -5.253 1.00 0.00 H new ATOM 0 HE1 TYR A 34 10.429 -1.846 -6.546 1.00 0.00 H new ATOM 0 HE2 TYR A 34 12.857 -5.181 -7.627 1.00 0.00 H new ATOM 0 HH TYR A 34 11.847 -3.891 -9.109 1.00 0.00 H new ATOM 472 N GLY A 35 12.091 -4.256 0.075 1.00 0.00 N ATOM 473 CA GLY A 35 12.215 -4.959 1.338 1.00 0.00 C ATOM 474 C GLY A 35 11.022 -4.735 2.246 1.00 0.00 C ATOM 475 O GLY A 35 10.743 -5.546 3.129 1.00 0.00 O ATOM 0 H GLY A 35 12.675 -3.425 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.327 -6.026 1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.121 -4.630 1.846 1.00 0.00 H new ATOM 479 N CYS A 36 10.317 -3.629 2.031 1.00 0.00 N ATOM 480 CA CYS A 36 9.148 -3.298 2.838 1.00 0.00 C ATOM 481 C CYS A 36 7.937 -4.117 2.402 1.00 0.00 C ATOM 482 O CYS A 36 7.173 -4.607 3.234 1.00 0.00 O ATOM 483 CB CYS A 36 8.834 -1.805 2.729 1.00 0.00 C ATOM 484 SG CYS A 36 9.805 -0.756 3.858 1.00 0.00 S ATOM 0 H CYS A 36 10.535 -2.947 1.305 1.00 0.00 H new ATOM 0 HA CYS A 36 9.373 -3.540 3.877 1.00 0.00 H new ATOM 0 HB2 CYS A 36 9.014 -1.481 1.704 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.774 -1.652 2.930 1.00 0.00 H new ATOM 0 HG CYS A 36 9.546 0.495 3.618 1.00 0.00 H new ATOM 489 N VAL A 37 7.767 -4.261 1.092 1.00 0.00 N ATOM 490 CA VAL A 37 6.650 -5.022 0.545 1.00 0.00 C ATOM 491 C VAL A 37 7.036 -6.479 0.318 1.00 0.00 C ATOM 492 O VAL A 37 6.176 -7.357 0.253 1.00 0.00 O ATOM 493 CB VAL A 37 6.158 -4.420 -0.785 1.00 0.00 C ATOM 494 CG1 VAL A 37 5.883 -2.932 -0.628 1.00 0.00 C ATOM 495 CG2 VAL A 37 7.174 -4.669 -1.890 1.00 0.00 C ATOM 0 H VAL A 37 8.389 -3.861 0.389 1.00 0.00 H new ATOM 0 HA VAL A 37 5.845 -4.972 1.278 1.00 0.00 H new ATOM 0 HB VAL A 37 5.225 -4.910 -1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.536 -2.524 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.117 -2.782 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.798 -2.423 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.811 -4.237 -2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.124 -4.206 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.316 -5.742 -2.018 1.00 0.00 H new ATOM 505 N GLY A 38 8.336 -6.730 0.199 1.00 0.00 N ATOM 506 CA GLY A 38 8.814 -8.083 -0.019 1.00 0.00 C ATOM 507 C GLY A 38 8.862 -8.451 -1.488 1.00 0.00 C ATOM 508 O GLY A 38 8.055 -9.252 -1.963 1.00 0.00 O ATOM 0 H GLY A 38 9.067 -6.020 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.810 -8.187 0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.165 -8.783 0.507 1.00 0.00 H new ATOM 512 N LEU A 39 9.809 -7.865 -2.213 1.00 0.00 N ATOM 513 CA LEU A 39 9.959 -8.134 -3.638 1.00 0.00 C ATOM 514 C LEU A 39 11.420 -8.392 -3.993 1.00 0.00 C ATOM 515 O LEU A 39 12.136 -7.486 -4.420 1.00 0.00 O ATOM 516 CB LEU A 39 9.423 -6.960 -4.459 1.00 0.00 C ATOM 517 CG LEU A 39 7.916 -6.958 -4.722 1.00 0.00 C ATOM 518 CD1 LEU A 39 7.487 -5.642 -5.353 1.00 0.00 C ATOM 519 CD2 LEU A 39 7.529 -8.130 -5.611 1.00 0.00 C ATOM 0 H LEU A 39 10.485 -7.200 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 39 9.383 -9.028 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.683 -6.034 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.939 -6.948 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 39 7.399 -7.066 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.412 -5.658 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.730 -4.820 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.011 -5.504 -6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.454 -8.113 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.054 -8.054 -6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.801 -9.064 -5.120 1.00 0.00 H new ATOM 531 N THR A 40 11.856 -9.635 -3.816 1.00 0.00 N ATOM 532 CA THR A 40 13.231 -10.013 -4.119 1.00 0.00 C ATOM 533 C THR A 40 13.653 -9.500 -5.490 1.00 0.00 C ATOM 534 O THR A 40 14.838 -9.282 -5.743 1.00 0.00 O ATOM 535 CB THR A 40 13.416 -11.542 -4.076 1.00 0.00 C ATOM 536 OG1 THR A 40 12.601 -12.162 -5.078 1.00 0.00 O ATOM 537 CG2 THR A 40 13.051 -12.093 -2.706 1.00 0.00 C ATOM 0 H THR A 40 11.277 -10.397 -3.464 1.00 0.00 H new ATOM 0 HA THR A 40 13.860 -9.557 -3.354 1.00 0.00 H new ATOM 0 HB THR A 40 14.465 -11.765 -4.272 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.135 -12.315 -5.885 1.00 0.00 H new ATOM 0 HG21 THR A 40 13.190 -13.174 -2.700 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.692 -11.641 -1.949 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.009 -11.859 -2.486 1.00 0.00 H new ATOM 545 N GLU A 41 12.677 -9.308 -6.372 1.00 0.00 N ATOM 546 CA GLU A 41 12.950 -8.819 -7.718 1.00 0.00 C ATOM 547 C GLU A 41 11.712 -8.157 -8.318 1.00 0.00 C ATOM 548 O GLU A 41 10.626 -8.209 -7.741 1.00 0.00 O ATOM 549 CB GLU A 41 13.413 -9.967 -8.617 1.00 0.00 C ATOM 550 CG GLU A 41 12.299 -10.926 -9.003 1.00 0.00 C ATOM 551 CD GLU A 41 12.077 -12.010 -7.966 1.00 0.00 C ATOM 552 OE1 GLU A 41 13.028 -12.769 -7.687 1.00 0.00 O ATOM 553 OE2 GLU A 41 10.950 -12.099 -7.434 1.00 0.00 O ATOM 0 H GLU A 41 11.691 -9.484 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 41 13.744 -8.075 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.854 -9.552 -9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.199 -10.523 -8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.374 -10.366 -9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.538 -11.388 -9.961 1.00 0.00 H new ATOM 560 N ALA A 42 11.886 -7.533 -9.478 1.00 0.00 N ATOM 561 CA ALA A 42 10.785 -6.862 -10.157 1.00 0.00 C ATOM 562 C ALA A 42 9.668 -7.844 -10.496 1.00 0.00 C ATOM 563 O ALA A 42 9.900 -8.915 -11.057 1.00 0.00 O ATOM 564 CB ALA A 42 11.284 -6.171 -11.417 1.00 0.00 C ATOM 0 H ALA A 42 12.779 -7.478 -9.967 1.00 0.00 H new ATOM 0 HA ALA A 42 10.379 -6.110 -9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.451 -5.674 -11.914 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.041 -5.433 -11.152 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.719 -6.910 -12.090 1.00 0.00 H new ATOM 570 N PRO A 43 8.427 -7.473 -10.149 1.00 0.00 N ATOM 571 CA PRO A 43 7.250 -8.308 -10.407 1.00 0.00 C ATOM 572 C PRO A 43 6.914 -8.393 -11.892 1.00 0.00 C ATOM 573 O PRO A 43 6.245 -7.516 -12.439 1.00 0.00 O ATOM 574 CB PRO A 43 6.132 -7.590 -9.646 1.00 0.00 C ATOM 575 CG PRO A 43 6.577 -6.170 -9.571 1.00 0.00 C ATOM 576 CD PRO A 43 8.077 -6.210 -9.477 1.00 0.00 C ATOM 0 HA PRO A 43 7.405 -9.340 -10.091 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.178 -7.679 -10.166 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.994 -8.015 -8.652 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.256 -5.614 -10.452 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.145 -5.671 -8.704 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.534 -5.352 -9.971 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.415 -6.199 -8.441 1.00 0.00 H new ATOM 584 N LYS A 44 7.382 -9.455 -12.539 1.00 0.00 N ATOM 585 CA LYS A 44 7.130 -9.656 -13.961 1.00 0.00 C ATOM 586 C LYS A 44 5.756 -9.122 -14.352 1.00 0.00 C ATOM 587 O LYS A 44 5.640 -8.249 -15.211 1.00 0.00 O ATOM 588 CB LYS A 44 7.230 -11.143 -14.312 1.00 0.00 C ATOM 589 CG LYS A 44 7.755 -11.403 -15.713 1.00 0.00 C ATOM 590 CD LYS A 44 6.628 -11.439 -16.733 1.00 0.00 C ATOM 591 CE LYS A 44 7.095 -12.017 -18.060 1.00 0.00 C ATOM 592 NZ LYS A 44 7.292 -13.491 -17.984 1.00 0.00 N ATOM 0 H LYS A 44 7.938 -10.190 -12.101 1.00 0.00 H new ATOM 0 HA LYS A 44 7.886 -9.105 -14.520 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.883 -11.635 -13.591 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.245 -11.598 -14.212 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.469 -10.625 -15.985 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.294 -12.350 -15.731 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.803 -12.037 -16.345 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.245 -10.431 -16.889 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.362 -11.788 -18.834 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.030 -11.540 -18.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.410 -13.875 -18.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.141 -13.699 -17.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.462 -13.929 -17.535 1.00 0.00 H new ATOM 606 N GLY A 45 4.717 -9.651 -13.713 1.00 0.00 N ATOM 607 CA GLY A 45 3.365 -9.214 -14.007 1.00 0.00 C ATOM 608 C GLY A 45 3.041 -7.872 -13.382 1.00 0.00 C ATOM 609 O GLY A 45 3.878 -6.969 -13.362 1.00 0.00 O ATOM 0 H GLY A 45 4.788 -10.374 -12.997 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.234 -9.149 -15.087 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.658 -9.960 -13.644 1.00 0.00 H new ATOM 613 N LYS A 46 1.822 -7.737 -12.871 1.00 0.00 N ATOM 614 CA LYS A 46 1.387 -6.495 -12.243 1.00 0.00 C ATOM 615 C LYS A 46 1.467 -6.597 -10.723 1.00 0.00 C ATOM 616 O LYS A 46 1.066 -7.603 -10.138 1.00 0.00 O ATOM 617 CB LYS A 46 -0.043 -6.157 -12.668 1.00 0.00 C ATOM 618 CG LYS A 46 -0.162 -5.732 -14.121 1.00 0.00 C ATOM 619 CD LYS A 46 0.072 -4.240 -14.286 1.00 0.00 C ATOM 620 CE LYS A 46 -0.589 -3.708 -15.549 1.00 0.00 C ATOM 621 NZ LYS A 46 0.070 -2.466 -16.039 1.00 0.00 N ATOM 0 H LYS A 46 1.117 -8.474 -12.880 1.00 0.00 H new ATOM 0 HA LYS A 46 2.054 -5.698 -12.572 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.678 -7.027 -12.500 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.422 -5.357 -12.032 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.561 -6.283 -14.723 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.152 -5.990 -14.497 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.321 -3.711 -13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.143 -4.041 -14.323 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.551 -4.470 -16.327 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.642 -3.507 -15.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.409 -2.135 -16.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.012 -1.730 -15.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.068 -2.664 -16.253 1.00 0.00 H new ATOM 635 N TRP A 47 1.985 -5.551 -10.091 1.00 0.00 N ATOM 636 CA TRP A 47 2.115 -5.523 -8.638 1.00 0.00 C ATOM 637 C TRP A 47 1.315 -4.370 -8.042 1.00 0.00 C ATOM 638 O TRP A 47 1.324 -3.258 -8.570 1.00 0.00 O ATOM 639 CB TRP A 47 3.586 -5.399 -8.240 1.00 0.00 C ATOM 640 CG TRP A 47 3.793 -5.286 -6.760 1.00 0.00 C ATOM 641 CD1 TRP A 47 4.064 -6.303 -5.890 1.00 0.00 C ATOM 642 CD2 TRP A 47 3.744 -4.088 -5.977 1.00 0.00 C ATOM 643 NE1 TRP A 47 4.186 -5.810 -4.613 1.00 0.00 N ATOM 644 CE2 TRP A 47 3.995 -4.454 -4.640 1.00 0.00 C ATOM 645 CE3 TRP A 47 3.515 -2.742 -6.276 1.00 0.00 C ATOM 646 CZ2 TRP A 47 4.022 -3.521 -3.606 1.00 0.00 C ATOM 647 CZ3 TRP A 47 3.541 -1.818 -5.248 1.00 0.00 C ATOM 648 CH2 TRP A 47 3.794 -2.211 -3.927 1.00 0.00 C ATOM 0 H TRP A 47 2.322 -4.711 -10.561 1.00 0.00 H new ATOM 0 HA TRP A 47 1.717 -6.458 -8.244 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.130 -6.268 -8.610 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.014 -4.523 -8.728 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.167 -7.342 -6.165 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.386 -6.364 -3.780 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.321 -2.430 -7.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 4.216 -3.821 -2.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.363 -0.775 -5.467 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.809 -1.465 -3.147 1.00 0.00 H new ATOM 659 N TYR A 48 0.626 -4.641 -6.940 1.00 0.00 N ATOM 660 CA TYR A 48 -0.181 -3.626 -6.273 1.00 0.00 C ATOM 661 C TYR A 48 0.158 -3.550 -4.788 1.00 0.00 C ATOM 662 O TYR A 48 0.121 -4.555 -4.077 1.00 0.00 O ATOM 663 CB TYR A 48 -1.670 -3.929 -6.453 1.00 0.00 C ATOM 664 CG TYR A 48 -2.154 -3.760 -7.875 1.00 0.00 C ATOM 665 CD1 TYR A 48 -2.085 -4.810 -8.783 1.00 0.00 C ATOM 666 CD2 TYR A 48 -2.682 -2.551 -8.311 1.00 0.00 C ATOM 667 CE1 TYR A 48 -2.526 -4.660 -10.083 1.00 0.00 C ATOM 668 CE2 TYR A 48 -3.127 -2.392 -9.610 1.00 0.00 C ATOM 669 CZ TYR A 48 -3.046 -3.449 -10.492 1.00 0.00 C ATOM 670 OH TYR A 48 -3.488 -3.296 -11.786 1.00 0.00 O ATOM 0 H TYR A 48 0.610 -5.556 -6.489 1.00 0.00 H new ATOM 0 HA TYR A 48 0.044 -2.662 -6.728 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.866 -4.952 -6.130 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.247 -3.273 -5.801 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.679 -5.760 -8.466 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.746 -1.721 -7.623 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.464 -5.486 -10.776 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.536 -1.446 -9.932 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.735 -2.360 -11.939 1.00 0.00 H new ATOM 680 N CYS A 49 0.488 -2.349 -4.324 1.00 0.00 N ATOM 681 CA CYS A 49 0.834 -2.138 -2.923 1.00 0.00 C ATOM 682 C CYS A 49 -0.191 -2.797 -2.005 1.00 0.00 C ATOM 683 O CYS A 49 -1.344 -3.018 -2.377 1.00 0.00 O ATOM 684 CB CYS A 49 0.921 -0.641 -2.618 1.00 0.00 C ATOM 685 SG CYS A 49 -0.695 0.168 -2.393 1.00 0.00 S ATOM 0 H CYS A 49 0.523 -1.507 -4.898 1.00 0.00 H new ATOM 0 HA CYS A 49 1.806 -2.596 -2.741 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.515 -0.499 -1.715 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.453 -0.146 -3.431 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.627 1.397 -2.812 1.00 0.00 H new ATOM 690 N PRO A 50 0.236 -3.117 -0.775 1.00 0.00 N ATOM 691 CA PRO A 50 -0.628 -3.754 0.223 1.00 0.00 C ATOM 692 C PRO A 50 -1.710 -2.811 0.739 1.00 0.00 C ATOM 693 O PRO A 50 -2.639 -3.236 1.426 1.00 0.00 O ATOM 694 CB PRO A 50 0.341 -4.122 1.349 1.00 0.00 C ATOM 695 CG PRO A 50 1.468 -3.157 1.210 1.00 0.00 C ATOM 696 CD PRO A 50 1.597 -2.882 -0.263 1.00 0.00 C ATOM 0 HA PRO A 50 -1.167 -4.607 -0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.136 -4.036 2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.687 -5.151 1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.266 -2.239 1.762 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.391 -3.575 1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.927 -1.861 -0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.323 -3.545 -0.733 1.00 0.00 H new ATOM 704 N GLN A 51 -1.584 -1.532 0.401 1.00 0.00 N ATOM 705 CA GLN A 51 -2.552 -0.530 0.831 1.00 0.00 C ATOM 706 C GLN A 51 -3.784 -0.541 -0.069 1.00 0.00 C ATOM 707 O GLN A 51 -4.892 -0.237 0.373 1.00 0.00 O ATOM 708 CB GLN A 51 -1.915 0.861 0.826 1.00 0.00 C ATOM 709 CG GLN A 51 -1.249 1.229 2.142 1.00 0.00 C ATOM 710 CD GLN A 51 -0.532 2.563 2.080 1.00 0.00 C ATOM 711 OE1 GLN A 51 0.594 2.698 2.559 1.00 0.00 O ATOM 712 NE2 GLN A 51 -1.181 3.557 1.486 1.00 0.00 N ATOM 0 H GLN A 51 -0.822 -1.165 -0.169 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.864 -0.776 1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.175 0.910 0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.681 1.602 0.596 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.002 1.262 2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.537 0.450 2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.113 3.400 1.103 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.747 4.477 1.413 1.00 0.00 H new ATOM 721 N CYS A 52 -3.582 -0.893 -1.335 1.00 0.00 N ATOM 722 CA CYS A 52 -4.674 -0.944 -2.298 1.00 0.00 C ATOM 723 C CYS A 52 -5.347 -2.313 -2.287 1.00 0.00 C ATOM 724 O CYS A 52 -6.556 -2.423 -2.078 1.00 0.00 O ATOM 725 CB CYS A 52 -4.158 -0.629 -3.704 1.00 0.00 C ATOM 726 SG CYS A 52 -3.821 1.138 -3.993 1.00 0.00 S ATOM 0 H CYS A 52 -2.671 -1.147 -1.717 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.411 -0.194 -2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.244 -1.196 -3.879 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.891 -0.972 -4.434 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.734 1.263 -4.696 1.00 0.00 H new ATOM 731 N THR A 53 -4.556 -3.357 -2.513 1.00 0.00 N ATOM 732 CA THR A 53 -5.073 -4.720 -2.529 1.00 0.00 C ATOM 733 C THR A 53 -5.986 -4.976 -1.335 1.00 0.00 C ATOM 734 O THR A 53 -6.962 -5.718 -1.436 1.00 0.00 O ATOM 735 CB THR A 53 -3.932 -5.754 -2.520 1.00 0.00 C ATOM 736 OG1 THR A 53 -3.030 -5.498 -3.602 1.00 0.00 O ATOM 737 CG2 THR A 53 -4.483 -7.168 -2.637 1.00 0.00 C ATOM 0 H THR A 53 -3.554 -3.285 -2.688 1.00 0.00 H new ATOM 0 HA THR A 53 -5.645 -4.830 -3.450 1.00 0.00 H new ATOM 0 HB THR A 53 -3.398 -5.665 -1.574 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.421 -4.771 -3.355 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.659 -7.881 -2.629 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.147 -7.370 -1.797 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.038 -7.266 -3.570 1.00 0.00 H new ATOM 745 N ALA A 54 -5.662 -4.356 -0.205 1.00 0.00 N ATOM 746 CA ALA A 54 -6.454 -4.515 1.008 1.00 0.00 C ATOM 747 C ALA A 54 -7.798 -3.804 0.883 1.00 0.00 C ATOM 748 O ALA A 54 -8.824 -4.311 1.335 1.00 0.00 O ATOM 749 CB ALA A 54 -5.687 -3.990 2.212 1.00 0.00 C ATOM 0 H ALA A 54 -4.856 -3.739 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.647 -5.578 1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.291 -4.115 3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.755 -4.545 2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.464 -2.933 2.069 1.00 0.00 H new ATOM 755 N ALA A 55 -7.784 -2.626 0.267 1.00 0.00 N ATOM 756 CA ALA A 55 -9.001 -1.846 0.082 1.00 0.00 C ATOM 757 C ALA A 55 -9.889 -2.462 -0.994 1.00 0.00 C ATOM 758 O ALA A 55 -11.094 -2.622 -0.800 1.00 0.00 O ATOM 759 CB ALA A 55 -8.657 -0.407 -0.274 1.00 0.00 C ATOM 0 H ALA A 55 -6.943 -2.191 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.554 -1.853 1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.576 0.164 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.069 0.036 0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.079 -0.389 -1.198 1.00 0.00 H new ATOM 765 N MET A 56 -9.286 -2.804 -2.127 1.00 0.00 N ATOM 766 CA MET A 56 -10.024 -3.403 -3.234 1.00 0.00 C ATOM 767 C MET A 56 -10.715 -4.690 -2.794 1.00 0.00 C ATOM 768 O MET A 56 -11.837 -4.978 -3.211 1.00 0.00 O ATOM 769 CB MET A 56 -9.083 -3.691 -4.405 1.00 0.00 C ATOM 770 CG MET A 56 -8.455 -2.441 -5.001 1.00 0.00 C ATOM 771 SD MET A 56 -7.565 -2.774 -6.534 1.00 0.00 S ATOM 772 CE MET A 56 -5.968 -3.276 -5.895 1.00 0.00 C ATOM 0 H MET A 56 -8.289 -2.677 -2.303 1.00 0.00 H new ATOM 0 HA MET A 56 -10.787 -2.694 -3.555 1.00 0.00 H new ATOM 0 HB2 MET A 56 -8.291 -4.360 -4.068 1.00 0.00 H new ATOM 0 HB3 MET A 56 -9.635 -4.217 -5.184 1.00 0.00 H new ATOM 0 HG2 MET A 56 -9.234 -1.703 -5.191 1.00 0.00 H new ATOM 0 HG3 MET A 56 -7.770 -2.002 -4.276 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.182 -2.706 -6.390 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.930 -3.089 -4.822 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.819 -4.339 -6.084 1.00 0.00 H new ATOM 782 N LYS A 57 -10.038 -5.460 -1.949 1.00 0.00 N ATOM 783 CA LYS A 57 -10.586 -6.716 -1.451 1.00 0.00 C ATOM 784 C LYS A 57 -11.893 -6.480 -0.701 1.00 0.00 C ATOM 785 O LYS A 57 -12.904 -7.127 -0.976 1.00 0.00 O ATOM 786 CB LYS A 57 -9.577 -7.408 -0.532 1.00 0.00 C ATOM 787 CG LYS A 57 -8.592 -8.298 -1.271 1.00 0.00 C ATOM 788 CD LYS A 57 -7.731 -9.097 -0.307 1.00 0.00 C ATOM 789 CE LYS A 57 -6.761 -8.202 0.448 1.00 0.00 C ATOM 790 NZ LYS A 57 -5.631 -8.976 1.032 1.00 0.00 N ATOM 0 H LYS A 57 -9.108 -5.236 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.789 -7.359 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.024 -6.650 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.117 -8.008 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.136 -8.980 -1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.954 -7.686 -1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.370 -9.623 0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.174 -9.855 -0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.369 -7.441 -0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.293 -7.680 1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.993 -8.330 1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.002 -9.686 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.108 -9.454 0.271 1.00 0.00 H new