USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 381 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 GLY N :NH3+ 142:sc= 0.0041 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.766 K(o=0.77,f=-0.041) USER MOD Single : A 8 THR OG1 : rot -78:sc= 1.33 USER MOD Single : A 9 SER OG : rot 180:sc= 0.207 USER MOD Single : A 12 SER OG : rot -142:sc= 0.0347 USER MOD Single : A 14 TYR OH : rot 35:sc= 0.22 USER MOD Single : A 15 GLN : amide:sc= -0.0252 X(o=-0.025,f=-0.52) USER MOD Single : A 18 ASN : amide:sc= 0.539 K(o=0.54,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.668 K(o=0.67,f=0) USER MOD Single : B 1 PHE N :NH3+ 140:sc= 0.473 (180deg=0.0605) USER MOD Single : B 3 ASN : amide:sc= -0.0263 X(o=-0.026,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.465 K(o=0.46,f=-1.5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 53:sc= 0.172 USER MOD Single : B 29 LYS NZ :NH3+ 158:sc= 1.24 (180deg=0.987) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.007 10.910 -0.331 1.00 0.00 N ATOM 2 CA GLY A 1 -1.893 9.949 -1.029 1.00 0.00 C ATOM 3 C GLY A 1 -1.110 9.086 -2.008 1.00 0.00 C ATOM 4 O GLY A 1 -0.271 9.602 -2.744 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.503 11.816 -0.212 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.750 10.530 0.603 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.145 11.059 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.391 9.313 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.673 10.492 -1.563 1.00 0.00 H new ATOM 10 N ILE A 2 -1.376 7.772 -2.033 1.00 0.00 N ATOM 11 CA ILE A 2 -0.579 6.768 -2.784 1.00 0.00 C ATOM 12 C ILE A 2 -0.454 7.080 -4.279 1.00 0.00 C ATOM 13 O ILE A 2 0.656 7.080 -4.799 1.00 0.00 O ATOM 14 CB ILE A 2 -1.100 5.334 -2.488 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.258 4.215 -3.157 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.610 5.142 -2.749 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.659 3.793 -4.579 1.00 0.00 C ATOM 0 H ILE A 2 -2.161 7.362 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 2 0.447 6.824 -2.421 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.964 5.229 -1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.781 4.543 -3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.299 3.333 -2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.891 4.115 -2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.178 5.825 -2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.828 5.351 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.009 3.005 -4.927 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.684 3.423 -4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.587 4.651 -5.247 1.00 0.00 H new ATOM 29 N VAL A 3 -1.558 7.394 -4.962 1.00 0.00 N ATOM 30 CA VAL A 3 -1.561 7.624 -6.420 1.00 0.00 C ATOM 31 C VAL A 3 -0.713 8.846 -6.780 1.00 0.00 C ATOM 32 O VAL A 3 0.114 8.773 -7.687 1.00 0.00 O ATOM 33 CB VAL A 3 -2.993 7.750 -6.983 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.028 8.097 -8.484 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.759 6.436 -6.762 1.00 0.00 C ATOM 0 H VAL A 3 -2.475 7.497 -4.527 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.112 6.748 -6.889 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.463 8.573 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.063 8.171 -8.816 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.525 9.050 -8.649 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.520 7.316 -9.050 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.769 6.532 -7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.242 5.623 -7.273 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.810 6.220 -5.695 1.00 0.00 H new ATOM 45 N GLU A 4 -0.873 9.951 -6.041 1.00 0.00 N ATOM 46 CA GLU A 4 -0.091 11.171 -6.254 1.00 0.00 C ATOM 47 C GLU A 4 1.399 10.936 -5.971 1.00 0.00 C ATOM 48 O GLU A 4 2.236 11.355 -6.776 1.00 0.00 O ATOM 49 CB GLU A 4 -0.664 12.310 -5.404 1.00 0.00 C ATOM 50 CG GLU A 4 0.026 13.654 -5.679 1.00 0.00 C ATOM 51 CD GLU A 4 -0.718 14.809 -4.994 1.00 0.00 C ATOM 52 OE1 GLU A 4 -0.733 14.866 -3.743 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.318 15.654 -5.696 1.00 0.00 O ATOM 0 H GLU A 4 -1.548 10.022 -5.280 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.166 11.459 -7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.731 12.406 -5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.558 12.060 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.055 13.618 -5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.068 13.831 -6.754 1.00 0.00 H new ATOM 60 N GLN A 5 1.743 10.229 -4.885 1.00 0.00 N ATOM 61 CA GLN A 5 3.135 9.894 -4.578 1.00 0.00 C ATOM 62 C GLN A 5 3.752 9.033 -5.686 1.00 0.00 C ATOM 63 O GLN A 5 4.805 9.393 -6.206 1.00 0.00 O ATOM 64 CB GLN A 5 3.246 9.183 -3.214 1.00 0.00 C ATOM 65 CG GLN A 5 4.727 8.947 -2.844 1.00 0.00 C ATOM 66 CD GLN A 5 4.928 8.043 -1.625 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.153 8.028 -0.675 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.981 7.249 -1.609 1.00 0.00 N ATOM 0 H GLN A 5 1.070 9.878 -4.203 1.00 0.00 H new ATOM 0 HA GLN A 5 3.695 10.828 -4.522 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.764 9.785 -2.444 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.718 8.230 -3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.239 8.505 -3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.201 9.910 -2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.634 7.252 -2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.143 6.632 -0.813 1.00 0.00 H new ATOM 77 N CYS A 6 3.111 7.921 -6.067 1.00 0.00 N ATOM 78 CA CYS A 6 3.650 6.987 -7.061 1.00 0.00 C ATOM 79 C CYS A 6 3.883 7.640 -8.429 1.00 0.00 C ATOM 80 O CYS A 6 4.833 7.290 -9.129 1.00 0.00 O ATOM 81 CB CYS A 6 2.698 5.796 -7.206 1.00 0.00 C ATOM 82 SG CYS A 6 2.692 4.586 -5.856 1.00 0.00 S ATOM 0 H CYS A 6 2.203 7.644 -5.694 1.00 0.00 H new ATOM 0 HA CYS A 6 4.624 6.655 -6.702 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.685 6.182 -7.320 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.946 5.273 -8.130 1.00 0.00 H new ATOM 87 N CYS A 7 3.054 8.613 -8.806 1.00 0.00 N ATOM 88 CA CYS A 7 3.201 9.368 -10.042 1.00 0.00 C ATOM 89 C CYS A 7 4.324 10.418 -9.943 1.00 0.00 C ATOM 90 O CYS A 7 5.261 10.400 -10.754 1.00 0.00 O ATOM 91 CB CYS A 7 1.850 10.040 -10.335 1.00 0.00 C ATOM 92 SG CYS A 7 0.487 8.968 -10.881 1.00 0.00 S ATOM 0 H CYS A 7 2.249 8.901 -8.249 1.00 0.00 H new ATOM 0 HA CYS A 7 3.482 8.695 -10.852 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.529 10.560 -9.432 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.010 10.799 -11.101 1.00 0.00 H new ATOM 97 N THR A 8 4.235 11.335 -8.966 1.00 0.00 N ATOM 98 CA THR A 8 5.088 12.540 -8.863 1.00 0.00 C ATOM 99 C THR A 8 6.456 12.278 -8.239 1.00 0.00 C ATOM 100 O THR A 8 7.392 13.045 -8.454 1.00 0.00 O ATOM 101 CB THR A 8 4.381 13.669 -8.093 1.00 0.00 C ATOM 102 OG1 THR A 8 4.129 13.281 -6.764 1.00 0.00 O ATOM 103 CG2 THR A 8 3.065 14.092 -8.749 1.00 0.00 C ATOM 0 H THR A 8 3.556 11.262 -8.208 1.00 0.00 H new ATOM 0 HA THR A 8 5.259 12.850 -9.894 1.00 0.00 H new ATOM 0 HB THR A 8 5.057 14.524 -8.111 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.347 12.691 -6.738 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.608 14.891 -8.165 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.261 14.448 -9.761 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.388 13.239 -8.789 1.00 0.00 H new ATOM 111 N SER A 9 6.596 11.188 -7.497 1.00 0.00 N ATOM 112 CA SER A 9 7.820 10.725 -6.846 1.00 0.00 C ATOM 113 C SER A 9 7.913 9.191 -6.953 1.00 0.00 C ATOM 114 O SER A 9 7.244 8.564 -7.781 1.00 0.00 O ATOM 115 CB SER A 9 7.827 11.225 -5.389 1.00 0.00 C ATOM 116 OG SER A 9 9.101 11.049 -4.776 1.00 0.00 O ATOM 0 H SER A 9 5.810 10.562 -7.321 1.00 0.00 H new ATOM 0 HA SER A 9 8.704 11.130 -7.339 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.555 12.280 -5.365 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.071 10.688 -4.817 1.00 0.00 H new ATOM 0 HG SER A 9 9.069 11.379 -3.854 1.00 0.00 H new ATOM 122 N ILE A 10 8.750 8.562 -6.133 1.00 0.00 N ATOM 123 CA ILE A 10 8.879 7.103 -6.080 1.00 0.00 C ATOM 124 C ILE A 10 7.984 6.485 -4.998 1.00 0.00 C ATOM 125 O ILE A 10 7.772 7.051 -3.920 1.00 0.00 O ATOM 126 CB ILE A 10 10.353 6.674 -5.943 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.055 7.303 -4.716 1.00 0.00 C ATOM 128 CG2 ILE A 10 11.103 6.974 -7.255 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.444 6.710 -4.440 1.00 0.00 C ATOM 0 H ILE A 10 9.363 9.051 -5.481 1.00 0.00 H new ATOM 0 HA ILE A 10 8.521 6.709 -7.031 1.00 0.00 H new ATOM 0 HB ILE A 10 10.372 5.599 -5.763 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.151 8.377 -4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.427 7.164 -3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.145 6.670 -7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.640 6.422 -8.073 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.055 8.042 -7.465 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.880 7.196 -3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.352 5.640 -4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.087 6.873 -5.305 1.00 0.00 H new ATOM 141 N CYS A 11 7.498 5.280 -5.272 1.00 0.00 N ATOM 142 CA CYS A 11 6.860 4.388 -4.299 1.00 0.00 C ATOM 143 C CYS A 11 7.336 2.946 -4.510 1.00 0.00 C ATOM 144 O CYS A 11 7.942 2.629 -5.536 1.00 0.00 O ATOM 145 CB CYS A 11 5.333 4.526 -4.392 1.00 0.00 C ATOM 146 SG CYS A 11 4.568 3.802 -5.866 1.00 0.00 S ATOM 0 H CYS A 11 7.536 4.879 -6.209 1.00 0.00 H new ATOM 0 HA CYS A 11 7.151 4.672 -3.288 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.890 4.063 -3.510 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.079 5.585 -4.357 1.00 0.00 H new ATOM 151 N SER A 12 7.098 2.068 -3.539 1.00 0.00 N ATOM 152 CA SER A 12 7.517 0.657 -3.601 1.00 0.00 C ATOM 153 C SER A 12 6.326 -0.306 -3.614 1.00 0.00 C ATOM 154 O SER A 12 5.223 0.026 -3.179 1.00 0.00 O ATOM 155 CB SER A 12 8.432 0.318 -2.416 1.00 0.00 C ATOM 156 OG SER A 12 9.036 -0.960 -2.588 1.00 0.00 O ATOM 0 H SER A 12 6.606 2.310 -2.679 1.00 0.00 H new ATOM 0 HA SER A 12 8.059 0.531 -4.538 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.205 1.080 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.855 0.330 -1.491 1.00 0.00 H new ATOM 0 HG SER A 12 9.082 -1.419 -1.723 1.00 0.00 H new ATOM 162 N LEU A 13 6.581 -1.540 -4.043 1.00 0.00 N ATOM 163 CA LEU A 13 5.622 -2.647 -4.036 1.00 0.00 C ATOM 164 C LEU A 13 5.111 -2.943 -2.616 1.00 0.00 C ATOM 165 O LEU A 13 3.937 -3.252 -2.425 1.00 0.00 O ATOM 166 CB LEU A 13 6.311 -3.880 -4.642 1.00 0.00 C ATOM 167 CG LEU A 13 6.883 -3.689 -6.069 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.408 -5.030 -6.591 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.874 -3.110 -7.073 1.00 0.00 C ATOM 0 H LEU A 13 7.491 -1.808 -4.418 1.00 0.00 H new ATOM 0 HA LEU A 13 4.749 -2.376 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.123 -4.182 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.595 -4.701 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 13 7.686 -2.957 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.811 -4.897 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.194 -5.395 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.593 -5.753 -6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.350 -3.006 -8.048 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.018 -3.780 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.537 -2.133 -6.728 1.00 0.00 H new ATOM 181 N TYR A 14 5.963 -2.755 -1.604 1.00 0.00 N ATOM 182 CA TYR A 14 5.576 -2.815 -0.189 1.00 0.00 C ATOM 183 C TYR A 14 4.478 -1.795 0.186 1.00 0.00 C ATOM 184 O TYR A 14 3.633 -2.069 1.037 1.00 0.00 O ATOM 185 CB TYR A 14 6.811 -2.538 0.684 1.00 0.00 C ATOM 186 CG TYR A 14 7.999 -3.477 0.546 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.832 -4.874 0.629 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.294 -2.936 0.425 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.955 -5.725 0.609 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.419 -3.780 0.402 1.00 0.00 C ATOM 191 CZ TYR A 14 10.253 -5.179 0.507 1.00 0.00 C ATOM 192 OH TYR A 14 11.344 -5.997 0.516 1.00 0.00 O ATOM 0 H TYR A 14 6.953 -2.554 -1.745 1.00 0.00 H new ATOM 0 HA TYR A 14 5.173 -3.813 -0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.156 -1.527 0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.494 -2.549 1.727 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.840 -5.294 0.708 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.424 -1.867 0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.823 -6.795 0.672 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.409 -3.359 0.304 1.00 0.00 H new ATOM 0 HH TYR A 14 11.128 -6.836 0.057 1.00 0.00 H new ATOM 202 N GLN A 15 4.494 -0.618 -0.457 1.00 0.00 N ATOM 203 CA GLN A 15 3.504 0.443 -0.258 1.00 0.00 C ATOM 204 C GLN A 15 2.244 0.197 -1.102 1.00 0.00 C ATOM 205 O GLN A 15 1.153 0.554 -0.658 1.00 0.00 O ATOM 206 CB GLN A 15 4.107 1.824 -0.573 1.00 0.00 C ATOM 207 CG GLN A 15 5.352 2.184 0.264 1.00 0.00 C ATOM 208 CD GLN A 15 5.114 2.240 1.781 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.997 2.324 2.278 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.161 2.194 2.582 1.00 0.00 N ATOM 0 H GLN A 15 5.210 -0.376 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 15 3.212 0.428 0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.373 1.858 -1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.344 2.585 -0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.134 1.452 0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.727 3.152 -0.067 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.100 2.124 2.190 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.031 2.228 3.593 1.00 0.00 H new ATOM 219 N LEU A 16 2.354 -0.467 -2.261 1.00 0.00 N ATOM 220 CA LEU A 16 1.186 -0.959 -3.008 1.00 0.00 C ATOM 221 C LEU A 16 0.432 -2.037 -2.208 1.00 0.00 C ATOM 222 O LEU A 16 -0.796 -2.021 -2.167 1.00 0.00 O ATOM 223 CB LEU A 16 1.604 -1.504 -4.390 1.00 0.00 C ATOM 224 CG LEU A 16 2.363 -0.529 -5.309 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.529 -1.156 -6.701 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.662 0.827 -5.454 1.00 0.00 C ATOM 0 H LEU A 16 3.248 -0.677 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 16 0.512 -0.116 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.228 -2.384 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.707 -1.837 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 16 3.332 -0.348 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.066 -0.464 -7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.092 -2.086 -6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.547 -1.364 -7.126 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.245 1.470 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.668 0.680 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.573 1.297 -4.475 1.00 0.00 H new ATOM 238 N GLU A 17 1.153 -2.936 -1.525 1.00 0.00 N ATOM 239 CA GLU A 17 0.550 -4.018 -0.732 1.00 0.00 C ATOM 240 C GLU A 17 -0.352 -3.514 0.416 1.00 0.00 C ATOM 241 O GLU A 17 -1.325 -4.175 0.783 1.00 0.00 O ATOM 242 CB GLU A 17 1.650 -4.964 -0.219 1.00 0.00 C ATOM 243 CG GLU A 17 1.055 -6.235 0.408 1.00 0.00 C ATOM 244 CD GLU A 17 2.080 -7.363 0.582 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.148 -7.147 1.200 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.786 -8.494 0.124 1.00 0.00 O ATOM 0 H GLU A 17 2.173 -2.934 -1.506 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.117 -4.569 -1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.309 -5.238 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.262 -4.445 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.629 -5.987 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.236 -6.591 -0.217 1.00 0.00 H new ATOM 253 N ASN A 18 -0.097 -2.310 0.942 1.00 0.00 N ATOM 254 CA ASN A 18 -0.956 -1.657 1.942 1.00 0.00 C ATOM 255 C ASN A 18 -2.407 -1.441 1.448 1.00 0.00 C ATOM 256 O ASN A 18 -3.337 -1.378 2.253 1.00 0.00 O ATOM 257 CB ASN A 18 -0.301 -0.326 2.335 1.00 0.00 C ATOM 258 CG ASN A 18 -1.061 0.396 3.445 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.974 0.035 4.612 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.832 1.422 3.122 1.00 0.00 N ATOM 0 H ASN A 18 0.719 -1.755 0.684 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.041 -2.313 2.808 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.722 -0.511 2.661 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.244 0.320 1.459 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.356 1.914 3.846 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.903 1.721 2.149 1.00 0.00 H new ATOM 267 N TYR A 19 -2.612 -1.333 0.130 1.00 0.00 N ATOM 268 CA TYR A 19 -3.909 -1.086 -0.517 1.00 0.00 C ATOM 269 C TYR A 19 -4.566 -2.351 -1.107 1.00 0.00 C ATOM 270 O TYR A 19 -5.628 -2.269 -1.733 1.00 0.00 O ATOM 271 CB TYR A 19 -3.707 0.024 -1.555 1.00 0.00 C ATOM 272 CG TYR A 19 -3.422 1.369 -0.911 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.099 1.723 -0.579 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.480 2.231 -0.562 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.829 2.920 0.110 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.216 3.442 0.111 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.889 3.788 0.452 1.00 0.00 C ATOM 278 OH TYR A 19 -2.633 4.954 1.113 1.00 0.00 O ATOM 0 H TYR A 19 -1.850 -1.418 -0.543 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.626 -0.764 0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.881 -0.243 -2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.598 0.103 -2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.285 1.070 -0.856 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.496 1.964 -0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.814 3.174 0.377 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.029 4.106 0.366 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.474 5.433 1.270 1.00 0.00 H new ATOM 288 N CYS A 20 -3.989 -3.536 -0.882 1.00 0.00 N ATOM 289 CA CYS A 20 -4.671 -4.813 -1.133 1.00 0.00 C ATOM 290 C CYS A 20 -5.885 -5.012 -0.203 1.00 0.00 C ATOM 291 O CYS A 20 -5.905 -4.533 0.935 1.00 0.00 O ATOM 292 CB CYS A 20 -3.700 -5.991 -1.012 1.00 0.00 C ATOM 293 SG CYS A 20 -2.259 -5.911 -2.104 1.00 0.00 S ATOM 0 H CYS A 20 -3.040 -3.639 -0.522 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.044 -4.778 -2.157 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.352 -6.051 0.019 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.243 -6.913 -1.220 1.00 0.00 H new ATOM 298 N ASN A 21 -6.897 -5.731 -0.695 1.00 0.00 N ATOM 299 CA ASN A 21 -8.118 -6.107 0.035 1.00 0.00 C ATOM 300 C ASN A 21 -7.868 -7.250 1.047 1.00 0.00 C ATOM 301 O ASN A 21 -8.385 -7.156 2.183 1.00 0.00 O ATOM 302 CB ASN A 21 -9.211 -6.429 -1.005 1.00 0.00 C ATOM 303 CG ASN A 21 -10.410 -7.175 -0.436 1.00 0.00 C ATOM 304 OD1 ASN A 21 -11.301 -6.602 0.181 1.00 0.00 O ATOM 305 ND2 ASN A 21 -10.473 -8.469 -0.648 1.00 0.00 N ATOM 306 OXT ASN A 21 -7.160 -8.227 0.706 1.00 0.00 O ATOM 0 H ASN A 21 -6.891 -6.083 -1.652 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.457 -5.277 0.654 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.556 -5.498 -1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.772 -7.025 -1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.267 -9.005 -0.298 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.728 -8.938 -1.162 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.943 -7.011 -4.505 1.00 0.00 N ATOM 315 CA PHE B 1 11.063 -5.814 -4.449 1.00 0.00 C ATOM 316 C PHE B 1 11.876 -4.540 -4.731 1.00 0.00 C ATOM 317 O PHE B 1 13.064 -4.497 -4.404 1.00 0.00 O ATOM 318 CB PHE B 1 10.319 -5.723 -3.101 1.00 0.00 C ATOM 319 CG PHE B 1 9.525 -6.967 -2.726 1.00 0.00 C ATOM 320 CD1 PHE B 1 8.210 -7.142 -3.203 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.100 -7.958 -1.905 1.00 0.00 C ATOM 322 CE1 PHE B 1 7.477 -8.296 -2.866 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.368 -9.111 -1.568 1.00 0.00 C ATOM 324 CZ PHE B 1 8.059 -9.285 -2.053 1.00 0.00 C ATOM 0 H1 PHE B 1 11.681 -7.671 -3.745 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.831 -7.481 -5.426 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.934 -6.719 -4.383 1.00 0.00 H new ATOM 0 HA PHE B 1 10.304 -5.912 -5.225 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.045 -5.521 -2.314 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.640 -4.871 -3.133 1.00 0.00 H new ATOM 0 HD1 PHE B 1 7.762 -6.386 -3.831 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.106 -7.832 -1.533 1.00 0.00 H new ATOM 0 HE1 PHE B 1 6.469 -8.422 -3.232 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.812 -9.865 -0.935 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.502 -10.176 -1.802 1.00 0.00 H new ATOM 336 N VAL B 2 11.269 -3.508 -5.337 1.00 0.00 N ATOM 337 CA VAL B 2 11.945 -2.271 -5.798 1.00 0.00 C ATOM 338 C VAL B 2 11.023 -1.045 -5.734 1.00 0.00 C ATOM 339 O VAL B 2 9.800 -1.173 -5.808 1.00 0.00 O ATOM 340 CB VAL B 2 12.510 -2.386 -7.242 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.697 -3.362 -7.343 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.439 -2.775 -8.282 1.00 0.00 C ATOM 0 H VAL B 2 10.267 -3.504 -5.528 1.00 0.00 H new ATOM 0 HA VAL B 2 12.777 -2.140 -5.106 1.00 0.00 H new ATOM 0 HB VAL B 2 12.865 -1.382 -7.476 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.049 -3.401 -8.374 1.00 0.00 H new ATOM 0 HG12 VAL B 2 14.505 -3.020 -6.696 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.378 -4.356 -7.031 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.897 -2.839 -9.269 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.010 -3.741 -8.018 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.653 -2.020 -8.295 1.00 0.00 H new ATOM 352 N ASN B 3 11.632 0.141 -5.647 1.00 0.00 N ATOM 353 CA ASN B 3 10.975 1.443 -5.801 1.00 0.00 C ATOM 354 C ASN B 3 10.945 1.896 -7.276 1.00 0.00 C ATOM 355 O ASN B 3 11.906 1.680 -8.020 1.00 0.00 O ATOM 356 CB ASN B 3 11.698 2.508 -4.957 1.00 0.00 C ATOM 357 CG ASN B 3 11.507 2.338 -3.453 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.051 1.434 -2.834 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.737 3.208 -2.822 1.00 0.00 N ATOM 0 H ASN B 3 12.631 0.224 -5.461 1.00 0.00 H new ATOM 0 HA ASN B 3 9.947 1.331 -5.455 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.764 2.476 -5.184 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.339 3.495 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.595 3.127 -1.815 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.285 3.960 -3.342 1.00 0.00 H new ATOM 366 N GLN B 4 9.860 2.558 -7.688 1.00 0.00 N ATOM 367 CA GLN B 4 9.626 3.044 -9.055 1.00 0.00 C ATOM 368 C GLN B 4 8.734 4.303 -9.050 1.00 0.00 C ATOM 369 O GLN B 4 7.990 4.544 -8.098 1.00 0.00 O ATOM 370 CB GLN B 4 8.930 1.944 -9.889 1.00 0.00 C ATOM 371 CG GLN B 4 9.789 0.701 -10.185 1.00 0.00 C ATOM 372 CD GLN B 4 9.064 -0.280 -11.109 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.553 -1.313 -10.689 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.985 -0.005 -12.398 1.00 0.00 N ATOM 0 H GLN B 4 9.090 2.780 -7.056 1.00 0.00 H new ATOM 0 HA GLN B 4 10.592 3.296 -9.493 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.030 1.626 -9.362 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.609 2.378 -10.836 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.728 1.009 -10.645 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.041 0.202 -9.250 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.404 0.850 -12.764 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.504 -0.647 -13.028 1.00 0.00 H new ATOM 383 N HIS B 5 8.747 5.074 -10.142 1.00 0.00 N ATOM 384 CA HIS B 5 7.595 5.897 -10.534 1.00 0.00 C ATOM 385 C HIS B 5 6.569 4.995 -11.254 1.00 0.00 C ATOM 386 O HIS B 5 6.940 4.186 -12.111 1.00 0.00 O ATOM 387 CB HIS B 5 8.024 7.029 -11.484 1.00 0.00 C ATOM 388 CG HIS B 5 8.702 8.203 -10.828 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.134 9.436 -10.584 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.018 8.288 -10.457 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.083 10.236 -10.070 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.256 9.581 -9.967 1.00 0.00 N ATOM 0 H HIS B 5 9.545 5.146 -10.773 1.00 0.00 H new ATOM 0 HA HIS B 5 7.159 6.344 -9.641 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.698 6.615 -12.234 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.142 7.390 -12.013 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.164 9.695 -10.762 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.748 7.495 -10.529 1.00 0.00 H new ATOM 0 HE1 HIS B 5 8.927 11.264 -9.779 1.00 0.00 H new ATOM 400 N LEU B 6 5.282 5.150 -10.935 1.00 0.00 N ATOM 401 CA LEU B 6 4.179 4.304 -11.389 1.00 0.00 C ATOM 402 C LEU B 6 2.919 5.176 -11.457 1.00 0.00 C ATOM 403 O LEU B 6 2.573 5.834 -10.478 1.00 0.00 O ATOM 404 CB LEU B 6 3.972 3.144 -10.391 1.00 0.00 C ATOM 405 CG LEU B 6 5.065 2.059 -10.334 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.767 1.099 -9.174 1.00 0.00 C ATOM 407 CD2 LEU B 6 5.141 1.253 -11.642 1.00 0.00 C ATOM 0 H LEU B 6 4.967 5.904 -10.325 1.00 0.00 H new ATOM 0 HA LEU B 6 4.395 3.879 -12.369 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.868 3.571 -9.394 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.026 2.658 -10.630 1.00 0.00 H new ATOM 0 HG LEU B 6 6.023 2.558 -10.186 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.538 0.330 -9.131 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.755 1.654 -8.236 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.796 0.630 -9.330 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.924 0.499 -11.560 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.184 0.764 -11.824 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.369 1.924 -12.470 1.00 0.00 H new ATOM 419 N CYS B 7 2.219 5.197 -12.592 1.00 0.00 N ATOM 420 CA CYS B 7 1.101 6.121 -12.803 1.00 0.00 C ATOM 421 C CYS B 7 0.058 5.570 -13.786 1.00 0.00 C ATOM 422 O CYS B 7 0.352 4.699 -14.612 1.00 0.00 O ATOM 423 CB CYS B 7 1.667 7.476 -13.252 1.00 0.00 C ATOM 424 SG CYS B 7 0.605 8.906 -12.918 1.00 0.00 S ATOM 0 H CYS B 7 2.407 4.582 -13.384 1.00 0.00 H new ATOM 0 HA CYS B 7 0.563 6.248 -11.864 1.00 0.00 H new ATOM 0 HB2 CYS B 7 2.626 7.633 -12.758 1.00 0.00 H new ATOM 0 HB3 CYS B 7 1.864 7.432 -14.323 1.00 0.00 H new ATOM 429 N GLY B 8 -1.172 6.079 -13.673 1.00 0.00 N ATOM 430 CA GLY B 8 -2.306 5.740 -14.540 1.00 0.00 C ATOM 431 C GLY B 8 -2.685 4.261 -14.474 1.00 0.00 C ATOM 432 O GLY B 8 -2.678 3.645 -13.409 1.00 0.00 O ATOM 0 H GLY B 8 -1.414 6.760 -12.953 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.168 6.344 -14.255 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.060 6.001 -15.569 1.00 0.00 H new ATOM 436 N SER B 9 -2.990 3.677 -15.630 1.00 0.00 N ATOM 437 CA SER B 9 -3.274 2.243 -15.774 1.00 0.00 C ATOM 438 C SER B 9 -2.118 1.360 -15.272 1.00 0.00 C ATOM 439 O SER B 9 -2.361 0.376 -14.577 1.00 0.00 O ATOM 440 CB SER B 9 -3.593 1.934 -17.246 1.00 0.00 C ATOM 441 OG SER B 9 -2.591 2.454 -18.114 1.00 0.00 O ATOM 0 H SER B 9 -3.049 4.191 -16.509 1.00 0.00 H new ATOM 0 HA SER B 9 -4.136 2.007 -15.150 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.673 0.856 -17.384 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.561 2.361 -17.508 1.00 0.00 H new ATOM 0 HG SER B 9 -2.820 2.241 -19.043 1.00 0.00 H new ATOM 447 N HIS B 10 -0.863 1.738 -15.517 1.00 0.00 N ATOM 448 CA HIS B 10 0.302 0.958 -15.091 1.00 0.00 C ATOM 449 C HIS B 10 0.451 0.868 -13.556 1.00 0.00 C ATOM 450 O HIS B 10 0.921 -0.153 -13.050 1.00 0.00 O ATOM 451 CB HIS B 10 1.559 1.527 -15.763 1.00 0.00 C ATOM 452 CG HIS B 10 1.531 1.472 -17.271 1.00 0.00 C ATOM 453 ND1 HIS B 10 0.929 0.511 -18.057 1.00 0.00 N ATOM 454 CD2 HIS B 10 2.120 2.367 -18.124 1.00 0.00 C ATOM 455 CE1 HIS B 10 1.145 0.829 -19.345 1.00 0.00 C ATOM 456 NE2 HIS B 10 1.873 1.958 -19.442 1.00 0.00 N ATOM 0 H HIS B 10 -0.624 2.594 -16.017 1.00 0.00 H new ATOM 0 HA HIS B 10 0.155 -0.073 -15.414 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.687 2.563 -15.450 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.429 0.976 -15.406 1.00 0.00 H new ATOM 0 HD1 HIS B 10 0.410 -0.300 -17.719 1.00 0.00 H new ATOM 0 HD2 HIS B 10 2.681 3.242 -17.830 1.00 0.00 H new ATOM 0 HE1 HIS B 10 0.784 0.257 -20.187 1.00 0.00 H new ATOM 464 N LEU B 11 -0.013 1.875 -12.800 1.00 0.00 N ATOM 465 CA LEU B 11 -0.112 1.795 -11.337 1.00 0.00 C ATOM 466 C LEU B 11 -1.207 0.810 -10.899 1.00 0.00 C ATOM 467 O LEU B 11 -0.979 0.022 -9.987 1.00 0.00 O ATOM 468 CB LEU B 11 -0.356 3.203 -10.768 1.00 0.00 C ATOM 469 CG LEU B 11 -0.484 3.259 -9.230 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.750 2.728 -8.487 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.724 4.710 -8.800 1.00 0.00 C ATOM 0 H LEU B 11 -0.329 2.765 -13.186 1.00 0.00 H new ATOM 0 HA LEU B 11 0.827 1.411 -10.938 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.464 3.852 -11.076 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.266 3.607 -11.211 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.320 2.612 -8.965 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.586 2.799 -7.412 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.919 1.686 -8.760 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.623 3.321 -8.761 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.815 4.758 -7.715 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.115 5.328 -9.121 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.642 5.078 -9.258 1.00 0.00 H new ATOM 483 N VAL B 12 -2.363 0.824 -11.571 1.00 0.00 N ATOM 484 CA VAL B 12 -3.461 -0.128 -11.307 1.00 0.00 C ATOM 485 C VAL B 12 -3.031 -1.567 -11.634 1.00 0.00 C ATOM 486 O VAL B 12 -3.347 -2.483 -10.879 1.00 0.00 O ATOM 487 CB VAL B 12 -4.756 0.254 -12.067 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.898 -0.753 -11.823 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.257 1.648 -11.644 1.00 0.00 C ATOM 0 H VAL B 12 -2.569 1.492 -12.313 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.687 -0.074 -10.242 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.493 0.248 -13.125 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.783 -0.441 -12.377 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.589 -1.742 -12.160 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.130 -0.789 -10.759 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.167 1.890 -12.193 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.467 1.650 -10.575 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.492 2.392 -11.864 1.00 0.00 H new ATOM 499 N GLU B 13 -2.263 -1.768 -12.712 1.00 0.00 N ATOM 500 CA GLU B 13 -1.656 -3.050 -13.069 1.00 0.00 C ATOM 501 C GLU B 13 -0.637 -3.502 -12.012 1.00 0.00 C ATOM 502 O GLU B 13 -0.711 -4.642 -11.560 1.00 0.00 O ATOM 503 CB GLU B 13 -0.972 -2.954 -14.438 1.00 0.00 C ATOM 504 CG GLU B 13 -1.959 -2.882 -15.610 1.00 0.00 C ATOM 505 CD GLU B 13 -1.218 -2.778 -16.952 1.00 0.00 C ATOM 506 OE1 GLU B 13 -0.594 -1.725 -17.231 1.00 0.00 O ATOM 507 OE2 GLU B 13 -1.243 -3.757 -17.737 1.00 0.00 O ATOM 0 H GLU B 13 -2.043 -1.024 -13.374 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.454 -3.791 -13.114 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.334 -2.070 -14.456 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.323 -3.819 -14.573 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -2.594 -3.768 -15.609 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -2.614 -2.020 -15.485 1.00 0.00 H new ATOM 514 N ALA B 14 0.281 -2.631 -11.577 1.00 0.00 N ATOM 515 CA ALA B 14 1.268 -2.960 -10.545 1.00 0.00 C ATOM 516 C ALA B 14 0.596 -3.350 -9.217 1.00 0.00 C ATOM 517 O ALA B 14 0.944 -4.378 -8.627 1.00 0.00 O ATOM 518 CB ALA B 14 2.223 -1.768 -10.380 1.00 0.00 C ATOM 0 H ALA B 14 0.360 -1.678 -11.932 1.00 0.00 H new ATOM 0 HA ALA B 14 1.840 -3.834 -10.857 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.964 -1.999 -9.614 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.728 -1.572 -11.326 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.656 -0.886 -10.082 1.00 0.00 H new ATOM 524 N LEU B 15 -0.409 -2.580 -8.781 1.00 0.00 N ATOM 525 CA LEU B 15 -1.218 -2.869 -7.597 1.00 0.00 C ATOM 526 C LEU B 15 -1.888 -4.246 -7.713 1.00 0.00 C ATOM 527 O LEU B 15 -1.691 -5.104 -6.855 1.00 0.00 O ATOM 528 CB LEU B 15 -2.224 -1.713 -7.426 1.00 0.00 C ATOM 529 CG LEU B 15 -3.181 -1.835 -6.224 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.446 -1.958 -4.884 1.00 0.00 C ATOM 531 CD2 LEU B 15 -4.089 -0.597 -6.183 1.00 0.00 C ATOM 0 H LEU B 15 -0.686 -1.720 -9.254 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.599 -2.928 -6.702 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.667 -0.781 -7.330 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.820 -1.636 -8.336 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.759 -2.749 -6.361 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.173 -2.041 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.814 -2.846 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.827 -1.075 -4.726 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.770 -0.673 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.478 0.299 -6.077 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.664 -0.537 -7.107 1.00 0.00 H new ATOM 543 N TYR B 16 -2.587 -4.512 -8.818 1.00 0.00 N ATOM 544 CA TYR B 16 -3.191 -5.818 -9.100 1.00 0.00 C ATOM 545 C TYR B 16 -2.177 -6.976 -9.090 1.00 0.00 C ATOM 546 O TYR B 16 -2.465 -8.041 -8.545 1.00 0.00 O ATOM 547 CB TYR B 16 -3.926 -5.752 -10.448 1.00 0.00 C ATOM 548 CG TYR B 16 -4.474 -7.083 -10.929 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.490 -7.732 -10.197 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.941 -7.694 -12.081 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.976 -8.987 -10.616 1.00 0.00 C ATOM 552 CE2 TYR B 16 -4.417 -8.949 -12.502 1.00 0.00 C ATOM 553 CZ TYR B 16 -5.435 -9.603 -11.769 1.00 0.00 C ATOM 554 OH TYR B 16 -5.888 -10.820 -12.180 1.00 0.00 O ATOM 0 H TYR B 16 -2.752 -3.821 -9.550 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.894 -6.033 -8.295 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.749 -5.043 -10.365 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.243 -5.360 -11.202 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.897 -7.266 -9.312 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -3.164 -7.197 -12.643 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.760 -9.477 -10.058 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -4.005 -9.414 -13.386 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.406 -11.092 -12.989 1.00 0.00 H new ATOM 564 N LEU B 17 -0.976 -6.773 -9.645 1.00 0.00 N ATOM 565 CA LEU B 17 0.089 -7.786 -9.699 1.00 0.00 C ATOM 566 C LEU B 17 0.752 -8.029 -8.338 1.00 0.00 C ATOM 567 O LEU B 17 1.130 -9.165 -8.051 1.00 0.00 O ATOM 568 CB LEU B 17 1.123 -7.387 -10.769 1.00 0.00 C ATOM 569 CG LEU B 17 0.614 -7.534 -12.223 1.00 0.00 C ATOM 570 CD1 LEU B 17 1.593 -6.835 -13.180 1.00 0.00 C ATOM 571 CD2 LEU B 17 0.464 -9.008 -12.638 1.00 0.00 C ATOM 0 H LEU B 17 -0.711 -5.887 -10.076 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.368 -8.736 -9.976 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.422 -6.352 -10.603 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.015 -8.000 -10.644 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.371 -7.071 -12.277 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.236 -6.938 -14.205 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.660 -5.778 -12.923 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.578 -7.293 -13.091 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.104 -9.062 -13.666 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.430 -9.507 -12.565 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.249 -9.501 -11.978 1.00 0.00 H new ATOM 583 N VAL B 18 0.846 -7.006 -7.487 1.00 0.00 N ATOM 584 CA VAL B 18 1.283 -7.144 -6.086 1.00 0.00 C ATOM 585 C VAL B 18 0.241 -7.909 -5.266 1.00 0.00 C ATOM 586 O VAL B 18 0.591 -8.817 -4.509 1.00 0.00 O ATOM 587 CB VAL B 18 1.587 -5.765 -5.443 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.704 -5.803 -3.907 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.911 -5.223 -6.001 1.00 0.00 C ATOM 0 H VAL B 18 0.620 -6.046 -7.748 1.00 0.00 H new ATOM 0 HA VAL B 18 2.210 -7.717 -6.086 1.00 0.00 H new ATOM 0 HB VAL B 18 0.740 -5.126 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.917 -4.801 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.766 -6.158 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.511 -6.477 -3.620 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.126 -4.254 -5.550 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.717 -5.919 -5.767 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.831 -5.111 -7.082 1.00 0.00 H new ATOM 599 N CYS B 19 -1.039 -7.559 -5.413 1.00 0.00 N ATOM 600 CA CYS B 19 -2.115 -8.152 -4.614 1.00 0.00 C ATOM 601 C CYS B 19 -2.493 -9.572 -5.059 1.00 0.00 C ATOM 602 O CYS B 19 -2.810 -10.413 -4.214 1.00 0.00 O ATOM 603 CB CYS B 19 -3.335 -7.228 -4.632 1.00 0.00 C ATOM 604 SG CYS B 19 -3.008 -5.573 -3.963 1.00 0.00 S ATOM 0 H CYS B 19 -1.358 -6.861 -6.085 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.743 -8.253 -3.594 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.691 -7.132 -5.658 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.138 -7.690 -4.058 1.00 0.00 H new ATOM 609 N GLY B 20 -2.457 -9.852 -6.364 1.00 0.00 N ATOM 610 CA GLY B 20 -2.866 -11.131 -6.948 1.00 0.00 C ATOM 611 C GLY B 20 -4.356 -11.403 -6.724 1.00 0.00 C ATOM 612 O GLY B 20 -5.194 -10.516 -6.891 1.00 0.00 O ATOM 0 H GLY B 20 -2.135 -9.180 -7.060 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.653 -11.128 -8.017 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.278 -11.937 -6.508 1.00 0.00 H new ATOM 616 N GLU B 21 -4.675 -12.633 -6.312 1.00 0.00 N ATOM 617 CA GLU B 21 -6.041 -13.091 -6.021 1.00 0.00 C ATOM 618 C GLU B 21 -6.736 -12.352 -4.858 1.00 0.00 C ATOM 619 O GLU B 21 -7.964 -12.400 -4.746 1.00 0.00 O ATOM 620 CB GLU B 21 -6.021 -14.608 -5.761 1.00 0.00 C ATOM 621 CG GLU B 21 -5.231 -15.034 -4.514 1.00 0.00 C ATOM 622 CD GLU B 21 -5.274 -16.562 -4.328 1.00 0.00 C ATOM 623 OE1 GLU B 21 -4.460 -17.273 -4.962 1.00 0.00 O ATOM 624 OE2 GLU B 21 -6.123 -17.060 -3.550 1.00 0.00 O ATOM 0 H GLU B 21 -3.973 -13.359 -6.167 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.639 -12.854 -6.901 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -7.048 -14.960 -5.662 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -5.596 -15.107 -6.632 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -4.196 -14.704 -4.605 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.645 -14.545 -3.632 1.00 0.00 H new ATOM 631 N ARG B 22 -5.976 -11.653 -4.003 1.00 0.00 N ATOM 632 CA ARG B 22 -6.496 -10.914 -2.839 1.00 0.00 C ATOM 633 C ARG B 22 -7.449 -9.766 -3.221 1.00 0.00 C ATOM 634 O ARG B 22 -8.373 -9.453 -2.463 1.00 0.00 O ATOM 635 CB ARG B 22 -5.327 -10.353 -2.003 1.00 0.00 C ATOM 636 CG ARG B 22 -4.462 -11.464 -1.381 1.00 0.00 C ATOM 637 CD ARG B 22 -3.308 -10.903 -0.536 1.00 0.00 C ATOM 638 NE ARG B 22 -2.192 -10.404 -1.361 1.00 0.00 N ATOM 639 CZ ARG B 22 -1.058 -9.882 -0.904 1.00 0.00 C ATOM 640 NH1 ARG B 22 -0.818 -9.690 0.373 1.00 0.00 N ATOM 641 NH2 ARG B 22 -0.091 -9.528 -1.714 1.00 0.00 N ATOM 0 H ARG B 22 -4.963 -11.583 -4.101 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.075 -11.629 -2.255 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -4.703 -9.722 -2.635 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -5.723 -9.718 -1.210 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.088 -12.102 -0.758 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.056 -12.092 -2.174 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -3.682 -10.094 0.091 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -2.941 -11.681 0.133 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.300 -10.465 -2.373 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.520 -9.945 1.068 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.070 -9.285 0.670 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.199 -9.651 -2.721 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.769 -9.130 -1.338 1.00 0.00 H new ATOM 655 N GLY B 23 -7.231 -9.129 -4.383 1.00 0.00 N ATOM 656 CA GLY B 23 -7.927 -7.904 -4.811 1.00 0.00 C ATOM 657 C GLY B 23 -7.340 -6.643 -4.168 1.00 0.00 C ATOM 658 O GLY B 23 -6.383 -6.719 -3.396 1.00 0.00 O ATOM 0 H GLY B 23 -6.550 -9.459 -5.067 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -7.868 -7.816 -5.896 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -8.984 -7.981 -4.554 1.00 0.00 H new ATOM 662 N PHE B 24 -7.913 -5.474 -4.471 1.00 0.00 N ATOM 663 CA PHE B 24 -7.374 -4.169 -4.066 1.00 0.00 C ATOM 664 C PHE B 24 -8.436 -3.059 -4.003 1.00 0.00 C ATOM 665 O PHE B 24 -9.535 -3.189 -4.552 1.00 0.00 O ATOM 666 CB PHE B 24 -6.220 -3.781 -5.007 1.00 0.00 C ATOM 667 CG PHE B 24 -6.624 -3.540 -6.452 1.00 0.00 C ATOM 668 CD1 PHE B 24 -7.029 -2.260 -6.873 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.609 -4.605 -7.375 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.416 -2.045 -8.206 1.00 0.00 C ATOM 671 CE2 PHE B 24 -7.018 -4.390 -8.705 1.00 0.00 C ATOM 672 CZ PHE B 24 -7.416 -3.109 -9.123 1.00 0.00 C ATOM 0 H PHE B 24 -8.775 -5.405 -5.011 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.003 -4.272 -3.046 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.745 -2.878 -4.623 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.469 -4.571 -4.982 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.042 -1.441 -6.169 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.284 -5.586 -7.062 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.715 -1.058 -8.527 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -7.026 -5.212 -9.406 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.721 -2.943 -10.146 1.00 0.00 H new ATOM 682 N PHE B 25 -8.072 -1.951 -3.345 1.00 0.00 N ATOM 683 CA PHE B 25 -8.849 -0.716 -3.239 1.00 0.00 C ATOM 684 C PHE B 25 -7.975 0.478 -3.658 1.00 0.00 C ATOM 685 O PHE B 25 -7.139 0.961 -2.897 1.00 0.00 O ATOM 686 CB PHE B 25 -9.376 -0.590 -1.799 1.00 0.00 C ATOM 687 CG PHE B 25 -10.180 0.663 -1.513 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.327 0.956 -2.279 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.801 1.530 -0.470 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.080 2.113 -2.009 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.564 2.681 -0.194 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.699 2.975 -0.965 1.00 0.00 C ATOM 0 H PHE B 25 -7.183 -1.892 -2.849 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.708 -0.732 -3.910 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.997 -1.459 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.528 -0.622 -1.115 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.628 0.291 -3.075 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.923 1.312 0.120 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.952 2.340 -2.604 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.275 3.339 0.613 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.279 3.862 -0.757 1.00 0.00 H new ATOM 702 N TYR B 26 -8.157 0.932 -4.899 1.00 0.00 N ATOM 703 CA TYR B 26 -7.411 2.042 -5.508 1.00 0.00 C ATOM 704 C TYR B 26 -7.991 3.410 -5.098 1.00 0.00 C ATOM 705 O TYR B 26 -9.201 3.629 -5.209 1.00 0.00 O ATOM 706 CB TYR B 26 -7.444 1.831 -7.031 1.00 0.00 C ATOM 707 CG TYR B 26 -6.686 2.844 -7.868 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.280 2.817 -7.892 1.00 0.00 C ATOM 709 CD2 TYR B 26 -7.386 3.771 -8.666 1.00 0.00 C ATOM 710 CE1 TYR B 26 -4.571 3.701 -8.726 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.681 4.664 -9.491 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.269 4.630 -9.530 1.00 0.00 C ATOM 713 OH TYR B 26 -4.594 5.484 -10.349 1.00 0.00 O ATOM 0 H TYR B 26 -8.848 0.527 -5.530 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.380 2.048 -5.155 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.044 0.841 -7.248 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.485 1.832 -7.354 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.744 2.116 -7.269 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.465 3.795 -8.644 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.492 3.669 -8.752 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.220 5.378 -10.097 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.233 6.051 -10.829 1.00 0.00 H new ATOM 723 N THR B 27 -7.132 4.331 -4.621 1.00 0.00 N ATOM 724 CA THR B 27 -7.531 5.615 -3.997 1.00 0.00 C ATOM 725 C THR B 27 -6.822 6.824 -4.633 1.00 0.00 C ATOM 726 O THR B 27 -5.834 7.315 -4.077 1.00 0.00 O ATOM 727 CB THR B 27 -7.320 5.558 -2.476 1.00 0.00 C ATOM 728 OG1 THR B 27 -5.999 5.165 -2.184 1.00 0.00 O ATOM 729 CG2 THR B 27 -8.266 4.566 -1.801 1.00 0.00 C ATOM 0 H THR B 27 -6.121 4.204 -4.658 1.00 0.00 H new ATOM 0 HA THR B 27 -8.594 5.759 -4.188 1.00 0.00 H new ATOM 0 HB THR B 27 -7.523 6.558 -2.093 1.00 0.00 H new ATOM 0 HG1 THR B 27 -5.371 5.749 -2.659 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.081 4.560 -0.727 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.298 4.862 -1.989 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.095 3.568 -2.205 1.00 0.00 H new ATOM 737 N PRO B 28 -7.305 7.323 -5.788 1.00 0.00 N ATOM 738 CA PRO B 28 -6.838 8.565 -6.398 1.00 0.00 C ATOM 739 C PRO B 28 -7.498 9.787 -5.736 1.00 0.00 C ATOM 740 O PRO B 28 -8.517 9.672 -5.054 1.00 0.00 O ATOM 741 CB PRO B 28 -7.229 8.442 -7.873 1.00 0.00 C ATOM 742 CG PRO B 28 -8.545 7.664 -7.810 1.00 0.00 C ATOM 743 CD PRO B 28 -8.338 6.719 -6.624 1.00 0.00 C ATOM 0 HA PRO B 28 -5.765 8.711 -6.275 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -7.358 9.418 -8.340 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.472 7.910 -8.449 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -9.397 8.326 -7.653 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -8.733 7.116 -8.733 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -9.264 6.591 -6.064 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -8.032 5.730 -6.965 1.00 0.00 H new ATOM 751 N LYS B 29 -6.932 10.978 -5.970 1.00 0.00 N ATOM 752 CA LYS B 29 -7.578 12.255 -5.621 1.00 0.00 C ATOM 753 C LYS B 29 -8.717 12.631 -6.598 1.00 0.00 C ATOM 754 O LYS B 29 -8.675 12.265 -7.778 1.00 0.00 O ATOM 755 CB LYS B 29 -6.521 13.373 -5.547 1.00 0.00 C ATOM 756 CG LYS B 29 -5.722 13.312 -4.235 1.00 0.00 C ATOM 757 CD LYS B 29 -4.725 14.475 -4.142 1.00 0.00 C ATOM 758 CE LYS B 29 -4.140 14.548 -2.727 1.00 0.00 C ATOM 759 NZ LYS B 29 -3.158 15.653 -2.594 1.00 0.00 N ATOM 0 H LYS B 29 -6.016 11.086 -6.405 1.00 0.00 H new ATOM 0 HA LYS B 29 -8.042 12.133 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -5.839 13.286 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -7.011 14.343 -5.630 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -6.406 13.346 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -5.187 12.364 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -3.925 14.339 -4.869 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -5.223 15.413 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -4.946 14.689 -2.007 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -3.657 13.601 -2.484 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -3.065 15.916 -1.592 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -2.235 15.342 -2.958 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -3.486 16.476 -3.139 1.00 0.00 H new ATOM 773 N THR B 30 -9.708 13.376 -6.076 1.00 0.00 N ATOM 774 CA THR B 30 -10.882 13.976 -6.765 1.00 0.00 C ATOM 775 C THR B 30 -12.042 12.983 -6.895 1.00 0.00 C ATOM 776 O THR B 30 -13.040 13.147 -6.157 1.00 0.00 O ATOM 777 CB THR B 30 -10.549 14.619 -8.122 1.00 0.00 C ATOM 778 OG1 THR B 30 -9.460 15.502 -7.950 1.00 0.00 O ATOM 779 CG2 THR B 30 -11.724 15.438 -8.670 1.00 0.00 C ATOM 780 OXT THR B 30 -11.953 12.028 -7.701 1.00 0.00 O ATOM 0 H THR B 30 -9.716 13.596 -5.080 1.00 0.00 H new ATOM 0 HA THR B 30 -11.202 14.791 -6.116 1.00 0.00 H new ATOM 0 HB THR B 30 -10.320 13.816 -8.823 1.00 0.00 H new ATOM 0 HG1 THR B 30 -9.237 15.917 -8.809 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.447 15.875 -9.629 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.589 14.789 -8.803 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.972 16.233 -7.967 1.00 0.00 H new TER 788 THR B 30