USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 410 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+ -129:sc= 0.642 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.441 K(o=0.44,f=-0.082) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00409 X(o=-0.0041,f=-0.31) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.656 K(o=0.66,f=-1.5) USER MOD Single : B 1 PHE N :NH3+ -112:sc= 0.0864 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.657 K(o=0.66,f=0) USER MOD Single : B 4 GLN : amide:sc= 0.833 K(o=0.83,f=-0.35) USER MOD Single : B 5 HIS : no HE2:sc= 0.374 K(o=0.37,f=-1.5) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.015) USER MOD Single : B 16 TYR OH : rot 14:sc= 1.18 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.440 -3.850 4.713 1.00 0.00 N ATOM 2 CA GLY A 1 11.256 -4.143 3.878 1.00 0.00 C ATOM 3 C GLY A 1 11.424 -5.422 3.069 1.00 0.00 C ATOM 4 O GLY A 1 12.544 -5.780 2.711 1.00 0.00 O ATOM 0 H1 GLY A 1 12.139 -3.673 5.693 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.089 -4.662 4.692 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.926 -3.008 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.377 -4.232 4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.076 -3.308 3.201 1.00 0.00 H new ATOM 10 N ILE A 2 10.311 -6.089 2.738 1.00 0.00 N ATOM 11 CA ILE A 2 10.241 -7.413 2.084 1.00 0.00 C ATOM 12 C ILE A 2 11.101 -7.512 0.806 1.00 0.00 C ATOM 13 O ILE A 2 11.987 -8.363 0.715 1.00 0.00 O ATOM 14 CB ILE A 2 8.741 -7.764 1.883 1.00 0.00 C ATOM 15 CG1 ILE A 2 8.435 -9.256 1.635 1.00 0.00 C ATOM 16 CG2 ILE A 2 8.000 -6.877 0.867 1.00 0.00 C ATOM 17 CD1 ILE A 2 9.024 -9.921 0.383 1.00 0.00 C ATOM 0 H ILE A 2 9.385 -5.705 2.926 1.00 0.00 H new ATOM 0 HA ILE A 2 10.692 -8.169 2.727 1.00 0.00 H new ATOM 0 HB ILE A 2 8.335 -7.530 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.783 -9.816 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.352 -9.371 1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.961 -7.197 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.038 -5.838 1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 2 8.476 -6.966 -0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.720 -10.967 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.659 -9.409 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 2 10.112 -9.860 0.416 1.00 0.00 H new ATOM 29 N VAL A 3 10.904 -6.601 -0.154 1.00 0.00 N ATOM 30 CA VAL A 3 11.678 -6.545 -1.413 1.00 0.00 C ATOM 31 C VAL A 3 13.008 -5.802 -1.233 1.00 0.00 C ATOM 32 O VAL A 3 14.034 -6.153 -1.818 1.00 0.00 O ATOM 33 CB VAL A 3 10.808 -5.975 -2.556 1.00 0.00 C ATOM 34 CG1 VAL A 3 10.481 -4.484 -2.396 1.00 0.00 C ATOM 35 CG2 VAL A 3 11.443 -6.169 -3.939 1.00 0.00 C ATOM 0 H VAL A 3 10.196 -5.870 -0.084 1.00 0.00 H new ATOM 0 HA VAL A 3 11.951 -7.561 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 3 9.885 -6.550 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.868 -4.154 -3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.936 -4.329 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.407 -3.909 -2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.788 -5.749 -4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 3 12.408 -5.663 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 3 11.585 -7.233 -4.128 1.00 0.00 H new ATOM 45 N GLU A 4 13.016 -4.792 -0.363 1.00 0.00 N ATOM 46 CA GLU A 4 14.154 -3.904 -0.106 1.00 0.00 C ATOM 47 C GLU A 4 15.381 -4.651 0.441 1.00 0.00 C ATOM 48 O GLU A 4 16.518 -4.313 0.097 1.00 0.00 O ATOM 49 CB GLU A 4 13.652 -2.832 0.878 1.00 0.00 C ATOM 50 CG GLU A 4 14.673 -1.776 1.317 1.00 0.00 C ATOM 51 CD GLU A 4 14.091 -0.893 2.440 1.00 0.00 C ATOM 52 OE1 GLU A 4 13.762 -1.433 3.528 1.00 0.00 O ATOM 53 OE2 GLU A 4 13.954 0.339 2.243 1.00 0.00 O ATOM 0 H GLU A 4 12.201 -4.560 0.204 1.00 0.00 H new ATOM 0 HA GLU A 4 14.499 -3.455 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.805 -2.319 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.277 -3.335 1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.583 -2.265 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.951 -1.155 0.466 1.00 0.00 H new ATOM 60 N GLN A 5 15.151 -5.714 1.221 1.00 0.00 N ATOM 61 CA GLN A 5 16.195 -6.549 1.828 1.00 0.00 C ATOM 62 C GLN A 5 17.150 -7.184 0.801 1.00 0.00 C ATOM 63 O GLN A 5 18.283 -7.495 1.155 1.00 0.00 O ATOM 64 CB GLN A 5 15.528 -7.616 2.714 1.00 0.00 C ATOM 65 CG GLN A 5 16.506 -8.465 3.554 1.00 0.00 C ATOM 66 CD GLN A 5 17.384 -7.628 4.485 1.00 0.00 C ATOM 67 OE1 GLN A 5 16.921 -7.048 5.460 1.00 0.00 O ATOM 68 NE2 GLN A 5 18.669 -7.506 4.223 1.00 0.00 N ATOM 0 H GLN A 5 14.208 -6.026 1.454 1.00 0.00 H new ATOM 0 HA GLN A 5 16.827 -5.902 2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 5 14.827 -7.122 3.387 1.00 0.00 H new ATOM 0 HB3 GLN A 5 14.944 -8.282 2.079 1.00 0.00 H new ATOM 0 HG2 GLN A 5 15.938 -9.181 4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.144 -9.041 2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.072 -7.981 3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 5 19.261 -6.936 4.827 1.00 0.00 H new ATOM 77 N CYS A 6 16.731 -7.345 -0.460 1.00 0.00 N ATOM 78 CA CYS A 6 17.609 -7.793 -1.550 1.00 0.00 C ATOM 79 C CYS A 6 17.710 -6.801 -2.727 1.00 0.00 C ATOM 80 O CYS A 6 18.655 -6.892 -3.513 1.00 0.00 O ATOM 81 CB CYS A 6 17.179 -9.185 -2.011 1.00 0.00 C ATOM 82 SG CYS A 6 18.546 -10.363 -2.114 1.00 0.00 S ATOM 0 H CYS A 6 15.771 -7.168 -0.755 1.00 0.00 H new ATOM 0 HA CYS A 6 18.621 -7.839 -1.148 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.428 -9.571 -1.322 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.704 -9.105 -2.989 1.00 0.00 H new ATOM 87 N CYS A 7 16.768 -5.861 -2.873 1.00 0.00 N ATOM 88 CA CYS A 7 16.730 -4.924 -4.007 1.00 0.00 C ATOM 89 C CYS A 7 17.657 -3.701 -3.822 1.00 0.00 C ATOM 90 O CYS A 7 18.057 -3.074 -4.806 1.00 0.00 O ATOM 91 CB CYS A 7 15.266 -4.552 -4.277 1.00 0.00 C ATOM 92 SG CYS A 7 14.969 -3.606 -5.800 1.00 0.00 S ATOM 0 H CYS A 7 16.007 -5.727 -2.207 1.00 0.00 H new ATOM 0 HA CYS A 7 17.137 -5.415 -4.891 1.00 0.00 H new ATOM 0 HB2 CYS A 7 14.678 -5.469 -4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 7 14.894 -3.973 -3.432 1.00 0.00 H new ATOM 97 N THR A 8 18.044 -3.388 -2.579 1.00 0.00 N ATOM 98 CA THR A 8 19.100 -2.400 -2.260 1.00 0.00 C ATOM 99 C THR A 8 20.081 -2.944 -1.212 1.00 0.00 C ATOM 100 O THR A 8 21.298 -2.804 -1.367 1.00 0.00 O ATOM 101 CB THR A 8 18.503 -1.034 -1.884 1.00 0.00 C ATOM 102 OG1 THR A 8 19.536 -0.084 -1.728 1.00 0.00 O ATOM 103 CG2 THR A 8 17.673 -1.036 -0.602 1.00 0.00 C ATOM 0 H THR A 8 17.631 -3.816 -1.750 1.00 0.00 H new ATOM 0 HA THR A 8 19.687 -2.231 -3.163 1.00 0.00 H new ATOM 0 HB THR A 8 17.832 -0.781 -2.705 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.149 0.784 -1.490 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.292 -0.032 -0.414 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.837 -1.727 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.297 -1.350 0.235 1.00 0.00 H new ATOM 111 N SER A 9 19.576 -3.654 -0.194 1.00 0.00 N ATOM 112 CA SER A 9 20.389 -4.450 0.740 1.00 0.00 C ATOM 113 C SER A 9 20.701 -5.830 0.131 1.00 0.00 C ATOM 114 O SER A 9 20.260 -6.135 -0.978 1.00 0.00 O ATOM 115 CB SER A 9 19.654 -4.575 2.082 1.00 0.00 C ATOM 116 OG SER A 9 19.505 -3.304 2.690 1.00 0.00 O ATOM 0 H SER A 9 18.577 -3.693 0.008 1.00 0.00 H new ATOM 0 HA SER A 9 21.340 -3.949 0.919 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.674 -5.026 1.925 1.00 0.00 H new ATOM 0 HB3 SER A 9 20.208 -5.239 2.746 1.00 0.00 H new ATOM 0 HG SER A 9 19.033 -3.403 3.543 1.00 0.00 H new ATOM 122 N ILE A 10 21.467 -6.670 0.835 1.00 0.00 N ATOM 123 CA ILE A 10 21.759 -8.067 0.451 1.00 0.00 C ATOM 124 C ILE A 10 20.924 -9.066 1.269 1.00 0.00 C ATOM 125 O ILE A 10 20.611 -8.809 2.436 1.00 0.00 O ATOM 126 CB ILE A 10 23.274 -8.376 0.537 1.00 0.00 C ATOM 127 CG1 ILE A 10 23.851 -8.091 1.944 1.00 0.00 C ATOM 128 CG2 ILE A 10 24.022 -7.587 -0.551 1.00 0.00 C ATOM 129 CD1 ILE A 10 25.282 -8.597 2.144 1.00 0.00 C ATOM 0 H ILE A 10 21.915 -6.397 1.710 1.00 0.00 H new ATOM 0 HA ILE A 10 21.466 -8.185 -0.592 1.00 0.00 H new ATOM 0 HB ILE A 10 23.416 -9.443 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 10 23.828 -7.016 2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 10 23.205 -8.553 2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 10 25.088 -7.805 -0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 10 23.648 -7.877 -1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 10 23.861 -6.519 -0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 10 25.614 -8.359 3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 10 25.310 -9.677 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 10 25.942 -8.116 1.422 1.00 0.00 H new ATOM 141 N CYS A 11 20.569 -10.215 0.680 1.00 0.00 N ATOM 142 CA CYS A 11 19.725 -11.233 1.319 1.00 0.00 C ATOM 143 C CYS A 11 20.238 -12.675 1.160 1.00 0.00 C ATOM 144 O CYS A 11 21.001 -13.001 0.253 1.00 0.00 O ATOM 145 CB CYS A 11 18.277 -11.120 0.815 1.00 0.00 C ATOM 146 SG CYS A 11 17.941 -11.817 -0.831 1.00 0.00 S ATOM 0 H CYS A 11 20.863 -10.467 -0.264 1.00 0.00 H new ATOM 0 HA CYS A 11 19.767 -11.023 2.388 1.00 0.00 H new ATOM 0 HB2 CYS A 11 17.624 -11.613 1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 11 18.000 -10.066 0.803 1.00 0.00 H new ATOM 151 N SER A 12 19.745 -13.556 2.035 1.00 0.00 N ATOM 152 CA SER A 12 19.929 -15.014 2.019 1.00 0.00 C ATOM 153 C SER A 12 18.587 -15.723 2.242 1.00 0.00 C ATOM 154 O SER A 12 17.598 -15.088 2.620 1.00 0.00 O ATOM 155 CB SER A 12 20.934 -15.413 3.109 1.00 0.00 C ATOM 156 OG SER A 12 20.399 -15.136 4.393 1.00 0.00 O ATOM 0 H SER A 12 19.171 -13.254 2.822 1.00 0.00 H new ATOM 0 HA SER A 12 20.317 -15.317 1.046 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.169 -16.474 3.026 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.868 -14.868 2.970 1.00 0.00 H new ATOM 0 HG SER A 12 21.047 -15.396 5.081 1.00 0.00 H new ATOM 162 N LEU A 13 18.539 -17.049 2.070 1.00 0.00 N ATOM 163 CA LEU A 13 17.333 -17.853 2.329 1.00 0.00 C ATOM 164 C LEU A 13 16.727 -17.634 3.727 1.00 0.00 C ATOM 165 O LEU A 13 15.504 -17.616 3.871 1.00 0.00 O ATOM 166 CB LEU A 13 17.614 -19.345 2.048 1.00 0.00 C ATOM 167 CG LEU A 13 18.459 -20.140 3.067 1.00 0.00 C ATOM 168 CD1 LEU A 13 18.497 -21.613 2.648 1.00 0.00 C ATOM 169 CD2 LEU A 13 19.909 -19.659 3.181 1.00 0.00 C ATOM 0 H LEU A 13 19.335 -17.598 1.747 1.00 0.00 H new ATOM 0 HA LEU A 13 16.568 -17.503 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 13 16.653 -19.850 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 13 18.112 -19.412 1.081 1.00 0.00 H new ATOM 0 HG LEU A 13 17.981 -19.990 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.092 -22.180 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 13 17.482 -22.011 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 13 18.943 -21.698 1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 13 20.437 -20.266 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 13 20.400 -19.752 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 13 19.923 -18.616 3.496 1.00 0.00 H new ATOM 181 N TYR A 14 17.559 -17.369 4.738 1.00 0.00 N ATOM 182 CA TYR A 14 17.119 -17.103 6.108 1.00 0.00 C ATOM 183 C TYR A 14 16.359 -15.770 6.244 1.00 0.00 C ATOM 184 O TYR A 14 15.553 -15.614 7.163 1.00 0.00 O ATOM 185 CB TYR A 14 18.343 -17.136 7.032 1.00 0.00 C ATOM 186 CG TYR A 14 19.242 -18.360 6.885 1.00 0.00 C ATOM 187 CD1 TYR A 14 18.689 -19.657 6.856 1.00 0.00 C ATOM 188 CD2 TYR A 14 20.635 -18.194 6.771 1.00 0.00 C ATOM 189 CE1 TYR A 14 19.524 -20.784 6.735 1.00 0.00 C ATOM 190 CE2 TYR A 14 21.474 -19.318 6.653 1.00 0.00 C ATOM 191 CZ TYR A 14 20.922 -20.618 6.638 1.00 0.00 C ATOM 192 OH TYR A 14 21.741 -21.699 6.521 1.00 0.00 O ATOM 0 H TYR A 14 18.572 -17.333 4.625 1.00 0.00 H new ATOM 0 HA TYR A 14 16.410 -17.879 6.396 1.00 0.00 H new ATOM 0 HB2 TYR A 14 18.941 -16.243 6.847 1.00 0.00 H new ATOM 0 HB3 TYR A 14 17.999 -17.081 8.065 1.00 0.00 H new ATOM 0 HD1 TYR A 14 17.619 -19.786 6.927 1.00 0.00 H new ATOM 0 HD2 TYR A 14 21.061 -17.202 6.774 1.00 0.00 H new ATOM 0 HE1 TYR A 14 19.095 -21.775 6.716 1.00 0.00 H new ATOM 0 HE2 TYR A 14 22.543 -19.186 6.574 1.00 0.00 H new ATOM 0 HH TYR A 14 22.672 -21.399 6.465 1.00 0.00 H new ATOM 202 N GLN A 15 16.568 -14.826 5.317 1.00 0.00 N ATOM 203 CA GLN A 15 15.763 -13.604 5.195 1.00 0.00 C ATOM 204 C GLN A 15 14.439 -13.887 4.471 1.00 0.00 C ATOM 205 O GLN A 15 13.393 -13.434 4.932 1.00 0.00 O ATOM 206 CB GLN A 15 16.557 -12.500 4.469 1.00 0.00 C ATOM 207 CG GLN A 15 17.912 -12.158 5.108 1.00 0.00 C ATOM 208 CD GLN A 15 17.831 -11.623 6.539 1.00 0.00 C ATOM 209 OE1 GLN A 15 16.818 -11.125 7.014 1.00 0.00 O ATOM 210 NE2 GLN A 15 18.913 -11.680 7.284 1.00 0.00 N ATOM 0 H GLN A 15 17.311 -14.891 4.621 1.00 0.00 H new ATOM 0 HA GLN A 15 15.528 -13.253 6.200 1.00 0.00 H new ATOM 0 HB2 GLN A 15 16.725 -12.811 3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 15 15.948 -11.596 4.435 1.00 0.00 H new ATOM 0 HG2 GLN A 15 18.535 -13.052 5.104 1.00 0.00 H new ATOM 0 HG3 GLN A 15 18.414 -11.417 4.486 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.769 -12.090 6.910 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.897 -11.314 8.236 1.00 0.00 H new ATOM 219 N LEU A 16 14.448 -14.675 3.384 1.00 0.00 N ATOM 220 CA LEU A 16 13.226 -15.035 2.650 1.00 0.00 C ATOM 221 C LEU A 16 12.239 -15.830 3.528 1.00 0.00 C ATOM 222 O LEU A 16 11.041 -15.550 3.508 1.00 0.00 O ATOM 223 CB LEU A 16 13.567 -15.815 1.361 1.00 0.00 C ATOM 224 CG LEU A 16 14.067 -15.026 0.131 1.00 0.00 C ATOM 225 CD1 LEU A 16 13.219 -13.797 -0.193 1.00 0.00 C ATOM 226 CD2 LEU A 16 15.524 -14.577 0.243 1.00 0.00 C ATOM 0 H LEU A 16 15.299 -15.078 2.991 1.00 0.00 H new ATOM 0 HA LEU A 16 12.732 -14.105 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.328 -16.554 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.675 -16.365 1.061 1.00 0.00 H new ATOM 0 HG LEU A 16 13.975 -15.749 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.629 -13.292 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.194 -14.106 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.228 -13.114 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.806 -14.029 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.640 -13.931 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.167 -15.451 0.352 1.00 0.00 H new ATOM 238 N GLU A 17 12.721 -16.765 4.351 1.00 0.00 N ATOM 239 CA GLU A 17 11.882 -17.559 5.266 1.00 0.00 C ATOM 240 C GLU A 17 11.104 -16.718 6.307 1.00 0.00 C ATOM 241 O GLU A 17 10.158 -17.221 6.915 1.00 0.00 O ATOM 242 CB GLU A 17 12.725 -18.636 5.973 1.00 0.00 C ATOM 243 CG GLU A 17 13.103 -19.794 5.045 1.00 0.00 C ATOM 244 CD GLU A 17 13.836 -20.902 5.827 1.00 0.00 C ATOM 245 OE1 GLU A 17 15.059 -20.777 6.070 1.00 0.00 O ATOM 246 OE2 GLU A 17 13.188 -21.912 6.201 1.00 0.00 O ATOM 0 H GLU A 17 13.713 -16.998 4.405 1.00 0.00 H new ATOM 0 HA GLU A 17 11.126 -18.030 4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.633 -18.180 6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.168 -19.026 6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.205 -20.203 4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.740 -19.428 4.240 1.00 0.00 H new ATOM 253 N ASN A 18 11.442 -15.436 6.494 1.00 0.00 N ATOM 254 CA ASN A 18 10.702 -14.506 7.351 1.00 0.00 C ATOM 255 C ASN A 18 9.353 -14.054 6.736 1.00 0.00 C ATOM 256 O ASN A 18 8.458 -13.622 7.465 1.00 0.00 O ATOM 257 CB ASN A 18 11.625 -13.305 7.632 1.00 0.00 C ATOM 258 CG ASN A 18 11.176 -12.419 8.781 1.00 0.00 C ATOM 259 OD1 ASN A 18 10.480 -12.820 9.706 1.00 0.00 O ATOM 260 ND2 ASN A 18 11.615 -11.179 8.788 1.00 0.00 N ATOM 0 H ASN A 18 12.253 -15.010 6.045 1.00 0.00 H new ATOM 0 HA ASN A 18 10.431 -15.012 8.278 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.627 -13.676 7.846 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.696 -12.699 6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.376 -10.558 9.561 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.195 -10.839 8.021 1.00 0.00 H new ATOM 267 N TYR A 19 9.187 -14.150 5.408 1.00 0.00 N ATOM 268 CA TYR A 19 8.032 -13.602 4.669 1.00 0.00 C ATOM 269 C TYR A 19 6.941 -14.636 4.322 1.00 0.00 C ATOM 270 O TYR A 19 5.909 -14.283 3.741 1.00 0.00 O ATOM 271 CB TYR A 19 8.526 -12.888 3.404 1.00 0.00 C ATOM 272 CG TYR A 19 9.765 -12.023 3.560 1.00 0.00 C ATOM 273 CD1 TYR A 19 9.872 -11.095 4.617 1.00 0.00 C ATOM 274 CD2 TYR A 19 10.807 -12.135 2.617 1.00 0.00 C ATOM 275 CE1 TYR A 19 11.032 -10.308 4.756 1.00 0.00 C ATOM 276 CE2 TYR A 19 11.967 -11.346 2.751 1.00 0.00 C ATOM 277 CZ TYR A 19 12.089 -10.443 3.828 1.00 0.00 C ATOM 278 OH TYR A 19 13.216 -9.695 3.966 1.00 0.00 O ATOM 0 H TYR A 19 9.862 -14.619 4.804 1.00 0.00 H new ATOM 0 HA TYR A 19 7.545 -12.896 5.342 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.728 -13.641 2.643 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.717 -12.262 3.026 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.061 -10.987 5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.716 -12.826 1.792 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.113 -9.603 5.570 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.764 -11.433 2.028 1.00 0.00 H new ATOM 0 HH TYR A 19 13.843 -9.912 3.245 1.00 0.00 H new ATOM 288 N CYS A 20 7.161 -15.913 4.648 1.00 0.00 N ATOM 289 CA CYS A 20 6.281 -17.033 4.307 1.00 0.00 C ATOM 290 C CYS A 20 5.687 -17.780 5.517 1.00 0.00 C ATOM 291 O CYS A 20 6.083 -17.588 6.671 1.00 0.00 O ATOM 292 CB CYS A 20 7.032 -17.965 3.351 1.00 0.00 C ATOM 293 SG CYS A 20 8.403 -18.894 4.073 1.00 0.00 S ATOM 0 H CYS A 20 7.985 -16.205 5.174 1.00 0.00 H new ATOM 0 HA CYS A 20 5.399 -16.623 3.815 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.319 -18.674 2.930 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.417 -17.371 2.522 1.00 0.00 H new ATOM 298 N ASN A 21 4.706 -18.637 5.229 1.00 0.00 N ATOM 299 CA ASN A 21 3.994 -19.513 6.159 1.00 0.00 C ATOM 300 C ASN A 21 4.913 -20.586 6.800 1.00 0.00 C ATOM 301 O ASN A 21 6.014 -20.859 6.310 1.00 0.00 O ATOM 302 CB ASN A 21 2.856 -20.129 5.324 1.00 0.00 C ATOM 303 CG ASN A 21 1.834 -20.946 6.093 1.00 0.00 C ATOM 304 OD1 ASN A 21 1.623 -20.790 7.289 1.00 0.00 O ATOM 305 ND2 ASN A 21 1.147 -21.829 5.408 1.00 0.00 N ATOM 0 H ASN A 21 4.365 -18.744 4.274 1.00 0.00 H new ATOM 0 HA ASN A 21 3.612 -18.960 7.017 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.334 -19.323 4.808 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.298 -20.765 4.557 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.432 -22.390 5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.327 -21.954 4.412 1.00 0.00 H new ATOM 312 N GLY A 22 4.446 -21.212 7.891 1.00 0.00 N ATOM 313 CA GLY A 22 5.077 -22.365 8.560 1.00 0.00 C ATOM 314 C GLY A 22 4.527 -23.704 8.063 1.00 0.00 C ATOM 315 O GLY A 22 5.187 -24.343 7.216 1.00 0.00 O ATOM 316 OXT GLY A 22 3.441 -24.109 8.538 1.00 0.00 O ATOM 0 H GLY A 22 3.584 -20.919 8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.154 -22.334 8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.919 -22.288 9.636 1.00 0.00 H new TER 320 GLY A 22 ATOM 321 N PHE B 1 29.983 -14.830 3.990 1.00 0.00 N ATOM 322 CA PHE B 1 28.550 -14.598 3.675 1.00 0.00 C ATOM 323 C PHE B 1 28.366 -14.244 2.195 1.00 0.00 C ATOM 324 O PHE B 1 29.335 -13.926 1.500 1.00 0.00 O ATOM 325 CB PHE B 1 27.950 -13.506 4.594 1.00 0.00 C ATOM 326 CG PHE B 1 26.430 -13.394 4.573 1.00 0.00 C ATOM 327 CD1 PHE B 1 25.628 -14.475 4.991 1.00 0.00 C ATOM 328 CD2 PHE B 1 25.816 -12.202 4.134 1.00 0.00 C ATOM 329 CE1 PHE B 1 24.225 -14.364 4.977 1.00 0.00 C ATOM 330 CE2 PHE B 1 24.413 -12.093 4.113 1.00 0.00 C ATOM 331 CZ PHE B 1 23.618 -13.173 4.539 1.00 0.00 C ATOM 0 H1 PHE B 1 30.131 -15.835 4.215 1.00 0.00 H new ATOM 0 H2 PHE B 1 30.566 -14.570 3.169 1.00 0.00 H new ATOM 0 H3 PHE B 1 30.257 -14.248 4.807 1.00 0.00 H new ATOM 0 HA PHE B 1 28.007 -15.524 3.865 1.00 0.00 H new ATOM 0 HB2 PHE B 1 28.268 -13.702 5.618 1.00 0.00 H new ATOM 0 HB3 PHE B 1 28.372 -12.543 4.308 1.00 0.00 H new ATOM 0 HD1 PHE B 1 26.092 -15.392 5.323 1.00 0.00 H new ATOM 0 HD2 PHE B 1 26.425 -11.370 3.813 1.00 0.00 H new ATOM 0 HE1 PHE B 1 23.614 -15.193 5.303 1.00 0.00 H new ATOM 0 HE2 PHE B 1 23.947 -11.181 3.770 1.00 0.00 H new ATOM 0 HZ PHE B 1 22.541 -13.088 4.530 1.00 0.00 H new ATOM 343 N VAL B 2 27.127 -14.294 1.696 1.00 0.00 N ATOM 344 CA VAL B 2 26.754 -13.870 0.330 1.00 0.00 C ATOM 345 C VAL B 2 26.802 -12.343 0.153 1.00 0.00 C ATOM 346 O VAL B 2 26.817 -11.594 1.129 1.00 0.00 O ATOM 347 CB VAL B 2 25.361 -14.414 -0.057 1.00 0.00 C ATOM 348 CG1 VAL B 2 25.367 -15.946 -0.134 1.00 0.00 C ATOM 349 CG2 VAL B 2 24.240 -13.985 0.897 1.00 0.00 C ATOM 0 H VAL B 2 26.333 -14.637 2.237 1.00 0.00 H new ATOM 0 HA VAL B 2 27.498 -14.296 -0.343 1.00 0.00 H new ATOM 0 HB VAL B 2 25.154 -13.978 -1.034 1.00 0.00 H new ATOM 0 HG11 VAL B 2 24.373 -16.300 -0.408 1.00 0.00 H new ATOM 0 HG12 VAL B 2 26.088 -16.270 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL B 2 25.644 -16.358 0.836 1.00 0.00 H new ATOM 0 HG21 VAL B 2 23.293 -14.406 0.559 1.00 0.00 H new ATOM 0 HG22 VAL B 2 24.459 -14.346 1.902 1.00 0.00 H new ATOM 0 HG23 VAL B 2 24.169 -12.897 0.910 1.00 0.00 H new ATOM 359 N ASN B 3 26.798 -11.875 -1.099 1.00 0.00 N ATOM 360 CA ASN B 3 26.681 -10.450 -1.459 1.00 0.00 C ATOM 361 C ASN B 3 25.702 -10.255 -2.646 1.00 0.00 C ATOM 362 O ASN B 3 25.937 -9.452 -3.554 1.00 0.00 O ATOM 363 CB ASN B 3 28.094 -9.869 -1.683 1.00 0.00 C ATOM 364 CG ASN B 3 28.170 -8.363 -1.449 1.00 0.00 C ATOM 365 OD1 ASN B 3 28.765 -7.892 -0.490 1.00 0.00 O ATOM 366 ND2 ASN B 3 27.591 -7.560 -2.312 1.00 0.00 N ATOM 0 H ASN B 3 26.878 -12.486 -1.912 1.00 0.00 H new ATOM 0 HA ASN B 3 26.236 -9.881 -0.643 1.00 0.00 H new ATOM 0 HB2 ASN B 3 28.795 -10.370 -1.015 1.00 0.00 H new ATOM 0 HB3 ASN B 3 28.412 -10.088 -2.702 1.00 0.00 H new ATOM 0 HD21 ASN B 3 27.639 -6.550 -2.180 1.00 0.00 H new ATOM 0 HD22 ASN B 3 27.093 -7.947 -3.114 1.00 0.00 H new ATOM 373 N GLN B 4 24.627 -11.047 -2.676 1.00 0.00 N ATOM 374 CA GLN B 4 23.673 -11.140 -3.787 1.00 0.00 C ATOM 375 C GLN B 4 22.504 -10.150 -3.661 1.00 0.00 C ATOM 376 O GLN B 4 22.093 -9.788 -2.558 1.00 0.00 O ATOM 377 CB GLN B 4 23.184 -12.596 -3.932 1.00 0.00 C ATOM 378 CG GLN B 4 22.323 -13.074 -2.748 1.00 0.00 C ATOM 379 CD GLN B 4 21.914 -14.542 -2.818 1.00 0.00 C ATOM 380 OE1 GLN B 4 22.158 -15.269 -3.774 1.00 0.00 O ATOM 381 NE2 GLN B 4 21.265 -15.033 -1.785 1.00 0.00 N ATOM 0 H GLN B 4 24.387 -11.664 -1.900 1.00 0.00 H new ATOM 0 HA GLN B 4 24.196 -10.851 -4.699 1.00 0.00 H new ATOM 0 HB2 GLN B 4 22.606 -12.687 -4.852 1.00 0.00 H new ATOM 0 HB3 GLN B 4 24.048 -13.253 -4.032 1.00 0.00 H new ATOM 0 HG2 GLN B 4 22.874 -12.907 -1.823 1.00 0.00 H new ATOM 0 HG3 GLN B 4 21.423 -12.461 -2.698 1.00 0.00 H new ATOM 0 HE21 GLN B 4 21.056 -14.437 -0.984 1.00 0.00 H new ATOM 0 HE22 GLN B 4 20.970 -16.009 -1.785 1.00 0.00 H new ATOM 390 N HIS B 5 21.926 -9.785 -4.808 1.00 0.00 N ATOM 391 CA HIS B 5 20.718 -8.969 -4.924 1.00 0.00 C ATOM 392 C HIS B 5 19.629 -9.656 -5.753 1.00 0.00 C ATOM 393 O HIS B 5 19.900 -10.497 -6.611 1.00 0.00 O ATOM 394 CB HIS B 5 21.046 -7.608 -5.544 1.00 0.00 C ATOM 395 CG HIS B 5 21.937 -6.756 -4.688 1.00 0.00 C ATOM 396 ND1 HIS B 5 21.621 -6.131 -3.504 1.00 0.00 N ATOM 397 CD2 HIS B 5 23.236 -6.469 -4.963 1.00 0.00 C ATOM 398 CE1 HIS B 5 22.711 -5.470 -3.080 1.00 0.00 C ATOM 399 NE2 HIS B 5 23.736 -5.651 -3.939 1.00 0.00 N ATOM 0 H HIS B 5 22.302 -10.061 -5.715 1.00 0.00 H new ATOM 0 HA HIS B 5 20.334 -8.832 -3.913 1.00 0.00 H new ATOM 0 HB2 HIS B 5 21.526 -7.765 -6.510 1.00 0.00 H new ATOM 0 HB3 HIS B 5 20.117 -7.071 -5.733 1.00 0.00 H new ATOM 0 HD1 HIS B 5 20.718 -6.164 -3.031 1.00 0.00 H new ATOM 0 HD2 HIS B 5 23.790 -6.812 -5.824 1.00 0.00 H new ATOM 0 HE1 HIS B 5 22.760 -4.877 -2.179 1.00 0.00 H new ATOM 407 N LEU B 6 18.393 -9.237 -5.492 1.00 0.00 N ATOM 408 CA LEU B 6 17.145 -9.664 -6.149 1.00 0.00 C ATOM 409 C LEU B 6 16.091 -8.551 -6.043 1.00 0.00 C ATOM 410 O LEU B 6 16.017 -7.870 -5.023 1.00 0.00 O ATOM 411 CB LEU B 6 16.557 -10.923 -5.474 1.00 0.00 C ATOM 412 CG LEU B 6 17.372 -12.226 -5.555 1.00 0.00 C ATOM 413 CD1 LEU B 6 16.714 -13.277 -4.670 1.00 0.00 C ATOM 414 CD2 LEU B 6 17.423 -12.778 -6.979 1.00 0.00 C ATOM 0 H LEU B 6 18.217 -8.542 -4.767 1.00 0.00 H new ATOM 0 HA LEU B 6 17.385 -9.882 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU B 6 16.395 -10.694 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.578 -11.112 -5.913 1.00 0.00 H new ATOM 0 HG LEU B 6 18.388 -12.002 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.285 -14.204 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU B 6 16.690 -12.922 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.696 -13.458 -5.015 1.00 0.00 H new ATOM 0 HD21 LEU B 6 18.008 -13.698 -6.992 1.00 0.00 H new ATOM 0 HD22 LEU B 6 16.411 -12.987 -7.325 1.00 0.00 H new ATOM 0 HD23 LEU B 6 17.887 -12.044 -7.637 1.00 0.00 H new ATOM 426 N CYS B 7 15.233 -8.395 -7.050 1.00 0.00 N ATOM 427 CA CYS B 7 14.095 -7.468 -6.993 1.00 0.00 C ATOM 428 C CYS B 7 12.897 -7.990 -7.805 1.00 0.00 C ATOM 429 O CYS B 7 13.060 -8.855 -8.670 1.00 0.00 O ATOM 430 CB CYS B 7 14.554 -6.085 -7.475 1.00 0.00 C ATOM 431 SG CYS B 7 13.582 -4.708 -6.809 1.00 0.00 S ATOM 0 H CYS B 7 15.304 -8.906 -7.930 1.00 0.00 H new ATOM 0 HA CYS B 7 13.750 -7.387 -5.962 1.00 0.00 H new ATOM 0 HB2 CYS B 7 15.599 -5.945 -7.199 1.00 0.00 H new ATOM 0 HB3 CYS B 7 14.505 -6.057 -8.564 1.00 0.00 H new ATOM 436 N GLY B 8 11.693 -7.481 -7.525 1.00 0.00 N ATOM 437 CA GLY B 8 10.465 -7.823 -8.257 1.00 0.00 C ATOM 438 C GLY B 8 10.190 -9.328 -8.317 1.00 0.00 C ATOM 439 O GLY B 8 10.299 -10.037 -7.314 1.00 0.00 O ATOM 0 H GLY B 8 11.540 -6.810 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY B 8 9.619 -7.325 -7.784 1.00 0.00 H new ATOM 0 HA3 GLY B 8 10.536 -7.434 -9.273 1.00 0.00 H new ATOM 443 N SER B 9 9.876 -9.834 -9.509 1.00 0.00 N ATOM 444 CA SER B 9 9.562 -11.253 -9.737 1.00 0.00 C ATOM 445 C SER B 9 10.727 -12.211 -9.443 1.00 0.00 C ATOM 446 O SER B 9 10.477 -13.368 -9.102 1.00 0.00 O ATOM 447 CB SER B 9 9.050 -11.460 -11.163 1.00 0.00 C ATOM 448 OG SER B 9 9.997 -10.988 -12.108 1.00 0.00 O ATOM 0 H SER B 9 9.831 -9.268 -10.356 1.00 0.00 H new ATOM 0 HA SER B 9 8.782 -11.505 -9.019 1.00 0.00 H new ATOM 0 HB2 SER B 9 8.854 -12.518 -11.334 1.00 0.00 H new ATOM 0 HB3 SER B 9 8.104 -10.935 -11.295 1.00 0.00 H new ATOM 0 HG SER B 9 9.653 -11.130 -13.015 1.00 0.00 H new ATOM 454 N HIS B 10 11.983 -11.755 -9.477 1.00 0.00 N ATOM 455 CA HIS B 10 13.143 -12.573 -9.094 1.00 0.00 C ATOM 456 C HIS B 10 13.185 -12.820 -7.577 1.00 0.00 C ATOM 457 O HIS B 10 13.504 -13.921 -7.125 1.00 0.00 O ATOM 458 CB HIS B 10 14.446 -11.907 -9.559 1.00 0.00 C ATOM 459 CG HIS B 10 14.444 -11.440 -10.992 1.00 0.00 C ATOM 460 ND1 HIS B 10 14.197 -12.206 -12.110 1.00 0.00 N ATOM 461 CD2 HIS B 10 14.689 -10.163 -11.419 1.00 0.00 C ATOM 462 CE1 HIS B 10 14.280 -11.409 -13.190 1.00 0.00 C ATOM 463 NE2 HIS B 10 14.590 -10.150 -12.818 1.00 0.00 N ATOM 0 H HIS B 10 12.226 -10.809 -9.770 1.00 0.00 H new ATOM 0 HA HIS B 10 13.042 -13.540 -9.587 1.00 0.00 H new ATOM 0 HB2 HIS B 10 14.650 -11.052 -8.914 1.00 0.00 H new ATOM 0 HB3 HIS B 10 15.266 -12.612 -9.423 1.00 0.00 H new ATOM 0 HD2 HIS B 10 14.918 -9.315 -10.790 1.00 0.00 H new ATOM 0 HE1 HIS B 10 14.121 -11.731 -14.209 1.00 0.00 H new ATOM 0 HE2 HIS B 10 14.726 -9.347 -13.433 1.00 0.00 H new ATOM 471 N LEU B 11 12.812 -11.808 -6.784 1.00 0.00 N ATOM 472 CA LEU B 11 12.693 -11.903 -5.327 1.00 0.00 C ATOM 473 C LEU B 11 11.479 -12.753 -4.917 1.00 0.00 C ATOM 474 O LEU B 11 11.578 -13.576 -4.006 1.00 0.00 O ATOM 475 CB LEU B 11 12.669 -10.474 -4.754 1.00 0.00 C ATOM 476 CG LEU B 11 12.658 -10.433 -3.214 1.00 0.00 C ATOM 477 CD1 LEU B 11 13.628 -9.374 -2.711 1.00 0.00 C ATOM 478 CD2 LEU B 11 11.260 -10.160 -2.662 1.00 0.00 C ATOM 0 H LEU B 11 12.580 -10.883 -7.146 1.00 0.00 H new ATOM 0 HA LEU B 11 13.552 -12.425 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU B 11 13.540 -9.930 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU B 11 11.788 -9.954 -5.130 1.00 0.00 H new ATOM 0 HG LEU B 11 12.971 -11.414 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU B 11 13.612 -9.354 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU B 11 14.635 -9.610 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU B 11 13.333 -8.398 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU B 11 11.297 -10.139 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU B 11 10.904 -9.198 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU B 11 10.580 -10.948 -2.987 1.00 0.00 H new ATOM 490 N VAL B 12 10.363 -12.615 -5.640 1.00 0.00 N ATOM 491 CA VAL B 12 9.179 -13.481 -5.494 1.00 0.00 C ATOM 492 C VAL B 12 9.515 -14.942 -5.814 1.00 0.00 C ATOM 493 O VAL B 12 9.162 -15.821 -5.038 1.00 0.00 O ATOM 494 CB VAL B 12 8.014 -12.988 -6.374 1.00 0.00 C ATOM 495 CG1 VAL B 12 6.817 -13.944 -6.402 1.00 0.00 C ATOM 496 CG2 VAL B 12 7.502 -11.630 -5.867 1.00 0.00 C ATOM 0 H VAL B 12 10.251 -11.893 -6.351 1.00 0.00 H new ATOM 0 HA VAL B 12 8.863 -13.427 -4.452 1.00 0.00 H new ATOM 0 HB VAL B 12 8.423 -12.919 -7.382 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.036 -13.531 -7.041 1.00 0.00 H new ATOM 0 HG12 VAL B 12 7.133 -14.911 -6.794 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.429 -14.071 -5.391 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.679 -11.293 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.153 -11.733 -4.839 1.00 0.00 H new ATOM 0 HG23 VAL B 12 8.310 -10.900 -5.904 1.00 0.00 H new ATOM 506 N GLU B 13 10.238 -15.225 -6.903 1.00 0.00 N ATOM 507 CA GLU B 13 10.642 -16.593 -7.262 1.00 0.00 C ATOM 508 C GLU B 13 11.580 -17.212 -6.211 1.00 0.00 C ATOM 509 O GLU B 13 11.393 -18.369 -5.832 1.00 0.00 O ATOM 510 CB GLU B 13 11.278 -16.592 -8.663 1.00 0.00 C ATOM 511 CG GLU B 13 11.613 -18.007 -9.154 1.00 0.00 C ATOM 512 CD GLU B 13 12.132 -17.989 -10.605 1.00 0.00 C ATOM 513 OE1 GLU B 13 13.364 -17.858 -10.811 1.00 0.00 O ATOM 514 OE2 GLU B 13 11.315 -18.121 -11.549 1.00 0.00 O ATOM 0 H GLU B 13 10.560 -14.515 -7.561 1.00 0.00 H new ATOM 0 HA GLU B 13 9.752 -17.222 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.596 -16.117 -9.368 1.00 0.00 H new ATOM 0 HB3 GLU B 13 12.187 -15.991 -8.646 1.00 0.00 H new ATOM 0 HG2 GLU B 13 12.365 -18.452 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU B 13 10.725 -18.636 -9.091 1.00 0.00 H new ATOM 521 N ALA B 14 12.534 -16.443 -5.675 1.00 0.00 N ATOM 522 CA ALA B 14 13.378 -16.905 -4.575 1.00 0.00 C ATOM 523 C ALA B 14 12.552 -17.240 -3.320 1.00 0.00 C ATOM 524 O ALA B 14 12.733 -18.310 -2.747 1.00 0.00 O ATOM 525 CB ALA B 14 14.446 -15.850 -4.290 1.00 0.00 C ATOM 0 H ALA B 14 12.739 -15.494 -5.989 1.00 0.00 H new ATOM 0 HA ALA B 14 13.867 -17.834 -4.868 1.00 0.00 H new ATOM 0 HB1 ALA B 14 15.080 -16.187 -3.470 1.00 0.00 H new ATOM 0 HB2 ALA B 14 15.055 -15.699 -5.181 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.966 -14.911 -4.015 1.00 0.00 H new ATOM 531 N LEU B 15 11.596 -16.387 -2.934 1.00 0.00 N ATOM 532 CA LEU B 15 10.679 -16.638 -1.814 1.00 0.00 C ATOM 533 C LEU B 15 9.819 -17.901 -2.033 1.00 0.00 C ATOM 534 O LEU B 15 9.664 -18.716 -1.125 1.00 0.00 O ATOM 535 CB LEU B 15 9.820 -15.374 -1.618 1.00 0.00 C ATOM 536 CG LEU B 15 8.847 -15.389 -0.429 1.00 0.00 C ATOM 537 CD1 LEU B 15 9.515 -15.776 0.884 1.00 0.00 C ATOM 538 CD2 LEU B 15 8.242 -13.995 -0.273 1.00 0.00 C ATOM 0 H LEU B 15 11.435 -15.492 -3.396 1.00 0.00 H new ATOM 0 HA LEU B 15 11.251 -16.840 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU B 15 10.488 -14.521 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU B 15 9.245 -15.207 -2.529 1.00 0.00 H new ATOM 0 HG LEU B 15 8.087 -16.140 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU B 15 8.775 -15.768 1.685 1.00 0.00 H new ATOM 0 HD12 LEU B 15 9.942 -16.775 0.794 1.00 0.00 H new ATOM 0 HD13 LEU B 15 10.306 -15.062 1.114 1.00 0.00 H new ATOM 0 HD21 LEU B 15 7.549 -13.991 0.568 1.00 0.00 H new ATOM 0 HD22 LEU B 15 9.037 -13.272 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.708 -13.726 -1.184 1.00 0.00 H new ATOM 550 N TYR B 16 9.326 -18.096 -3.257 1.00 0.00 N ATOM 551 CA TYR B 16 8.526 -19.250 -3.683 1.00 0.00 C ATOM 552 C TYR B 16 9.308 -20.567 -3.526 1.00 0.00 C ATOM 553 O TYR B 16 8.792 -21.531 -2.950 1.00 0.00 O ATOM 554 CB TYR B 16 8.096 -19.016 -5.147 1.00 0.00 C ATOM 555 CG TYR B 16 6.844 -19.725 -5.631 1.00 0.00 C ATOM 556 CD1 TYR B 16 6.750 -21.130 -5.623 1.00 0.00 C ATOM 557 CD2 TYR B 16 5.786 -18.961 -6.165 1.00 0.00 C ATOM 558 CE1 TYR B 16 5.595 -21.766 -6.115 1.00 0.00 C ATOM 559 CE2 TYR B 16 4.628 -19.593 -6.658 1.00 0.00 C ATOM 560 CZ TYR B 16 4.526 -21.000 -6.629 1.00 0.00 C ATOM 561 OH TYR B 16 3.406 -21.603 -7.110 1.00 0.00 O ATOM 0 H TYR B 16 9.479 -17.427 -4.012 1.00 0.00 H new ATOM 0 HA TYR B 16 7.644 -19.344 -3.050 1.00 0.00 H new ATOM 0 HB2 TYR B 16 7.952 -17.945 -5.288 1.00 0.00 H new ATOM 0 HB3 TYR B 16 8.922 -19.314 -5.792 1.00 0.00 H new ATOM 0 HD1 TYR B 16 7.567 -21.722 -5.238 1.00 0.00 H new ATOM 0 HD2 TYR B 16 5.864 -17.884 -6.196 1.00 0.00 H new ATOM 0 HE1 TYR B 16 5.526 -22.844 -6.099 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.818 -19.001 -7.058 1.00 0.00 H new ATOM 0 HH TYR B 16 3.395 -22.543 -6.832 1.00 0.00 H new ATOM 571 N LEU B 17 10.562 -20.600 -3.994 1.00 0.00 N ATOM 572 CA LEU B 17 11.418 -21.791 -3.997 1.00 0.00 C ATOM 573 C LEU B 17 12.112 -22.049 -2.648 1.00 0.00 C ATOM 574 O LEU B 17 12.306 -23.211 -2.284 1.00 0.00 O ATOM 575 CB LEU B 17 12.449 -21.680 -5.143 1.00 0.00 C ATOM 576 CG LEU B 17 12.008 -22.206 -6.529 1.00 0.00 C ATOM 577 CD1 LEU B 17 11.844 -23.728 -6.525 1.00 0.00 C ATOM 578 CD2 LEU B 17 10.707 -21.596 -7.056 1.00 0.00 C ATOM 0 H LEU B 17 11.020 -19.779 -4.390 1.00 0.00 H new ATOM 0 HA LEU B 17 10.774 -22.654 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU B 17 12.727 -20.631 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.348 -22.219 -4.845 1.00 0.00 H new ATOM 0 HG LEU B 17 12.815 -21.899 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU B 17 11.533 -24.063 -7.515 1.00 0.00 H new ATOM 0 HD12 LEU B 17 12.794 -24.196 -6.265 1.00 0.00 H new ATOM 0 HD13 LEU B 17 11.088 -24.011 -5.792 1.00 0.00 H new ATOM 0 HD21 LEU B 17 10.475 -22.022 -8.032 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.895 -21.814 -6.362 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.823 -20.516 -7.150 1.00 0.00 H new ATOM 590 N VAL B 18 12.447 -21.005 -1.880 1.00 0.00 N ATOM 591 CA VAL B 18 13.017 -21.143 -0.523 1.00 0.00 C ATOM 592 C VAL B 18 11.999 -21.777 0.428 1.00 0.00 C ATOM 593 O VAL B 18 12.338 -22.715 1.152 1.00 0.00 O ATOM 594 CB VAL B 18 13.530 -19.787 0.017 1.00 0.00 C ATOM 595 CG1 VAL B 18 13.751 -19.787 1.531 1.00 0.00 C ATOM 596 CG2 VAL B 18 14.875 -19.445 -0.639 1.00 0.00 C ATOM 0 H VAL B 18 12.332 -20.036 -2.178 1.00 0.00 H new ATOM 0 HA VAL B 18 13.878 -21.808 -0.586 1.00 0.00 H new ATOM 0 HB VAL B 18 12.758 -19.055 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL B 18 14.111 -18.808 1.846 1.00 0.00 H new ATOM 0 HG12 VAL B 18 12.811 -20.008 2.036 1.00 0.00 H new ATOM 0 HG13 VAL B 18 14.489 -20.545 1.791 1.00 0.00 H new ATOM 0 HG21 VAL B 18 15.234 -18.489 -0.257 1.00 0.00 H new ATOM 0 HG22 VAL B 18 15.601 -20.224 -0.408 1.00 0.00 H new ATOM 0 HG23 VAL B 18 14.746 -19.378 -1.719 1.00 0.00 H new ATOM 606 N CYS B 19 10.749 -21.304 0.410 1.00 0.00 N ATOM 607 CA CYS B 19 9.700 -21.825 1.290 1.00 0.00 C ATOM 608 C CYS B 19 8.995 -23.077 0.734 1.00 0.00 C ATOM 609 O CYS B 19 8.485 -23.891 1.506 1.00 0.00 O ATOM 610 CB CYS B 19 8.737 -20.686 1.619 1.00 0.00 C ATOM 611 SG CYS B 19 9.561 -19.297 2.452 1.00 0.00 S ATOM 0 H CYS B 19 10.438 -20.556 -0.210 1.00 0.00 H new ATOM 0 HA CYS B 19 10.160 -22.182 2.212 1.00 0.00 H new ATOM 0 HB2 CYS B 19 8.273 -20.330 0.699 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.936 -21.064 2.255 1.00 0.00 H new ATOM 616 N GLY B 20 9.003 -23.272 -0.585 1.00 0.00 N ATOM 617 CA GLY B 20 8.495 -24.473 -1.254 1.00 0.00 C ATOM 618 C GLY B 20 6.973 -24.475 -1.390 1.00 0.00 C ATOM 619 O GLY B 20 6.311 -25.415 -0.951 1.00 0.00 O ATOM 0 H GLY B 20 9.373 -22.580 -1.237 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.944 -24.549 -2.244 1.00 0.00 H new ATOM 0 HA3 GLY B 20 8.807 -25.355 -0.694 1.00 0.00 H new ATOM 623 N GLU B 21 6.416 -23.402 -1.966 1.00 0.00 N ATOM 624 CA GLU B 21 4.970 -23.216 -2.205 1.00 0.00 C ATOM 625 C GLU B 21 4.110 -23.248 -0.912 1.00 0.00 C ATOM 626 O GLU B 21 2.955 -23.683 -0.903 1.00 0.00 O ATOM 627 CB GLU B 21 4.501 -24.171 -3.327 1.00 0.00 C ATOM 628 CG GLU B 21 3.224 -23.715 -4.048 1.00 0.00 C ATOM 629 CD GLU B 21 2.915 -24.636 -5.246 1.00 0.00 C ATOM 630 OE1 GLU B 21 2.300 -25.716 -5.053 1.00 0.00 O ATOM 631 OE2 GLU B 21 3.276 -24.284 -6.396 1.00 0.00 O ATOM 0 H GLU B 21 6.973 -22.611 -2.291 1.00 0.00 H new ATOM 0 HA GLU B 21 4.808 -22.199 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU B 21 5.302 -24.274 -4.060 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.331 -25.159 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.385 -23.722 -3.352 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.343 -22.688 -4.394 1.00 0.00 H new ATOM 638 N ARG B 22 4.680 -22.783 0.213 1.00 0.00 N ATOM 639 CA ARG B 22 4.033 -22.759 1.544 1.00 0.00 C ATOM 640 C ARG B 22 2.906 -21.721 1.686 1.00 0.00 C ATOM 641 O ARG B 22 2.078 -21.832 2.594 1.00 0.00 O ATOM 642 CB ARG B 22 5.126 -22.488 2.599 1.00 0.00 C ATOM 643 CG ARG B 22 4.907 -23.259 3.912 1.00 0.00 C ATOM 644 CD ARG B 22 5.311 -24.737 3.823 1.00 0.00 C ATOM 645 NE ARG B 22 6.761 -24.883 3.607 1.00 0.00 N ATOM 646 CZ ARG B 22 7.713 -24.990 4.517 1.00 0.00 C ATOM 647 NH1 ARG B 22 7.484 -25.009 5.798 1.00 0.00 N ATOM 648 NH2 ARG B 22 8.954 -25.061 4.127 1.00 0.00 N ATOM 0 H ARG B 22 5.627 -22.403 0.226 1.00 0.00 H new ATOM 0 HA ARG B 22 3.553 -23.727 1.687 1.00 0.00 H new ATOM 0 HB2 ARG B 22 6.097 -22.759 2.184 1.00 0.00 H new ATOM 0 HB3 ARG B 22 5.158 -21.420 2.814 1.00 0.00 H new ATOM 0 HG2 ARG B 22 5.480 -22.780 4.706 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.856 -23.193 4.193 1.00 0.00 H new ATOM 0 HD2 ARG B 22 5.024 -25.251 4.741 1.00 0.00 H new ATOM 0 HD3 ARG B 22 4.769 -25.216 3.007 1.00 0.00 H new ATOM 0 HE ARG B 22 7.068 -24.904 2.635 1.00 0.00 H new ATOM 0 HH11 ARG B 22 6.528 -24.939 6.146 1.00 0.00 H new ATOM 0 HH12 ARG B 22 8.261 -25.094 6.454 1.00 0.00 H new ATOM 0 HH21 ARG B 22 9.178 -25.034 3.132 1.00 0.00 H new ATOM 0 HH22 ARG B 22 9.701 -25.144 4.816 1.00 0.00 H new ATOM 662 N GLY B 23 2.901 -20.716 0.812 1.00 0.00 N ATOM 663 CA GLY B 23 2.093 -19.495 0.910 1.00 0.00 C ATOM 664 C GLY B 23 2.902 -18.371 1.571 1.00 0.00 C ATOM 665 O GLY B 23 3.620 -18.603 2.547 1.00 0.00 O ATOM 0 H GLY B 23 3.486 -20.728 -0.023 1.00 0.00 H new ATOM 0 HA2 GLY B 23 1.770 -19.184 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.192 -19.693 1.490 1.00 0.00 H new ATOM 669 N PHE B 24 2.846 -17.160 1.012 1.00 0.00 N ATOM 670 CA PHE B 24 3.675 -16.023 1.434 1.00 0.00 C ATOM 671 C PHE B 24 3.069 -14.661 1.050 1.00 0.00 C ATOM 672 O PHE B 24 2.137 -14.584 0.244 1.00 0.00 O ATOM 673 CB PHE B 24 5.086 -16.181 0.831 1.00 0.00 C ATOM 674 CG PHE B 24 5.155 -16.209 -0.683 1.00 0.00 C ATOM 675 CD1 PHE B 24 5.216 -15.006 -1.410 1.00 0.00 C ATOM 676 CD2 PHE B 24 5.182 -17.439 -1.371 1.00 0.00 C ATOM 677 CE1 PHE B 24 5.313 -15.028 -2.811 1.00 0.00 C ATOM 678 CE2 PHE B 24 5.264 -17.463 -2.776 1.00 0.00 C ATOM 679 CZ PHE B 24 5.331 -16.255 -3.494 1.00 0.00 C ATOM 0 H PHE B 24 2.215 -16.936 0.242 1.00 0.00 H new ATOM 0 HA PHE B 24 3.726 -16.033 2.523 1.00 0.00 H new ATOM 0 HB2 PHE B 24 5.708 -15.361 1.189 1.00 0.00 H new ATOM 0 HB3 PHE B 24 5.523 -17.103 1.213 1.00 0.00 H new ATOM 0 HD1 PHE B 24 5.188 -14.061 -0.888 1.00 0.00 H new ATOM 0 HD2 PHE B 24 5.140 -18.366 -0.818 1.00 0.00 H new ATOM 0 HE1 PHE B 24 5.374 -14.102 -3.363 1.00 0.00 H new ATOM 0 HE2 PHE B 24 5.275 -18.406 -3.302 1.00 0.00 H new ATOM 0 HZ PHE B 24 5.396 -16.271 -4.572 1.00 0.00 H new ATOM 689 N PHE B 25 3.632 -13.585 1.605 1.00 0.00 N ATOM 690 CA PHE B 25 3.301 -12.193 1.283 1.00 0.00 C ATOM 691 C PHE B 25 4.552 -11.438 0.801 1.00 0.00 C ATOM 692 O PHE B 25 5.628 -11.583 1.384 1.00 0.00 O ATOM 693 CB PHE B 25 2.660 -11.536 2.511 1.00 0.00 C ATOM 694 CG PHE B 25 2.244 -10.096 2.289 1.00 0.00 C ATOM 695 CD1 PHE B 25 1.086 -9.800 1.546 1.00 0.00 C ATOM 696 CD2 PHE B 25 3.021 -9.049 2.817 1.00 0.00 C ATOM 697 CE1 PHE B 25 0.698 -8.464 1.342 1.00 0.00 C ATOM 698 CE2 PHE B 25 2.628 -7.714 2.622 1.00 0.00 C ATOM 699 CZ PHE B 25 1.467 -7.421 1.887 1.00 0.00 C ATOM 0 H PHE B 25 4.358 -13.661 2.317 1.00 0.00 H new ATOM 0 HA PHE B 25 2.582 -12.158 0.464 1.00 0.00 H new ATOM 0 HB2 PHE B 25 1.785 -12.115 2.806 1.00 0.00 H new ATOM 0 HB3 PHE B 25 3.364 -11.577 3.342 1.00 0.00 H new ATOM 0 HD1 PHE B 25 0.493 -10.602 1.131 1.00 0.00 H new ATOM 0 HD2 PHE B 25 3.920 -9.271 3.373 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -0.189 -8.240 0.768 1.00 0.00 H new ATOM 0 HE2 PHE B 25 3.219 -6.912 3.038 1.00 0.00 H new ATOM 0 HZ PHE B 25 1.165 -6.394 1.741 1.00 0.00 H new ATOM 709 N TYR B 26 4.423 -10.653 -0.277 1.00 0.00 N ATOM 710 CA TYR B 26 5.556 -10.050 -0.990 1.00 0.00 C ATOM 711 C TYR B 26 5.401 -8.556 -1.343 1.00 0.00 C ATOM 712 O TYR B 26 6.315 -7.969 -1.926 1.00 0.00 O ATOM 713 CB TYR B 26 5.830 -10.897 -2.242 1.00 0.00 C ATOM 714 CG TYR B 26 4.728 -10.875 -3.289 1.00 0.00 C ATOM 715 CD1 TYR B 26 3.675 -11.810 -3.232 1.00 0.00 C ATOM 716 CD2 TYR B 26 4.759 -9.919 -4.325 1.00 0.00 C ATOM 717 CE1 TYR B 26 2.665 -11.801 -4.216 1.00 0.00 C ATOM 718 CE2 TYR B 26 3.751 -9.903 -5.307 1.00 0.00 C ATOM 719 CZ TYR B 26 2.702 -10.846 -5.258 1.00 0.00 C ATOM 720 OH TYR B 26 1.737 -10.836 -6.220 1.00 0.00 O ATOM 0 H TYR B 26 3.518 -10.416 -0.683 1.00 0.00 H new ATOM 0 HA TYR B 26 6.405 -10.058 -0.307 1.00 0.00 H new ATOM 0 HB2 TYR B 26 6.754 -10.548 -2.702 1.00 0.00 H new ATOM 0 HB3 TYR B 26 5.997 -11.929 -1.934 1.00 0.00 H new ATOM 0 HD1 TYR B 26 3.642 -12.535 -2.433 1.00 0.00 H new ATOM 0 HD2 TYR B 26 5.560 -9.196 -4.365 1.00 0.00 H new ATOM 0 HE1 TYR B 26 1.863 -12.523 -4.174 1.00 0.00 H new ATOM 0 HE2 TYR B 26 3.780 -9.169 -6.098 1.00 0.00 H new ATOM 0 HH TYR B 26 1.917 -10.113 -6.857 1.00 0.00 H new ATOM 730 N THR B 27 4.274 -7.920 -1.009 1.00 0.00 N ATOM 731 CA THR B 27 3.991 -6.523 -1.391 1.00 0.00 C ATOM 732 C THR B 27 4.597 -5.540 -0.376 1.00 0.00 C ATOM 733 O THR B 27 4.290 -5.649 0.815 1.00 0.00 O ATOM 734 CB THR B 27 2.479 -6.284 -1.533 1.00 0.00 C ATOM 735 OG1 THR B 27 1.910 -7.266 -2.382 1.00 0.00 O ATOM 736 CG2 THR B 27 2.158 -4.918 -2.147 1.00 0.00 C ATOM 0 H THR B 27 3.528 -8.355 -0.466 1.00 0.00 H new ATOM 0 HA THR B 27 4.457 -6.345 -2.360 1.00 0.00 H new ATOM 0 HB THR B 27 2.066 -6.332 -0.526 1.00 0.00 H new ATOM 0 HG1 THR B 27 0.947 -7.108 -2.466 1.00 0.00 H new ATOM 0 HG21 THR B 27 1.077 -4.799 -2.225 1.00 0.00 H new ATOM 0 HG22 THR B 27 2.565 -4.130 -1.514 1.00 0.00 H new ATOM 0 HG23 THR B 27 2.603 -4.852 -3.140 1.00 0.00 H new ATOM 744 N PRO B 28 5.432 -4.564 -0.786 1.00 0.00 N ATOM 745 CA PRO B 28 6.013 -3.576 0.127 1.00 0.00 C ATOM 746 C PRO B 28 4.991 -2.527 0.596 1.00 0.00 C ATOM 747 O PRO B 28 4.055 -2.175 -0.128 1.00 0.00 O ATOM 748 CB PRO B 28 7.168 -2.936 -0.650 1.00 0.00 C ATOM 749 CG PRO B 28 6.699 -3.024 -2.101 1.00 0.00 C ATOM 750 CD PRO B 28 5.939 -4.350 -2.138 1.00 0.00 C ATOM 0 HA PRO B 28 6.355 -4.050 1.047 1.00 0.00 H new ATOM 0 HB2 PRO B 28 7.338 -1.904 -0.343 1.00 0.00 H new ATOM 0 HB3 PRO B 28 8.104 -3.473 -0.496 1.00 0.00 H new ATOM 0 HG2 PRO B 28 6.058 -2.184 -2.369 1.00 0.00 H new ATOM 0 HG3 PRO B 28 7.538 -3.020 -2.797 1.00 0.00 H new ATOM 0 HD2 PRO B 28 5.122 -4.311 -2.859 1.00 0.00 H new ATOM 0 HD3 PRO B 28 6.594 -5.166 -2.442 1.00 0.00 H new ATOM 758 N LYS B 29 5.217 -1.951 1.786 1.00 0.00 N ATOM 759 CA LYS B 29 4.411 -0.863 2.384 1.00 0.00 C ATOM 760 C LYS B 29 4.788 0.518 1.815 1.00 0.00 C ATOM 761 O LYS B 29 5.090 1.460 2.549 1.00 0.00 O ATOM 762 CB LYS B 29 4.481 -0.935 3.925 1.00 0.00 C ATOM 763 CG LYS B 29 3.868 -2.233 4.475 1.00 0.00 C ATOM 764 CD LYS B 29 3.908 -2.239 6.010 1.00 0.00 C ATOM 765 CE LYS B 29 3.329 -3.530 6.606 1.00 0.00 C ATOM 766 NZ LYS B 29 1.853 -3.618 6.451 1.00 0.00 N ATOM 0 H LYS B 29 5.992 -2.236 2.384 1.00 0.00 H new ATOM 0 HA LYS B 29 3.368 -1.007 2.103 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.521 -0.863 4.243 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.957 -0.079 4.351 1.00 0.00 H new ATOM 0 HG2 LYS B 29 2.838 -2.329 4.132 1.00 0.00 H new ATOM 0 HG3 LYS B 29 4.415 -3.093 4.088 1.00 0.00 H new ATOM 0 HD2 LYS B 29 4.938 -2.118 6.344 1.00 0.00 H new ATOM 0 HD3 LYS B 29 3.348 -1.384 6.389 1.00 0.00 H new ATOM 0 HE2 LYS B 29 3.793 -4.389 6.123 1.00 0.00 H new ATOM 0 HE3 LYS B 29 3.584 -3.584 7.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 1.512 -4.507 6.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 1.405 -2.814 6.934 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 1.608 -3.595 5.441 1.00 0.00 H new ATOM 780 N THR B 30 4.828 0.613 0.485 1.00 0.00 N ATOM 781 CA THR B 30 5.205 1.816 -0.278 1.00 0.00 C ATOM 782 C THR B 30 4.054 2.819 -0.422 1.00 0.00 C ATOM 783 O THR B 30 2.882 2.463 -0.249 1.00 0.00 O ATOM 784 CB THR B 30 5.825 1.418 -1.629 1.00 0.00 C ATOM 785 OG1 THR B 30 6.464 2.535 -2.210 1.00 0.00 O ATOM 786 CG2 THR B 30 4.819 0.864 -2.641 1.00 0.00 C ATOM 0 H THR B 30 4.590 -0.174 -0.119 1.00 0.00 H new ATOM 0 HA THR B 30 5.966 2.347 0.294 1.00 0.00 H new ATOM 0 HB THR B 30 6.531 0.619 -1.403 1.00 0.00 H new ATOM 0 HG1 THR B 30 6.859 2.276 -3.069 1.00 0.00 H new ATOM 0 HG21 THR B 30 5.336 0.608 -3.566 1.00 0.00 H new ATOM 0 HG22 THR B 30 4.345 -0.028 -2.232 1.00 0.00 H new ATOM 0 HG23 THR B 30 4.058 1.617 -2.848 1.00 0.00 H new ATOM 794 N LYS B 31 4.398 4.071 -0.761 1.00 0.00 N ATOM 795 CA LYS B 31 3.490 5.222 -0.957 1.00 0.00 C ATOM 796 C LYS B 31 2.622 5.565 0.276 1.00 0.00 C ATOM 797 O LYS B 31 2.817 5.013 1.364 1.00 0.00 O ATOM 798 CB LYS B 31 2.686 5.004 -2.257 1.00 0.00 C ATOM 799 CG LYS B 31 3.579 4.949 -3.509 1.00 0.00 C ATOM 800 CD LYS B 31 2.739 4.786 -4.782 1.00 0.00 C ATOM 801 CE LYS B 31 3.653 4.764 -6.010 1.00 0.00 C ATOM 802 NZ LYS B 31 2.879 4.622 -7.271 1.00 0.00 N ATOM 0 H LYS B 31 5.373 4.327 -0.916 1.00 0.00 H new ATOM 0 HA LYS B 31 4.094 6.122 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS B 31 2.121 4.075 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS B 31 1.960 5.809 -2.369 1.00 0.00 H new ATOM 0 HG2 LYS B 31 4.173 5.861 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS B 31 4.279 4.118 -3.423 1.00 0.00 H new ATOM 0 HD2 LYS B 31 2.161 3.863 -4.731 1.00 0.00 H new ATOM 0 HD3 LYS B 31 2.025 5.605 -4.864 1.00 0.00 H new ATOM 0 HE2 LYS B 31 4.238 5.683 -6.044 1.00 0.00 H new ATOM 0 HE3 LYS B 31 4.360 3.939 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 3.532 4.611 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 2.340 3.733 -7.249 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 2.222 5.423 -7.367 1.00 0.00 H new ATOM 816 N ARG B 32 1.705 6.531 0.118 1.00 0.00 N ATOM 817 CA ARG B 32 0.803 7.077 1.152 1.00 0.00 C ATOM 818 C ARG B 32 -0.643 7.175 0.642 1.00 0.00 C ATOM 819 O ARG B 32 -1.551 6.674 1.341 1.00 0.00 O ATOM 820 CB ARG B 32 1.352 8.437 1.625 1.00 0.00 C ATOM 821 CG ARG B 32 0.549 9.039 2.793 1.00 0.00 C ATOM 822 CD ARG B 32 1.156 10.373 3.251 1.00 0.00 C ATOM 823 NE ARG B 32 0.382 10.973 4.356 1.00 0.00 N ATOM 824 CZ ARG B 32 0.621 12.128 4.947 1.00 0.00 C ATOM 825 NH1 ARG B 32 1.617 12.892 4.598 1.00 0.00 N ATOM 826 NH2 ARG B 32 -0.144 12.545 5.915 1.00 0.00 N ATOM 827 OXT ARG B 32 -0.858 7.731 -0.459 1.00 0.00 O ATOM 0 H ARG B 32 1.562 6.981 -0.786 1.00 0.00 H new ATOM 0 HA ARG B 32 0.773 6.399 2.005 1.00 0.00 H new ATOM 0 HB2 ARG B 32 2.391 8.316 1.931 1.00 0.00 H new ATOM 0 HB3 ARG B 32 1.345 9.136 0.789 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -0.486 9.193 2.486 1.00 0.00 H new ATOM 0 HG3 ARG B 32 0.533 8.338 3.627 1.00 0.00 H new ATOM 0 HD2 ARG B 32 2.185 10.214 3.572 1.00 0.00 H new ATOM 0 HD3 ARG B 32 1.188 11.066 2.410 1.00 0.00 H new ATOM 0 HE ARG B 32 -0.418 10.441 4.697 1.00 0.00 H new ATOM 0 HH11 ARG B 32 2.242 12.603 3.845 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.772 13.779 5.077 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -0.934 11.977 6.221 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.047 13.439 6.367 1.00 0.00 H new TER 841 ARG B 32