USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 370 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 1 GLY N :NH3+ -151:sc= 1.06 (180deg=-0.146) USER MOD Set 1.2: A 19 TYR OH : rot 180:sc= -0.193 USER MOD Set 1.3: B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.0282 X(o=-0.028,f=0) USER MOD Single : A 9 SER OG : rot 41:sc= 1.18 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 :FLIP amide:sc= 0.0528 F(o=-1.3!,f=0.053) USER MOD Single : A 18 ASN : amide:sc= 0.45 X(o=0.45,f=-0.021) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.164 F(o=-2!,f=-0.16) USER MOD Single : B 1 PHE N :NH3+ -114:sc= 1.88 (180deg=-0.109) USER MOD Single : B 3 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.4!) USER MOD Single : B 4 GLN : amide:sc= 0.522 K(o=0.52,f=-4!) USER MOD Single : B 5 HIS : no HD1:sc= 0.792 K(o=0.79,f=-3.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0.0123 K(o=0.012,f=-1.1!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 30:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -140:sc= 0.419 (180deg=-0.376) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.145 26.262 -11.987 1.00 0.00 N ATOM 2 CA GLY A 1 -23.833 25.967 -10.720 1.00 0.00 C ATOM 3 C GLY A 1 -24.468 24.601 -10.822 1.00 0.00 C ATOM 4 O GLY A 1 -25.605 24.519 -11.257 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.340 26.895 -11.806 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.801 25.376 -12.410 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.807 26.724 -12.642 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.126 25.994 -9.891 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.592 26.723 -10.517 1.00 0.00 H new ATOM 10 N ILE A 2 -23.752 23.537 -10.440 1.00 0.00 N ATOM 11 CA ILE A 2 -23.875 22.175 -11.021 1.00 0.00 C ATOM 12 C ILE A 2 -25.250 21.477 -10.922 1.00 0.00 C ATOM 13 O ILE A 2 -25.461 20.435 -11.542 1.00 0.00 O ATOM 14 CB ILE A 2 -22.726 21.313 -10.456 1.00 0.00 C ATOM 15 CG1 ILE A 2 -22.354 20.125 -11.367 1.00 0.00 C ATOM 16 CG2 ILE A 2 -23.041 20.847 -9.029 1.00 0.00 C ATOM 17 CD1 ILE A 2 -20.980 19.516 -11.053 1.00 0.00 C ATOM 0 H ILE A 2 -23.051 23.590 -9.701 1.00 0.00 H new ATOM 0 HA ILE A 2 -23.793 22.298 -12.101 1.00 0.00 H new ATOM 0 HB ILE A 2 -21.845 21.954 -10.423 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -23.116 19.351 -11.270 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -22.366 20.456 -12.405 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -22.216 20.241 -8.654 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -23.177 21.715 -8.384 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -23.955 20.253 -9.034 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -20.786 18.686 -11.733 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -20.208 20.276 -11.178 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -20.969 19.153 -10.025 1.00 0.00 H new ATOM 29 N VAL A 3 -26.215 22.073 -10.214 1.00 0.00 N ATOM 30 CA VAL A 3 -27.633 21.690 -10.280 1.00 0.00 C ATOM 31 C VAL A 3 -28.152 21.673 -11.730 1.00 0.00 C ATOM 32 O VAL A 3 -29.058 20.905 -12.035 1.00 0.00 O ATOM 33 CB VAL A 3 -28.473 22.594 -9.348 1.00 0.00 C ATOM 34 CG1 VAL A 3 -28.652 24.038 -9.837 1.00 0.00 C ATOM 35 CG2 VAL A 3 -29.863 21.993 -9.117 1.00 0.00 C ATOM 0 H VAL A 3 -26.033 22.844 -9.571 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.736 20.667 -9.919 1.00 0.00 H new ATOM 0 HB VAL A 3 -27.896 22.637 -8.424 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -29.254 24.594 -9.118 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -27.676 24.512 -9.936 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -29.154 24.035 -10.805 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -30.437 22.645 -8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -30.380 21.895 -10.071 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -29.763 21.010 -8.656 1.00 0.00 H new ATOM 45 N GLU A 4 -27.510 22.403 -12.652 1.00 0.00 N ATOM 46 CA GLU A 4 -27.717 22.271 -14.102 1.00 0.00 C ATOM 47 C GLU A 4 -27.603 20.805 -14.600 1.00 0.00 C ATOM 48 O GLU A 4 -28.417 20.364 -15.411 1.00 0.00 O ATOM 49 CB GLU A 4 -26.784 23.259 -14.849 1.00 0.00 C ATOM 50 CG GLU A 4 -25.257 23.097 -14.616 1.00 0.00 C ATOM 51 CD GLU A 4 -24.469 24.325 -14.085 1.00 0.00 C ATOM 52 OE1 GLU A 4 -23.332 24.149 -13.597 1.00 0.00 O ATOM 53 OE2 GLU A 4 -24.964 25.477 -14.025 1.00 0.00 O ATOM 0 H GLU A 4 -26.821 23.114 -12.408 1.00 0.00 H new ATOM 0 HA GLU A 4 -28.746 22.545 -14.333 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -26.976 23.164 -15.918 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -27.065 24.273 -14.563 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -25.111 22.277 -13.913 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -24.805 22.792 -15.560 1.00 0.00 H new ATOM 60 N GLN A 5 -26.714 19.977 -14.037 1.00 0.00 N ATOM 61 CA GLN A 5 -26.623 18.537 -14.346 1.00 0.00 C ATOM 62 C GLN A 5 -27.820 17.710 -13.830 1.00 0.00 C ATOM 63 O GLN A 5 -28.106 16.635 -14.358 1.00 0.00 O ATOM 64 CB GLN A 5 -25.309 17.953 -13.788 1.00 0.00 C ATOM 65 CG GLN A 5 -24.034 18.726 -14.177 1.00 0.00 C ATOM 66 CD GLN A 5 -23.809 18.922 -15.674 1.00 0.00 C ATOM 67 OE1 GLN A 5 -23.294 19.929 -16.118 1.00 0.00 O ATOM 68 NE2 GLN A 5 -24.186 17.997 -16.529 1.00 0.00 N ATOM 0 H GLN A 5 -26.029 20.287 -13.347 1.00 0.00 H new ATOM 0 HA GLN A 5 -26.641 18.463 -15.433 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -25.377 17.919 -12.701 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -25.211 16.924 -14.134 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -24.067 19.706 -13.702 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -23.173 18.200 -13.765 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -24.622 17.138 -16.192 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -24.043 18.138 -17.529 1.00 0.00 H new ATOM 77 N CYS A 6 -28.546 18.207 -12.828 1.00 0.00 N ATOM 78 CA CYS A 6 -29.816 17.645 -12.356 1.00 0.00 C ATOM 79 C CYS A 6 -31.036 18.174 -13.134 1.00 0.00 C ATOM 80 O CYS A 6 -32.152 17.720 -12.897 1.00 0.00 O ATOM 81 CB CYS A 6 -29.956 17.946 -10.863 1.00 0.00 C ATOM 82 SG CYS A 6 -28.573 17.399 -9.821 1.00 0.00 S ATOM 0 H CYS A 6 -28.260 19.035 -12.306 1.00 0.00 H new ATOM 0 HA CYS A 6 -29.795 16.569 -12.530 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -30.079 19.022 -10.737 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -30.870 17.476 -10.500 1.00 0.00 H new ATOM 87 N CYS A 7 -30.828 19.128 -14.045 1.00 0.00 N ATOM 88 CA CYS A 7 -31.838 19.715 -14.928 1.00 0.00 C ATOM 89 C CYS A 7 -31.757 19.158 -16.369 1.00 0.00 C ATOM 90 O CYS A 7 -32.476 19.618 -17.254 1.00 0.00 O ATOM 91 CB CYS A 7 -31.689 21.242 -14.833 1.00 0.00 C ATOM 92 SG CYS A 7 -31.934 21.851 -13.132 1.00 0.00 S ATOM 0 H CYS A 7 -29.903 19.532 -14.194 1.00 0.00 H new ATOM 0 HA CYS A 7 -32.842 19.437 -14.609 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -30.698 21.531 -15.182 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -32.412 21.718 -15.496 1.00 0.00 H new ATOM 97 N ALA A 8 -30.884 18.162 -16.589 1.00 0.00 N ATOM 98 CA ALA A 8 -30.697 17.446 -17.852 1.00 0.00 C ATOM 99 C ALA A 8 -30.280 15.962 -17.692 1.00 0.00 C ATOM 100 O ALA A 8 -30.012 15.290 -18.686 1.00 0.00 O ATOM 101 CB ALA A 8 -29.682 18.228 -18.699 1.00 0.00 C ATOM 0 H ALA A 8 -30.263 17.822 -15.855 1.00 0.00 H new ATOM 0 HA ALA A 8 -31.664 17.397 -18.352 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -29.526 17.713 -19.647 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -30.063 19.231 -18.889 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.736 18.295 -18.162 1.00 0.00 H new ATOM 107 N SER A 9 -30.202 15.415 -16.473 1.00 0.00 N ATOM 108 CA SER A 9 -29.856 14.006 -16.215 1.00 0.00 C ATOM 109 C SER A 9 -30.242 13.587 -14.791 1.00 0.00 C ATOM 110 O SER A 9 -30.416 14.431 -13.914 1.00 0.00 O ATOM 111 CB SER A 9 -28.351 13.782 -16.452 1.00 0.00 C ATOM 112 OG SER A 9 -28.102 13.561 -17.831 1.00 0.00 O ATOM 0 H SER A 9 -30.380 15.946 -15.621 1.00 0.00 H new ATOM 0 HA SER A 9 -30.423 13.385 -16.908 1.00 0.00 H new ATOM 0 HB2 SER A 9 -27.788 14.649 -16.107 1.00 0.00 H new ATOM 0 HB3 SER A 9 -28.007 12.927 -15.871 1.00 0.00 H new ATOM 0 HG SER A 9 -28.655 14.169 -18.365 1.00 0.00 H new ATOM 118 N VAL A 10 -30.386 12.278 -14.549 1.00 0.00 N ATOM 119 CA VAL A 10 -30.740 11.679 -13.241 1.00 0.00 C ATOM 120 C VAL A 10 -29.522 11.715 -12.297 1.00 0.00 C ATOM 121 O VAL A 10 -28.886 10.707 -11.985 1.00 0.00 O ATOM 122 CB VAL A 10 -31.352 10.268 -13.427 1.00 0.00 C ATOM 123 CG1 VAL A 10 -31.893 9.683 -12.117 1.00 0.00 C ATOM 124 CG2 VAL A 10 -32.538 10.304 -14.405 1.00 0.00 C ATOM 0 H VAL A 10 -30.256 11.577 -15.278 1.00 0.00 H new ATOM 0 HA VAL A 10 -31.519 12.272 -12.761 1.00 0.00 H new ATOM 0 HB VAL A 10 -30.537 9.650 -13.805 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -32.310 8.694 -12.305 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -31.083 9.603 -11.392 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -32.671 10.336 -11.721 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -32.948 9.300 -14.517 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -33.309 10.970 -14.018 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -32.199 10.667 -15.375 1.00 0.00 H new ATOM 134 N CYS A 11 -29.126 12.927 -11.909 1.00 0.00 N ATOM 135 CA CYS A 11 -27.840 13.269 -11.291 1.00 0.00 C ATOM 136 C CYS A 11 -27.536 12.542 -9.956 1.00 0.00 C ATOM 137 O CYS A 11 -28.436 12.000 -9.317 1.00 0.00 O ATOM 138 CB CYS A 11 -27.832 14.790 -11.116 1.00 0.00 C ATOM 139 SG CYS A 11 -28.824 15.388 -9.729 1.00 0.00 S ATOM 0 H CYS A 11 -29.726 13.744 -12.023 1.00 0.00 H new ATOM 0 HA CYS A 11 -27.041 12.924 -11.947 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -26.803 15.122 -10.981 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -28.198 15.251 -12.034 1.00 0.00 H new ATOM 144 N SER A 12 -26.272 12.545 -9.501 1.00 0.00 N ATOM 145 CA SER A 12 -25.816 11.838 -8.283 1.00 0.00 C ATOM 146 C SER A 12 -25.063 12.708 -7.264 1.00 0.00 C ATOM 147 O SER A 12 -24.670 13.836 -7.563 1.00 0.00 O ATOM 148 CB SER A 12 -25.054 10.556 -8.651 1.00 0.00 C ATOM 149 OG SER A 12 -25.993 9.554 -9.010 1.00 0.00 O ATOM 0 H SER A 12 -25.521 13.047 -9.975 1.00 0.00 H new ATOM 0 HA SER A 12 -26.724 11.558 -7.748 1.00 0.00 H new ATOM 0 HB2 SER A 12 -24.371 10.747 -9.479 1.00 0.00 H new ATOM 0 HB3 SER A 12 -24.448 10.222 -7.809 1.00 0.00 H new ATOM 0 HG SER A 12 -25.518 8.731 -9.249 1.00 0.00 H new ATOM 155 N LEU A 13 -24.913 12.172 -6.041 1.00 0.00 N ATOM 156 CA LEU A 13 -24.720 12.917 -4.782 1.00 0.00 C ATOM 157 C LEU A 13 -23.473 13.807 -4.707 1.00 0.00 C ATOM 158 O LEU A 13 -23.556 14.904 -4.165 1.00 0.00 O ATOM 159 CB LEU A 13 -24.653 11.947 -3.582 1.00 0.00 C ATOM 160 CG LEU A 13 -25.942 11.176 -3.251 1.00 0.00 C ATOM 161 CD1 LEU A 13 -26.067 9.882 -4.061 1.00 0.00 C ATOM 162 CD2 LEU A 13 -25.972 10.802 -1.771 1.00 0.00 C ATOM 0 H LEU A 13 -24.923 11.163 -5.895 1.00 0.00 H new ATOM 0 HA LEU A 13 -25.587 13.577 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -23.861 11.222 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -24.359 12.515 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 13 -26.770 11.838 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -26.993 9.373 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -26.078 10.118 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -25.219 9.233 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -26.890 10.257 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -25.112 10.174 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -25.935 11.708 -1.166 1.00 0.00 H new ATOM 174 N TYR A 14 -22.332 13.358 -5.233 1.00 0.00 N ATOM 175 CA TYR A 14 -21.036 14.038 -5.074 1.00 0.00 C ATOM 176 C TYR A 14 -21.030 15.476 -5.619 1.00 0.00 C ATOM 177 O TYR A 14 -20.295 16.326 -5.131 1.00 0.00 O ATOM 178 CB TYR A 14 -19.957 13.189 -5.765 1.00 0.00 C ATOM 179 CG TYR A 14 -20.087 11.703 -5.482 1.00 0.00 C ATOM 180 CD1 TYR A 14 -19.795 11.210 -4.196 1.00 0.00 C ATOM 181 CD2 TYR A 14 -20.582 10.831 -6.476 1.00 0.00 C ATOM 182 CE1 TYR A 14 -19.989 9.847 -3.899 1.00 0.00 C ATOM 183 CE2 TYR A 14 -20.782 9.470 -6.180 1.00 0.00 C ATOM 184 CZ TYR A 14 -20.488 8.975 -4.892 1.00 0.00 C ATOM 185 OH TYR A 14 -20.701 7.664 -4.613 1.00 0.00 O ATOM 0 H TYR A 14 -22.276 12.504 -5.788 1.00 0.00 H new ATOM 0 HA TYR A 14 -20.832 14.131 -4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -20.010 13.352 -6.841 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -18.974 13.529 -5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -19.421 11.879 -3.435 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -20.807 11.208 -7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -19.757 9.469 -2.914 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -21.161 8.803 -6.940 1.00 0.00 H new ATOM 0 HH TYR A 14 -21.047 7.212 -5.411 1.00 0.00 H new ATOM 195 N GLN A 15 -21.895 15.767 -6.593 1.00 0.00 N ATOM 196 CA GLN A 15 -22.085 17.107 -7.155 1.00 0.00 C ATOM 197 C GLN A 15 -22.714 18.100 -6.162 1.00 0.00 C ATOM 198 O GLN A 15 -22.619 19.302 -6.376 1.00 0.00 O ATOM 199 CB GLN A 15 -22.975 16.991 -8.399 1.00 0.00 C ATOM 200 CG GLN A 15 -22.347 16.136 -9.517 1.00 0.00 C ATOM 201 CD GLN A 15 -23.382 15.736 -10.560 1.00 0.00 C ATOM 202 OE1 GLN A 15 -24.403 14.992 -10.203 1.00 0.00 O flip ATOM 203 NE2 GLN A 15 -23.312 16.081 -11.723 1.00 0.00 N flip ATOM 0 H GLN A 15 -22.496 15.063 -7.022 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.100 17.502 -7.405 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -23.933 16.557 -8.113 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -23.180 17.989 -8.786 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -21.543 16.695 -9.996 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.900 15.241 -9.085 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -22.533 16.660 -12.037 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -24.032 15.792 -12.385 1.00 0.00 H new ATOM 212 N LEU A 16 -23.350 17.619 -5.088 1.00 0.00 N ATOM 213 CA LEU A 16 -23.889 18.447 -4.005 1.00 0.00 C ATOM 214 C LEU A 16 -22.828 18.695 -2.918 1.00 0.00 C ATOM 215 O LEU A 16 -22.676 19.825 -2.454 1.00 0.00 O ATOM 216 CB LEU A 16 -25.167 17.793 -3.437 1.00 0.00 C ATOM 217 CG LEU A 16 -26.256 17.465 -4.479 1.00 0.00 C ATOM 218 CD1 LEU A 16 -27.480 16.852 -3.799 1.00 0.00 C ATOM 219 CD2 LEU A 16 -26.718 18.689 -5.278 1.00 0.00 C ATOM 0 H LEU A 16 -23.507 16.621 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 16 -24.160 19.425 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -24.888 16.872 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -25.594 18.458 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 16 -25.798 16.759 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -28.238 16.627 -4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -27.191 15.933 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -27.885 17.558 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -27.484 18.389 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -27.129 19.434 -4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.870 19.116 -5.813 1.00 0.00 H new ATOM 231 N GLU A 17 -22.040 17.671 -2.566 1.00 0.00 N ATOM 232 CA GLU A 17 -20.870 17.826 -1.681 1.00 0.00 C ATOM 233 C GLU A 17 -19.877 18.847 -2.245 1.00 0.00 C ATOM 234 O GLU A 17 -19.440 19.753 -1.545 1.00 0.00 O ATOM 235 CB GLU A 17 -20.162 16.473 -1.508 1.00 0.00 C ATOM 236 CG GLU A 17 -20.946 15.493 -0.631 1.00 0.00 C ATOM 237 CD GLU A 17 -20.897 15.836 0.873 1.00 0.00 C ATOM 238 OE1 GLU A 17 -20.435 16.939 1.251 1.00 0.00 O ATOM 239 OE2 GLU A 17 -21.318 14.947 1.645 1.00 0.00 O ATOM 0 H GLU A 17 -22.192 16.714 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.226 18.186 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.002 16.025 -2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.178 16.638 -1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.986 15.477 -0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.550 14.488 -0.779 1.00 0.00 H new ATOM 246 N ASN A 18 -19.614 18.785 -3.553 1.00 0.00 N ATOM 247 CA ASN A 18 -18.777 19.752 -4.268 1.00 0.00 C ATOM 248 C ASN A 18 -19.361 21.196 -4.326 1.00 0.00 C ATOM 249 O ASN A 18 -18.796 22.041 -5.020 1.00 0.00 O ATOM 250 CB ASN A 18 -18.478 19.158 -5.664 1.00 0.00 C ATOM 251 CG ASN A 18 -17.126 19.558 -6.228 1.00 0.00 C ATOM 252 OD1 ASN A 18 -16.206 18.766 -6.312 1.00 0.00 O ATOM 253 ND2 ASN A 18 -16.949 20.789 -6.633 1.00 0.00 N ATOM 0 H ASN A 18 -19.983 18.049 -4.155 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.851 19.897 -3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -18.528 18.071 -5.603 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -19.258 19.475 -6.357 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.047 21.076 -7.014 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -17.713 21.462 -6.568 1.00 0.00 H new ATOM 260 N TYR A 19 -20.480 21.497 -3.651 1.00 0.00 N ATOM 261 CA TYR A 19 -21.099 22.836 -3.585 1.00 0.00 C ATOM 262 C TYR A 19 -21.457 23.304 -2.156 1.00 0.00 C ATOM 263 O TYR A 19 -21.601 24.516 -1.945 1.00 0.00 O ATOM 264 CB TYR A 19 -22.310 22.892 -4.541 1.00 0.00 C ATOM 265 CG TYR A 19 -21.965 23.419 -5.927 1.00 0.00 C ATOM 266 CD1 TYR A 19 -22.350 24.723 -6.293 1.00 0.00 C ATOM 267 CD2 TYR A 19 -21.231 22.638 -6.839 1.00 0.00 C ATOM 268 CE1 TYR A 19 -21.996 25.252 -7.548 1.00 0.00 C ATOM 269 CE2 TYR A 19 -20.847 23.168 -8.086 1.00 0.00 C ATOM 270 CZ TYR A 19 -21.236 24.475 -8.445 1.00 0.00 C ATOM 271 OH TYR A 19 -20.941 24.961 -9.679 1.00 0.00 O ATOM 0 H TYR A 19 -20.997 20.797 -3.119 1.00 0.00 H new ATOM 0 HA TYR A 19 -20.346 23.552 -3.914 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -22.734 21.893 -4.636 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -23.081 23.525 -4.102 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -22.923 25.324 -5.603 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -20.960 21.625 -6.581 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.306 26.250 -7.823 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.255 22.574 -8.767 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.410 24.301 -10.172 1.00 0.00 H new ATOM 281 N CYS A 20 -21.577 22.391 -1.184 1.00 0.00 N ATOM 282 CA CYS A 20 -21.670 22.741 0.236 1.00 0.00 C ATOM 283 C CYS A 20 -20.339 23.323 0.747 1.00 0.00 C ATOM 284 O CYS A 20 -19.282 22.891 0.286 1.00 0.00 O ATOM 285 CB CYS A 20 -22.095 21.518 1.056 1.00 0.00 C ATOM 286 SG CYS A 20 -22.478 21.951 2.772 1.00 0.00 S ATOM 0 H CYS A 20 -21.612 21.387 -1.362 1.00 0.00 H new ATOM 0 HA CYS A 20 -22.431 23.512 0.355 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -22.969 21.058 0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -21.297 20.775 1.039 1.00 0.00 H new ATOM 291 N ASN A 21 -20.375 24.311 1.653 1.00 0.00 N ATOM 292 CA ASN A 21 -19.164 24.946 2.189 1.00 0.00 C ATOM 293 C ASN A 21 -18.563 24.148 3.351 1.00 0.00 C ATOM 294 O ASN A 21 -17.427 23.664 3.188 1.00 0.00 O ATOM 295 CB ASN A 21 -19.438 26.422 2.564 1.00 0.00 C ATOM 296 CG ASN A 21 -18.166 27.250 2.717 1.00 0.00 C ATOM 297 OD1 ASN A 21 -17.025 26.636 2.937 1.00 0.00 O flip ATOM 298 ND2 ASN A 21 -18.175 28.458 2.551 1.00 0.00 N flip ATOM 299 OXT ASN A 21 -19.200 24.006 4.408 1.00 0.00 O ATOM 0 H ASN A 21 -21.242 24.691 2.033 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.410 24.945 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -20.068 26.874 1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -19.999 26.455 3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -19.056 28.943 2.380 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.302 28.984 2.583 1.00 0.00 H new ATOM 307 N PHE B 1 -30.118 10.125 -8.352 1.00 0.00 N ATOM 308 CA PHE B 1 -30.188 10.382 -6.895 1.00 0.00 C ATOM 309 C PHE B 1 -31.508 11.038 -6.580 1.00 0.00 C ATOM 310 O PHE B 1 -32.390 10.314 -6.147 1.00 0.00 O ATOM 311 CB PHE B 1 -28.999 11.161 -6.323 1.00 0.00 C ATOM 312 CG PHE B 1 -29.188 11.649 -4.899 1.00 0.00 C ATOM 313 CD1 PHE B 1 -29.520 10.745 -3.870 1.00 0.00 C ATOM 314 CD2 PHE B 1 -29.052 13.022 -4.607 1.00 0.00 C ATOM 315 CE1 PHE B 1 -29.710 11.212 -2.557 1.00 0.00 C ATOM 316 CE2 PHE B 1 -29.237 13.481 -3.292 1.00 0.00 C ATOM 317 CZ PHE B 1 -29.566 12.578 -2.268 1.00 0.00 C ATOM 0 H1 PHE B 1 -30.110 9.099 -8.524 1.00 0.00 H new ATOM 0 H2 PHE B 1 -30.945 10.548 -8.819 1.00 0.00 H new ATOM 0 H3 PHE B 1 -29.249 10.547 -8.738 1.00 0.00 H new ATOM 0 HA PHE B 1 -30.122 9.417 -6.392 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -28.114 10.526 -6.361 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -28.802 12.020 -6.964 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -29.629 9.693 -4.090 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -28.806 13.720 -5.393 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -29.967 10.519 -1.770 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -29.126 14.532 -3.068 1.00 0.00 H new ATOM 0 HZ PHE B 1 -29.708 12.934 -1.258 1.00 0.00 H new ATOM 329 N VAL B 2 -31.714 12.312 -6.941 1.00 0.00 N ATOM 330 CA VAL B 2 -33.074 12.726 -7.322 1.00 0.00 C ATOM 331 C VAL B 2 -33.527 11.843 -8.501 1.00 0.00 C ATOM 332 O VAL B 2 -32.682 11.341 -9.254 1.00 0.00 O ATOM 333 CB VAL B 2 -33.140 14.241 -7.605 1.00 0.00 C ATOM 334 CG1 VAL B 2 -32.722 14.608 -9.032 1.00 0.00 C ATOM 335 CG2 VAL B 2 -34.543 14.785 -7.337 1.00 0.00 C ATOM 0 H VAL B 2 -31.001 13.040 -6.978 1.00 0.00 H new ATOM 0 HA VAL B 2 -33.774 12.574 -6.500 1.00 0.00 H new ATOM 0 HB VAL B 2 -32.424 14.701 -6.924 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -32.791 15.688 -9.165 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -31.695 14.286 -9.204 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -33.382 14.112 -9.743 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -34.564 15.855 -7.544 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -35.260 14.277 -7.982 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -34.807 14.612 -6.294 1.00 0.00 H new ATOM 345 N ASN B 3 -34.819 11.555 -8.597 1.00 0.00 N ATOM 346 CA ASN B 3 -35.367 10.490 -9.443 1.00 0.00 C ATOM 347 C ASN B 3 -35.313 10.790 -10.948 1.00 0.00 C ATOM 348 O ASN B 3 -35.388 9.870 -11.759 1.00 0.00 O ATOM 349 CB ASN B 3 -36.830 10.243 -9.024 1.00 0.00 C ATOM 350 CG ASN B 3 -36.994 9.871 -7.560 1.00 0.00 C ATOM 351 OD1 ASN B 3 -36.606 10.586 -6.653 1.00 0.00 O ATOM 352 ND2 ASN B 3 -37.578 8.731 -7.268 1.00 0.00 N ATOM 0 H ASN B 3 -35.535 12.064 -8.079 1.00 0.00 H new ATOM 0 HA ASN B 3 -34.743 9.610 -9.291 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -37.413 11.141 -9.229 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -37.245 9.446 -9.641 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -37.701 8.456 -6.294 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -37.908 8.121 -8.016 1.00 0.00 H new ATOM 359 N GLN B 4 -35.223 12.064 -11.326 1.00 0.00 N ATOM 360 CA GLN B 4 -35.563 12.542 -12.663 1.00 0.00 C ATOM 361 C GLN B 4 -34.627 13.660 -13.139 1.00 0.00 C ATOM 362 O GLN B 4 -34.071 14.412 -12.345 1.00 0.00 O ATOM 363 CB GLN B 4 -37.045 12.974 -12.675 1.00 0.00 C ATOM 364 CG GLN B 4 -37.355 14.349 -12.048 1.00 0.00 C ATOM 365 CD GLN B 4 -36.835 14.569 -10.631 1.00 0.00 C ATOM 366 OE1 GLN B 4 -36.944 13.725 -9.756 1.00 0.00 O ATOM 367 NE2 GLN B 4 -36.237 15.705 -10.358 1.00 0.00 N ATOM 0 H GLN B 4 -34.906 12.805 -10.700 1.00 0.00 H new ATOM 0 HA GLN B 4 -35.424 11.729 -13.376 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -37.392 12.982 -13.708 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -37.627 12.218 -12.149 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -36.936 15.123 -12.692 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -38.436 14.489 -12.043 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -36.140 16.417 -11.082 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -35.869 15.876 -9.422 1.00 0.00 H new ATOM 376 N HIS B 5 -34.506 13.785 -14.456 1.00 0.00 N ATOM 377 CA HIS B 5 -33.785 14.841 -15.176 1.00 0.00 C ATOM 378 C HIS B 5 -34.541 16.179 -15.247 1.00 0.00 C ATOM 379 O HIS B 5 -34.027 17.142 -15.808 1.00 0.00 O ATOM 380 CB HIS B 5 -33.497 14.301 -16.590 1.00 0.00 C ATOM 381 CG HIS B 5 -34.712 13.726 -17.284 1.00 0.00 C ATOM 382 ND1 HIS B 5 -35.338 12.524 -16.935 1.00 0.00 N ATOM 383 CD2 HIS B 5 -35.401 14.298 -18.313 1.00 0.00 C ATOM 384 CE1 HIS B 5 -36.373 12.389 -17.774 1.00 0.00 C ATOM 385 NE2 HIS B 5 -36.439 13.441 -18.608 1.00 0.00 N ATOM 0 H HIS B 5 -34.933 13.113 -15.093 1.00 0.00 H new ATOM 0 HA HIS B 5 -32.869 15.072 -14.631 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -33.089 15.107 -17.200 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -32.729 13.530 -16.525 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -35.177 15.236 -18.800 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -37.057 11.554 -17.780 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -37.139 13.581 -19.336 1.00 0.00 H new ATOM 393 N LEU B 6 -35.774 16.238 -14.736 1.00 0.00 N ATOM 394 CA LEU B 6 -36.578 17.458 -14.642 1.00 0.00 C ATOM 395 C LEU B 6 -36.146 18.299 -13.424 1.00 0.00 C ATOM 396 O LEU B 6 -36.063 17.798 -12.303 1.00 0.00 O ATOM 397 CB LEU B 6 -38.074 17.073 -14.668 1.00 0.00 C ATOM 398 CG LEU B 6 -39.119 18.199 -14.802 1.00 0.00 C ATOM 399 CD1 LEU B 6 -39.351 18.979 -13.512 1.00 0.00 C ATOM 400 CD2 LEU B 6 -38.800 19.179 -15.933 1.00 0.00 C ATOM 0 H LEU B 6 -36.252 15.416 -14.367 1.00 0.00 H new ATOM 0 HA LEU B 6 -36.410 18.108 -15.500 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -38.224 16.380 -15.496 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -38.292 16.525 -13.751 1.00 0.00 H new ATOM 0 HG LEU B 6 -40.040 17.670 -15.045 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -40.098 19.753 -13.685 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -39.704 18.301 -12.735 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -38.417 19.441 -13.193 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -39.571 19.948 -15.977 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -37.833 19.646 -15.748 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -38.768 18.642 -16.881 1.00 0.00 H new ATOM 412 N CYS B 7 -35.867 19.576 -13.685 1.00 0.00 N ATOM 413 CA CYS B 7 -35.222 20.553 -12.805 1.00 0.00 C ATOM 414 C CYS B 7 -36.094 21.044 -11.627 1.00 0.00 C ATOM 415 O CYS B 7 -37.277 21.332 -11.818 1.00 0.00 O ATOM 416 CB CYS B 7 -34.874 21.725 -13.731 1.00 0.00 C ATOM 417 SG CYS B 7 -33.657 22.930 -13.165 1.00 0.00 S ATOM 0 H CYS B 7 -36.104 19.987 -14.588 1.00 0.00 H new ATOM 0 HA CYS B 7 -34.362 20.095 -12.316 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -34.517 21.309 -14.673 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -35.797 22.262 -13.949 1.00 0.00 H new ATOM 422 N GLY B 8 -35.505 21.244 -10.438 1.00 0.00 N ATOM 423 CA GLY B 8 -36.210 21.839 -9.295 1.00 0.00 C ATOM 424 C GLY B 8 -35.356 22.086 -8.043 1.00 0.00 C ATOM 425 O GLY B 8 -34.269 21.529 -7.886 1.00 0.00 O ATOM 0 H GLY B 8 -34.534 21.000 -10.244 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -36.641 22.789 -9.612 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -37.040 21.187 -9.024 1.00 0.00 H new ATOM 429 N SER B 9 -35.875 22.915 -7.128 1.00 0.00 N ATOM 430 CA SER B 9 -35.246 23.270 -5.835 1.00 0.00 C ATOM 431 C SER B 9 -35.032 22.089 -4.880 1.00 0.00 C ATOM 432 O SER B 9 -34.325 22.229 -3.882 1.00 0.00 O ATOM 433 CB SER B 9 -36.085 24.315 -5.094 1.00 0.00 C ATOM 434 OG SER B 9 -36.292 25.447 -5.915 1.00 0.00 O ATOM 0 H SER B 9 -36.774 23.376 -7.266 1.00 0.00 H new ATOM 0 HA SER B 9 -34.264 23.656 -6.110 1.00 0.00 H new ATOM 0 HB2 SER B 9 -37.044 23.885 -4.807 1.00 0.00 H new ATOM 0 HB3 SER B 9 -35.581 24.611 -4.174 1.00 0.00 H new ATOM 0 HG SER B 9 -36.831 26.108 -5.432 1.00 0.00 H new ATOM 440 N HIS B 10 -35.558 20.910 -5.208 1.00 0.00 N ATOM 441 CA HIS B 10 -35.395 19.663 -4.455 1.00 0.00 C ATOM 442 C HIS B 10 -33.925 19.257 -4.276 1.00 0.00 C ATOM 443 O HIS B 10 -33.587 18.546 -3.337 1.00 0.00 O ATOM 444 CB HIS B 10 -36.184 18.560 -5.169 1.00 0.00 C ATOM 445 CG HIS B 10 -37.545 19.014 -5.638 1.00 0.00 C ATOM 446 ND1 HIS B 10 -37.825 19.527 -6.910 1.00 0.00 N ATOM 447 CD2 HIS B 10 -38.629 19.204 -4.837 1.00 0.00 C ATOM 448 CE1 HIS B 10 -39.090 19.969 -6.853 1.00 0.00 C ATOM 449 NE2 HIS B 10 -39.595 19.795 -5.621 1.00 0.00 N ATOM 0 H HIS B 10 -36.134 20.790 -6.041 1.00 0.00 H new ATOM 0 HA HIS B 10 -35.782 19.819 -3.448 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -35.610 18.208 -6.026 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -36.303 17.712 -4.495 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -38.715 18.943 -3.793 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -39.628 20.404 -7.682 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -40.533 20.056 -5.318 1.00 0.00 H new ATOM 457 N LEU B 11 -33.020 19.752 -5.131 1.00 0.00 N ATOM 458 CA LEU B 11 -31.572 19.564 -4.972 1.00 0.00 C ATOM 459 C LEU B 11 -30.939 20.495 -3.922 1.00 0.00 C ATOM 460 O LEU B 11 -29.938 20.127 -3.314 1.00 0.00 O ATOM 461 CB LEU B 11 -30.868 19.730 -6.329 1.00 0.00 C ATOM 462 CG LEU B 11 -31.055 18.597 -7.357 1.00 0.00 C ATOM 463 CD1 LEU B 11 -30.696 17.216 -6.796 1.00 0.00 C ATOM 464 CD2 LEU B 11 -32.452 18.538 -7.967 1.00 0.00 C ATOM 0 H LEU B 11 -33.273 20.296 -5.956 1.00 0.00 H new ATOM 0 HA LEU B 11 -31.431 18.549 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -31.217 20.658 -6.781 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -29.800 19.847 -6.145 1.00 0.00 H new ATOM 0 HG LEU B 11 -30.353 18.853 -8.150 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -30.848 16.460 -7.566 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -29.652 17.211 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -31.333 16.995 -5.939 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -32.503 17.715 -8.680 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -33.187 18.381 -7.178 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -32.665 19.476 -8.480 1.00 0.00 H new ATOM 476 N VAL B 12 -31.536 21.667 -3.673 1.00 0.00 N ATOM 477 CA VAL B 12 -31.200 22.544 -2.534 1.00 0.00 C ATOM 478 C VAL B 12 -31.803 21.998 -1.240 1.00 0.00 C ATOM 479 O VAL B 12 -31.119 21.993 -0.220 1.00 0.00 O ATOM 480 CB VAL B 12 -31.606 24.008 -2.799 1.00 0.00 C ATOM 481 CG1 VAL B 12 -31.518 24.893 -1.548 1.00 0.00 C ATOM 482 CG2 VAL B 12 -30.672 24.614 -3.856 1.00 0.00 C ATOM 0 H VAL B 12 -32.278 22.042 -4.264 1.00 0.00 H new ATOM 0 HA VAL B 12 -30.116 22.546 -2.416 1.00 0.00 H new ATOM 0 HB VAL B 12 -32.644 23.983 -3.132 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -31.816 25.911 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -32.182 24.501 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -30.493 24.897 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -30.958 25.649 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -29.644 24.582 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -30.750 24.042 -4.781 1.00 0.00 H new ATOM 492 N GLU B 13 -33.013 21.437 -1.276 1.00 0.00 N ATOM 493 CA GLU B 13 -33.548 20.651 -0.152 1.00 0.00 C ATOM 494 C GLU B 13 -32.630 19.450 0.160 1.00 0.00 C ATOM 495 O GLU B 13 -32.241 19.237 1.309 1.00 0.00 O ATOM 496 CB GLU B 13 -34.983 20.194 -0.463 1.00 0.00 C ATOM 497 CG GLU B 13 -35.968 21.367 -0.651 1.00 0.00 C ATOM 498 CD GLU B 13 -37.218 21.007 -1.477 1.00 0.00 C ATOM 499 OE1 GLU B 13 -37.496 19.798 -1.647 1.00 0.00 O ATOM 500 OE2 GLU B 13 -37.858 21.952 -1.991 1.00 0.00 O ATOM 0 H GLU B 13 -33.646 21.510 -2.072 1.00 0.00 H new ATOM 0 HA GLU B 13 -33.577 21.281 0.737 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -34.976 19.586 -1.368 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -35.338 19.556 0.347 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -36.283 21.725 0.329 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -35.447 22.191 -1.139 1.00 0.00 H new ATOM 507 N ALA B 14 -32.166 18.732 -0.869 1.00 0.00 N ATOM 508 CA ALA B 14 -31.176 17.663 -0.737 1.00 0.00 C ATOM 509 C ALA B 14 -29.817 18.148 -0.198 1.00 0.00 C ATOM 510 O ALA B 14 -29.195 17.429 0.575 1.00 0.00 O ATOM 511 CB ALA B 14 -31.006 16.941 -2.077 1.00 0.00 C ATOM 0 H ALA B 14 -32.474 18.881 -1.830 1.00 0.00 H new ATOM 0 HA ALA B 14 -31.560 16.967 0.009 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -30.267 16.146 -1.971 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -31.960 16.511 -2.382 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -30.669 17.651 -2.833 1.00 0.00 H new ATOM 517 N LEU B 15 -29.354 19.353 -0.548 1.00 0.00 N ATOM 518 CA LEU B 15 -28.150 19.956 0.050 1.00 0.00 C ATOM 519 C LEU B 15 -28.301 20.183 1.568 1.00 0.00 C ATOM 520 O LEU B 15 -27.360 19.920 2.320 1.00 0.00 O ATOM 521 CB LEU B 15 -27.823 21.276 -0.671 1.00 0.00 C ATOM 522 CG LEU B 15 -26.982 21.091 -1.939 1.00 0.00 C ATOM 523 CD1 LEU B 15 -27.167 22.249 -2.922 1.00 0.00 C ATOM 524 CD2 LEU B 15 -25.498 21.071 -1.579 1.00 0.00 C ATOM 0 H LEU B 15 -29.800 19.940 -1.253 1.00 0.00 H new ATOM 0 HA LEU B 15 -27.324 19.256 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -28.755 21.778 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -27.290 21.933 0.016 1.00 0.00 H new ATOM 0 HG LEU B 15 -27.309 20.156 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -26.553 22.077 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -28.215 22.314 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -26.865 23.182 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -24.906 20.939 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -25.227 22.013 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -25.301 20.247 -0.893 1.00 0.00 H new ATOM 536 N TYR B 16 -29.477 20.605 2.047 1.00 0.00 N ATOM 537 CA TYR B 16 -29.774 20.651 3.489 1.00 0.00 C ATOM 538 C TYR B 16 -29.871 19.261 4.130 1.00 0.00 C ATOM 539 O TYR B 16 -29.438 19.107 5.268 1.00 0.00 O ATOM 540 CB TYR B 16 -31.065 21.430 3.777 1.00 0.00 C ATOM 541 CG TYR B 16 -30.940 22.935 3.647 1.00 0.00 C ATOM 542 CD1 TYR B 16 -30.175 23.653 4.591 1.00 0.00 C ATOM 543 CD2 TYR B 16 -31.587 23.615 2.598 1.00 0.00 C ATOM 544 CE1 TYR B 16 -30.036 25.050 4.471 1.00 0.00 C ATOM 545 CE2 TYR B 16 -31.469 25.013 2.487 1.00 0.00 C ATOM 546 CZ TYR B 16 -30.686 25.730 3.416 1.00 0.00 C ATOM 547 OH TYR B 16 -30.544 27.072 3.277 1.00 0.00 O ATOM 0 H TYR B 16 -30.245 20.922 1.455 1.00 0.00 H new ATOM 0 HA TYR B 16 -28.927 21.169 3.939 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -31.842 21.084 3.095 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -31.398 21.193 4.787 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -29.696 23.131 5.406 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -32.174 23.064 1.878 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -29.436 25.599 5.182 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -31.978 25.537 1.691 1.00 0.00 H new ATOM 0 HH TYR B 16 -31.057 27.376 2.500 1.00 0.00 H new ATOM 557 N LEU B 17 -30.402 18.251 3.435 1.00 0.00 N ATOM 558 CA LEU B 17 -30.441 16.867 3.927 1.00 0.00 C ATOM 559 C LEU B 17 -29.061 16.183 3.976 1.00 0.00 C ATOM 560 O LEU B 17 -28.836 15.349 4.850 1.00 0.00 O ATOM 561 CB LEU B 17 -31.419 16.051 3.063 1.00 0.00 C ATOM 562 CG LEU B 17 -32.894 16.474 3.210 1.00 0.00 C ATOM 563 CD1 LEU B 17 -33.728 15.853 2.091 1.00 0.00 C ATOM 564 CD2 LEU B 17 -33.474 16.017 4.550 1.00 0.00 C ATOM 0 H LEU B 17 -30.819 18.369 2.512 1.00 0.00 H new ATOM 0 HA LEU B 17 -30.784 16.905 4.961 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -31.128 16.145 2.017 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -31.327 14.997 3.326 1.00 0.00 H new ATOM 0 HG LEU B 17 -32.929 17.562 3.157 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -34.769 16.157 2.202 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -33.352 16.192 1.126 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -33.659 14.767 2.146 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -34.515 16.331 4.622 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -33.417 14.931 4.620 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -32.903 16.463 5.365 1.00 0.00 H new ATOM 576 N VAL B 18 -28.143 16.529 3.069 1.00 0.00 N ATOM 577 CA VAL B 18 -26.761 16.013 3.054 1.00 0.00 C ATOM 578 C VAL B 18 -25.857 16.762 4.039 1.00 0.00 C ATOM 579 O VAL B 18 -25.035 16.143 4.708 1.00 0.00 O ATOM 580 CB VAL B 18 -26.192 16.063 1.616 1.00 0.00 C ATOM 581 CG1 VAL B 18 -24.683 15.800 1.526 1.00 0.00 C ATOM 582 CG2 VAL B 18 -26.881 14.999 0.746 1.00 0.00 C ATOM 0 H VAL B 18 -28.336 17.184 2.312 1.00 0.00 H new ATOM 0 HA VAL B 18 -26.786 14.974 3.384 1.00 0.00 H new ATOM 0 HB VAL B 18 -26.382 17.079 1.270 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -24.366 15.853 0.485 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -24.148 16.551 2.107 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -24.462 14.809 1.922 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -26.477 15.039 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -26.702 14.011 1.170 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -27.953 15.192 0.716 1.00 0.00 H new ATOM 592 N CYS B 19 -25.995 18.090 4.132 1.00 0.00 N ATOM 593 CA CYS B 19 -24.939 18.953 4.678 1.00 0.00 C ATOM 594 C CYS B 19 -25.397 19.941 5.780 1.00 0.00 C ATOM 595 O CYS B 19 -24.578 20.447 6.551 1.00 0.00 O ATOM 596 CB CYS B 19 -24.307 19.657 3.474 1.00 0.00 C ATOM 597 SG CYS B 19 -22.613 20.188 3.752 1.00 0.00 S ATOM 0 H CYS B 19 -26.831 18.593 3.835 1.00 0.00 H new ATOM 0 HA CYS B 19 -24.215 18.340 5.215 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -24.331 18.984 2.617 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -24.912 20.525 3.214 1.00 0.00 H new ATOM 602 N GLY B 20 -26.709 20.187 5.889 1.00 0.00 N ATOM 603 CA GLY B 20 -27.340 20.910 6.997 1.00 0.00 C ATOM 604 C GLY B 20 -26.812 22.328 7.240 1.00 0.00 C ATOM 605 O GLY B 20 -26.957 23.211 6.399 1.00 0.00 O ATOM 0 H GLY B 20 -27.380 19.878 5.186 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -28.412 20.967 6.808 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -27.208 20.329 7.910 1.00 0.00 H new ATOM 609 N GLU B 21 -26.249 22.542 8.429 1.00 0.00 N ATOM 610 CA GLU B 21 -25.870 23.842 9.005 1.00 0.00 C ATOM 611 C GLU B 21 -24.765 24.587 8.232 1.00 0.00 C ATOM 612 O GLU B 21 -24.719 25.815 8.264 1.00 0.00 O ATOM 613 CB GLU B 21 -25.446 23.548 10.455 1.00 0.00 C ATOM 614 CG GLU B 21 -25.100 24.777 11.307 1.00 0.00 C ATOM 615 CD GLU B 21 -24.916 24.425 12.794 1.00 0.00 C ATOM 616 OE1 GLU B 21 -24.650 23.237 13.094 1.00 0.00 O ATOM 617 OE2 GLU B 21 -25.048 25.351 13.622 1.00 0.00 O ATOM 0 H GLU B 21 -26.030 21.769 9.057 1.00 0.00 H new ATOM 0 HA GLU B 21 -26.718 24.524 8.948 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -26.252 23.003 10.947 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -24.580 22.887 10.434 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -24.185 25.233 10.928 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -25.891 25.520 11.207 1.00 0.00 H new ATOM 624 N ARG B 22 -23.912 23.857 7.498 1.00 0.00 N ATOM 625 CA ARG B 22 -22.720 24.377 6.793 1.00 0.00 C ATOM 626 C ARG B 22 -23.000 25.501 5.783 1.00 0.00 C ATOM 627 O ARG B 22 -22.142 26.353 5.569 1.00 0.00 O ATOM 628 CB ARG B 22 -22.024 23.193 6.086 1.00 0.00 C ATOM 629 CG ARG B 22 -21.067 22.430 7.018 1.00 0.00 C ATOM 630 CD ARG B 22 -20.464 21.155 6.394 1.00 0.00 C ATOM 631 NE ARG B 22 -19.592 21.434 5.232 1.00 0.00 N ATOM 632 CZ ARG B 22 -19.147 20.598 4.305 1.00 0.00 C ATOM 633 NH1 ARG B 22 -19.469 19.330 4.285 1.00 0.00 N ATOM 634 NH2 ARG B 22 -18.361 21.023 3.360 1.00 0.00 N ATOM 0 H ARG B 22 -24.033 22.852 7.371 1.00 0.00 H new ATOM 0 HA ARG B 22 -22.083 24.835 7.550 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -22.780 22.506 5.706 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -21.468 23.564 5.225 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -20.256 23.096 7.313 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -21.603 22.158 7.928 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -19.889 20.623 7.152 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -21.272 20.493 6.084 1.00 0.00 H new ATOM 0 HE ARG B 22 -19.292 22.404 5.130 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -20.086 18.949 5.002 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -19.103 18.722 3.552 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -18.084 22.004 3.330 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -18.021 20.375 2.649 1.00 0.00 H new ATOM 648 N GLY B 23 -24.179 25.518 5.157 1.00 0.00 N ATOM 649 CA GLY B 23 -24.479 26.423 4.037 1.00 0.00 C ATOM 650 C GLY B 23 -23.748 26.050 2.734 1.00 0.00 C ATOM 651 O GLY B 23 -22.980 25.091 2.688 1.00 0.00 O ATOM 0 H GLY B 23 -24.955 24.906 5.410 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -25.554 26.420 3.855 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -24.207 27.440 4.319 1.00 0.00 H new ATOM 655 N PHE B 24 -24.020 26.763 1.633 1.00 0.00 N ATOM 656 CA PHE B 24 -23.574 26.388 0.274 1.00 0.00 C ATOM 657 C PHE B 24 -22.942 27.583 -0.462 1.00 0.00 C ATOM 658 O PHE B 24 -23.542 28.657 -0.515 1.00 0.00 O ATOM 659 CB PHE B 24 -24.743 25.775 -0.531 1.00 0.00 C ATOM 660 CG PHE B 24 -25.801 25.029 0.272 1.00 0.00 C ATOM 661 CD1 PHE B 24 -25.450 23.955 1.113 1.00 0.00 C ATOM 662 CD2 PHE B 24 -27.139 25.469 0.236 1.00 0.00 C ATOM 663 CE1 PHE B 24 -26.405 23.372 1.962 1.00 0.00 C ATOM 664 CE2 PHE B 24 -28.108 24.855 1.050 1.00 0.00 C ATOM 665 CZ PHE B 24 -27.736 23.820 1.923 1.00 0.00 C ATOM 0 H PHE B 24 -24.562 27.627 1.655 1.00 0.00 H new ATOM 0 HA PHE B 24 -22.798 25.628 0.370 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -25.235 26.576 -1.083 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -24.327 25.089 -1.269 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -24.438 23.577 1.105 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -27.421 26.280 -0.419 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -26.118 22.583 2.641 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -29.137 25.179 1.004 1.00 0.00 H new ATOM 0 HZ PHE B 24 -28.475 23.367 2.567 1.00 0.00 H new ATOM 675 N PHE B 25 -21.746 27.398 -1.038 1.00 0.00 N ATOM 676 CA PHE B 25 -20.935 28.500 -1.570 1.00 0.00 C ATOM 677 C PHE B 25 -21.351 28.960 -2.976 1.00 0.00 C ATOM 678 O PHE B 25 -21.313 30.150 -3.255 1.00 0.00 O ATOM 679 CB PHE B 25 -19.450 28.103 -1.539 1.00 0.00 C ATOM 680 CG PHE B 25 -18.515 29.243 -1.913 1.00 0.00 C ATOM 681 CD1 PHE B 25 -18.204 29.495 -3.263 1.00 0.00 C ATOM 682 CD2 PHE B 25 -17.979 30.075 -0.908 1.00 0.00 C ATOM 683 CE1 PHE B 25 -17.365 30.570 -3.609 1.00 0.00 C ATOM 684 CE2 PHE B 25 -17.137 31.145 -1.256 1.00 0.00 C ATOM 685 CZ PHE B 25 -16.826 31.386 -2.605 1.00 0.00 C ATOM 0 H PHE B 25 -21.314 26.480 -1.148 1.00 0.00 H new ATOM 0 HA PHE B 25 -21.108 29.361 -0.924 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -19.197 27.747 -0.540 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -19.289 27.271 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -18.611 28.860 -4.036 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -18.216 29.890 0.129 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -17.137 30.766 -4.646 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -16.729 31.783 -0.486 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.170 32.202 -2.869 1.00 0.00 H new ATOM 695 N TYR B 26 -21.751 28.039 -3.860 1.00 0.00 N ATOM 696 CA TYR B 26 -22.244 28.319 -5.221 1.00 0.00 C ATOM 697 C TYR B 26 -21.353 29.244 -6.078 1.00 0.00 C ATOM 698 O TYR B 26 -21.552 30.450 -6.191 1.00 0.00 O ATOM 699 CB TYR B 26 -23.728 28.732 -5.188 1.00 0.00 C ATOM 700 CG TYR B 26 -24.629 27.525 -5.360 1.00 0.00 C ATOM 701 CD1 TYR B 26 -25.098 27.192 -6.646 1.00 0.00 C ATOM 702 CD2 TYR B 26 -24.879 26.670 -4.265 1.00 0.00 C ATOM 703 CE1 TYR B 26 -25.803 25.988 -6.849 1.00 0.00 C ATOM 704 CE2 TYR B 26 -25.577 25.463 -4.464 1.00 0.00 C ATOM 705 CZ TYR B 26 -26.029 25.118 -5.763 1.00 0.00 C ATOM 706 OH TYR B 26 -26.670 23.941 -5.973 1.00 0.00 O ATOM 0 H TYR B 26 -21.742 27.042 -3.644 1.00 0.00 H new ATOM 0 HA TYR B 26 -22.172 27.376 -5.763 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -23.951 29.226 -4.242 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -23.926 29.455 -5.980 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -24.918 27.859 -7.476 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -24.536 26.941 -3.277 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -26.169 25.733 -7.833 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -25.767 24.803 -3.631 1.00 0.00 H new ATOM 0 HH TYR B 26 -26.486 23.626 -6.883 1.00 0.00 H new ATOM 716 N THR B 27 -20.380 28.628 -6.755 1.00 0.00 N ATOM 717 CA THR B 27 -19.592 29.268 -7.821 1.00 0.00 C ATOM 718 C THR B 27 -20.413 29.477 -9.114 1.00 0.00 C ATOM 719 O THR B 27 -21.356 28.716 -9.369 1.00 0.00 O ATOM 720 CB THR B 27 -18.328 28.444 -8.123 1.00 0.00 C ATOM 721 OG1 THR B 27 -18.651 27.112 -8.446 1.00 0.00 O ATOM 722 CG2 THR B 27 -17.380 28.398 -6.925 1.00 0.00 C ATOM 0 H THR B 27 -20.111 27.660 -6.579 1.00 0.00 H new ATOM 0 HA THR B 27 -19.303 30.254 -7.457 1.00 0.00 H new ATOM 0 HB THR B 27 -17.845 28.938 -8.966 1.00 0.00 H new ATOM 0 HG1 THR B 27 -17.829 26.613 -8.635 1.00 0.00 H new ATOM 0 HG21 THR B 27 -16.500 27.807 -7.180 1.00 0.00 H new ATOM 0 HG22 THR B 27 -17.073 29.411 -6.665 1.00 0.00 H new ATOM 0 HG23 THR B 27 -17.889 27.943 -6.075 1.00 0.00 H new ATOM 730 N PRO B 28 -20.053 30.454 -9.978 1.00 0.00 N ATOM 731 CA PRO B 28 -18.978 31.443 -9.825 1.00 0.00 C ATOM 732 C PRO B 28 -19.321 32.545 -8.809 1.00 0.00 C ATOM 733 O PRO B 28 -20.429 33.072 -8.814 1.00 0.00 O ATOM 734 CB PRO B 28 -18.786 32.040 -11.223 1.00 0.00 C ATOM 735 CG PRO B 28 -20.191 31.981 -11.821 1.00 0.00 C ATOM 736 CD PRO B 28 -20.759 30.690 -11.232 1.00 0.00 C ATOM 0 HA PRO B 28 -18.075 30.972 -9.438 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -18.410 33.062 -11.177 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -18.072 31.464 -11.813 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -20.787 32.850 -11.540 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -20.166 31.951 -12.910 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -21.831 30.782 -11.061 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -20.616 29.856 -11.919 1.00 0.00 H new ATOM 744 N LYS B 29 -18.349 32.892 -7.958 1.00 0.00 N ATOM 745 CA LYS B 29 -18.454 33.899 -6.892 1.00 0.00 C ATOM 746 C LYS B 29 -17.068 34.312 -6.384 1.00 0.00 C ATOM 747 O LYS B 29 -16.121 33.538 -6.520 1.00 0.00 O ATOM 748 CB LYS B 29 -19.244 33.321 -5.696 1.00 0.00 C ATOM 749 CG LYS B 29 -20.682 33.853 -5.558 1.00 0.00 C ATOM 750 CD LYS B 29 -21.182 34.002 -4.104 1.00 0.00 C ATOM 751 CE LYS B 29 -20.629 32.957 -3.121 1.00 0.00 C ATOM 752 NZ LYS B 29 -19.551 33.506 -2.261 1.00 0.00 N ATOM 0 H LYS B 29 -17.426 32.460 -7.994 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.964 34.767 -7.310 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -19.280 32.236 -5.792 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.700 33.542 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -20.744 34.824 -6.050 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -21.355 33.182 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -20.916 34.996 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -22.270 33.943 -4.101 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -21.440 32.588 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -20.245 32.103 -3.680 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -18.802 32.794 -2.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -19.154 34.359 -2.704 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -19.941 33.750 -1.329 1.00 0.00 H new