USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=12 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: B 4 GLN : amide:sc= 1.05 K(o=1.8,f=-3.5) USER MOD Set 1.2: B 10 HIS : no HD1:sc= 0.756 K(o=1.8,f=-5.1) USER MOD Set 2.1: A 19 TYR OH : rot 99:sc= 0.207 USER MOD Set 2.2: B 27 THR OG1 : rot 180:sc= 0.705 USER MOD Set 3.1: A 5 GLN : amide:sc= 0.115 K(o=0.47,f=-0.13) USER MOD Set 3.2: A 15 GLN : amide:sc= 0.351 K(o=0.47,f=-0.84) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.879 (180deg=-0.231) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0016 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.055) USER MOD Single : A 21 ASN :FLIP amide:sc= 0.54 F(o=-0.35,f=0.54) USER MOD Single : B 1 PHE N :NH3+ -115:sc= 1.23 (180deg=-0.114) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.1) USER MOD Single : B 9 SER OG : rot 180:sc= 0 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 29 LYS NZ :NH3+ -174:sc= 3.45 (180deg=3.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.852 26.808 -12.148 1.00 0.00 N ATOM 2 CA GLY A 1 -23.700 26.506 -10.982 1.00 0.00 C ATOM 3 C GLY A 1 -24.218 25.085 -11.085 1.00 0.00 C ATOM 4 O GLY A 1 -25.344 24.902 -11.526 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.037 27.379 -11.846 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.515 25.920 -12.571 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.405 27.339 -12.851 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.129 26.630 -10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.535 27.206 -10.935 1.00 0.00 H new ATOM 10 N ILE A 2 -23.414 24.086 -10.687 1.00 0.00 N ATOM 11 CA ILE A 2 -23.448 22.690 -11.205 1.00 0.00 C ATOM 12 C ILE A 2 -24.782 21.929 -11.069 1.00 0.00 C ATOM 13 O ILE A 2 -24.987 20.910 -11.725 1.00 0.00 O ATOM 14 CB ILE A 2 -22.277 21.898 -10.586 1.00 0.00 C ATOM 15 CG1 ILE A 2 -21.824 20.729 -11.485 1.00 0.00 C ATOM 16 CG2 ILE A 2 -22.660 21.399 -9.191 1.00 0.00 C ATOM 17 CD1 ILE A 2 -20.556 20.023 -10.989 1.00 0.00 C ATOM 0 H ILE A 2 -22.697 24.222 -9.974 1.00 0.00 H new ATOM 0 HA ILE A 2 -23.340 22.780 -12.286 1.00 0.00 H new ATOM 0 HB ILE A 2 -21.428 22.576 -10.500 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -22.632 20.000 -11.552 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -21.649 21.105 -12.493 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -21.827 20.841 -8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -22.894 22.250 -8.552 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -23.532 20.749 -9.264 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -20.300 19.213 -11.672 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -19.734 20.738 -10.949 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -20.732 19.616 -9.993 1.00 0.00 H new ATOM 29 N VAL A 3 -25.732 22.455 -10.291 1.00 0.00 N ATOM 30 CA VAL A 3 -27.151 22.072 -10.371 1.00 0.00 C ATOM 31 C VAL A 3 -27.705 22.175 -11.804 1.00 0.00 C ATOM 32 O VAL A 3 -28.655 21.473 -12.130 1.00 0.00 O ATOM 33 CB VAL A 3 -27.981 22.880 -9.347 1.00 0.00 C ATOM 34 CG1 VAL A 3 -28.237 24.339 -9.748 1.00 0.00 C ATOM 35 CG2 VAL A 3 -29.334 22.222 -9.069 1.00 0.00 C ATOM 0 H VAL A 3 -25.541 23.163 -9.582 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.235 21.018 -10.106 1.00 0.00 H new ATOM 0 HB VAL A 3 -27.360 22.882 -8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -28.826 24.831 -8.974 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -27.285 24.857 -9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -28.783 24.367 -10.691 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -29.887 22.820 -8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -29.904 22.156 -9.996 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -29.176 21.221 -8.668 1.00 0.00 H new ATOM 45 N GLU A 4 -27.078 22.946 -12.701 1.00 0.00 N ATOM 46 CA GLU A 4 -27.337 22.906 -14.148 1.00 0.00 C ATOM 47 C GLU A 4 -27.232 21.483 -14.743 1.00 0.00 C ATOM 48 O GLU A 4 -28.048 21.105 -15.577 1.00 0.00 O ATOM 49 CB GLU A 4 -26.421 23.923 -14.863 1.00 0.00 C ATOM 50 CG GLU A 4 -24.899 23.657 -14.758 1.00 0.00 C ATOM 51 CD GLU A 4 -24.051 24.846 -14.259 1.00 0.00 C ATOM 52 OE1 GLU A 4 -22.941 24.620 -13.728 1.00 0.00 O ATOM 53 OE2 GLU A 4 -24.489 26.020 -14.247 1.00 0.00 O ATOM 0 H GLU A 4 -26.365 23.626 -12.439 1.00 0.00 H new ATOM 0 HA GLU A 4 -28.374 23.197 -14.317 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -26.693 23.948 -15.918 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -26.625 24.914 -14.457 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -24.741 22.813 -14.087 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -24.531 23.357 -15.739 1.00 0.00 H new ATOM 60 N GLN A 5 -26.333 20.630 -14.241 1.00 0.00 N ATOM 61 CA GLN A 5 -26.237 19.209 -14.619 1.00 0.00 C ATOM 62 C GLN A 5 -27.366 18.336 -14.036 1.00 0.00 C ATOM 63 O GLN A 5 -27.611 17.232 -14.521 1.00 0.00 O ATOM 64 CB GLN A 5 -24.876 18.650 -14.172 1.00 0.00 C ATOM 65 CG GLN A 5 -23.684 19.435 -14.753 1.00 0.00 C ATOM 66 CD GLN A 5 -22.311 18.898 -14.359 1.00 0.00 C ATOM 67 OE1 GLN A 5 -21.281 19.371 -14.801 1.00 0.00 O ATOM 68 NE2 GLN A 5 -22.195 17.897 -13.516 1.00 0.00 N ATOM 0 H GLN A 5 -25.638 20.909 -13.548 1.00 0.00 H new ATOM 0 HA GLN A 5 -26.340 19.169 -15.703 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -24.821 18.669 -13.084 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -24.800 17.606 -14.477 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -23.761 19.433 -15.840 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -23.759 20.473 -14.430 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -23.029 17.466 -13.118 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.270 17.551 -13.260 1.00 0.00 H new ATOM 77 N CYS A 6 -28.057 18.811 -12.999 1.00 0.00 N ATOM 78 CA CYS A 6 -29.272 18.185 -12.474 1.00 0.00 C ATOM 79 C CYS A 6 -30.547 18.662 -13.187 1.00 0.00 C ATOM 80 O CYS A 6 -31.598 18.043 -13.029 1.00 0.00 O ATOM 81 CB CYS A 6 -29.362 18.431 -10.969 1.00 0.00 C ATOM 82 SG CYS A 6 -27.988 17.778 -9.983 1.00 0.00 S ATOM 0 H CYS A 6 -27.785 19.654 -12.493 1.00 0.00 H new ATOM 0 HA CYS A 6 -29.202 17.115 -12.668 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -29.429 19.505 -10.798 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -30.290 17.991 -10.602 1.00 0.00 H new ATOM 87 N CYS A 7 -30.467 19.704 -14.013 1.00 0.00 N ATOM 88 CA CYS A 7 -31.475 20.065 -15.010 1.00 0.00 C ATOM 89 C CYS A 7 -31.330 19.192 -16.282 1.00 0.00 C ATOM 90 O CYS A 7 -31.538 19.663 -17.396 1.00 0.00 O ATOM 91 CB CYS A 7 -31.335 21.568 -15.290 1.00 0.00 C ATOM 92 SG CYS A 7 -31.278 22.604 -13.793 1.00 0.00 S ATOM 0 H CYS A 7 -29.671 20.342 -14.007 1.00 0.00 H new ATOM 0 HA CYS A 7 -32.481 19.871 -14.639 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -30.427 21.735 -15.869 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -32.172 21.890 -15.910 1.00 0.00 H new ATOM 97 N ALA A 8 -30.892 17.940 -16.107 1.00 0.00 N ATOM 98 CA ALA A 8 -30.520 16.970 -17.136 1.00 0.00 C ATOM 99 C ALA A 8 -30.487 15.538 -16.537 1.00 0.00 C ATOM 100 O ALA A 8 -31.143 15.260 -15.532 1.00 0.00 O ATOM 101 CB ALA A 8 -29.165 17.406 -17.729 1.00 0.00 C ATOM 0 H ALA A 8 -30.781 17.552 -15.170 1.00 0.00 H new ATOM 0 HA ALA A 8 -31.256 16.943 -17.940 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -28.861 16.699 -18.501 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -29.262 18.400 -18.165 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.413 17.427 -16.941 1.00 0.00 H new ATOM 107 N SER A 9 -29.755 14.612 -17.168 1.00 0.00 N ATOM 108 CA SER A 9 -29.786 13.159 -16.930 1.00 0.00 C ATOM 109 C SER A 9 -29.357 12.690 -15.520 1.00 0.00 C ATOM 110 O SER A 9 -28.259 12.169 -15.336 1.00 0.00 O ATOM 111 CB SER A 9 -28.934 12.467 -18.005 1.00 0.00 C ATOM 112 OG SER A 9 -29.350 12.880 -19.297 1.00 0.00 O ATOM 0 H SER A 9 -29.089 14.867 -17.897 1.00 0.00 H new ATOM 0 HA SER A 9 -30.836 12.872 -16.992 1.00 0.00 H new ATOM 0 HB2 SER A 9 -27.882 12.710 -17.858 1.00 0.00 H new ATOM 0 HB3 SER A 9 -29.027 11.385 -17.913 1.00 0.00 H new ATOM 0 HG SER A 9 -28.800 12.435 -19.975 1.00 0.00 H new ATOM 118 N VAL A 10 -30.264 12.776 -14.540 1.00 0.00 N ATOM 119 CA VAL A 10 -30.260 11.984 -13.285 1.00 0.00 C ATOM 120 C VAL A 10 -28.971 12.137 -12.436 1.00 0.00 C ATOM 121 O VAL A 10 -28.483 11.166 -11.860 1.00 0.00 O ATOM 122 CB VAL A 10 -30.680 10.507 -13.562 1.00 0.00 C ATOM 123 CG1 VAL A 10 -31.051 9.698 -12.302 1.00 0.00 C ATOM 124 CG2 VAL A 10 -31.930 10.432 -14.454 1.00 0.00 C ATOM 0 H VAL A 10 -31.053 13.420 -14.592 1.00 0.00 H new ATOM 0 HA VAL A 10 -31.023 12.413 -12.636 1.00 0.00 H new ATOM 0 HB VAL A 10 -29.792 10.084 -14.031 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -31.330 8.684 -12.590 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -30.195 9.662 -11.628 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -31.891 10.176 -11.797 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -32.193 9.388 -14.625 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -32.760 10.939 -13.961 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -31.725 10.916 -15.409 1.00 0.00 H new ATOM 134 N CYS A 11 -28.437 13.361 -12.316 1.00 0.00 N ATOM 135 CA CYS A 11 -27.143 13.737 -11.693 1.00 0.00 C ATOM 136 C CYS A 11 -26.733 13.006 -10.384 1.00 0.00 C ATOM 137 O CYS A 11 -27.583 12.533 -9.630 1.00 0.00 O ATOM 138 CB CYS A 11 -27.173 15.250 -11.440 1.00 0.00 C ATOM 139 SG CYS A 11 -28.262 15.765 -10.082 1.00 0.00 S ATOM 0 H CYS A 11 -28.928 14.180 -12.676 1.00 0.00 H new ATOM 0 HA CYS A 11 -26.382 13.419 -12.405 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -26.160 15.590 -11.225 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -27.491 15.752 -12.354 1.00 0.00 H new ATOM 144 N SER A 12 -25.428 12.922 -10.081 1.00 0.00 N ATOM 145 CA SER A 12 -24.881 12.139 -8.946 1.00 0.00 C ATOM 146 C SER A 12 -24.434 12.984 -7.735 1.00 0.00 C ATOM 147 O SER A 12 -24.104 14.158 -7.895 1.00 0.00 O ATOM 148 CB SER A 12 -23.755 11.230 -9.439 1.00 0.00 C ATOM 149 OG SER A 12 -23.353 10.361 -8.401 1.00 0.00 O ATOM 0 H SER A 12 -24.707 13.401 -10.621 1.00 0.00 H new ATOM 0 HA SER A 12 -25.706 11.536 -8.566 1.00 0.00 H new ATOM 0 HB2 SER A 12 -24.092 10.652 -10.300 1.00 0.00 H new ATOM 0 HB3 SER A 12 -22.909 11.831 -9.771 1.00 0.00 H new ATOM 0 HG SER A 12 -22.633 9.779 -8.722 1.00 0.00 H new ATOM 155 N LEU A 13 -24.412 12.378 -6.539 1.00 0.00 N ATOM 156 CA LEU A 13 -24.319 13.039 -5.227 1.00 0.00 C ATOM 157 C LEU A 13 -23.152 14.026 -5.098 1.00 0.00 C ATOM 158 O LEU A 13 -23.370 15.144 -4.633 1.00 0.00 O ATOM 159 CB LEU A 13 -24.216 11.992 -4.103 1.00 0.00 C ATOM 160 CG LEU A 13 -25.461 11.111 -3.899 1.00 0.00 C ATOM 161 CD1 LEU A 13 -25.494 9.883 -4.820 1.00 0.00 C ATOM 162 CD2 LEU A 13 -25.517 10.614 -2.455 1.00 0.00 C ATOM 0 H LEU A 13 -24.461 11.363 -6.455 1.00 0.00 H new ATOM 0 HA LEU A 13 -25.236 13.621 -5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -23.365 11.344 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -24.002 12.509 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 13 -26.317 11.741 -4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -26.398 9.306 -4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -25.489 10.208 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -24.618 9.262 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -26.401 9.991 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -24.624 10.029 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -25.566 11.467 -1.778 1.00 0.00 H new ATOM 174 N TYR A 14 -21.966 13.666 -5.598 1.00 0.00 N ATOM 175 CA TYR A 14 -20.762 14.500 -5.531 1.00 0.00 C ATOM 176 C TYR A 14 -20.960 15.912 -6.106 1.00 0.00 C ATOM 177 O TYR A 14 -20.348 16.870 -5.642 1.00 0.00 O ATOM 178 CB TYR A 14 -19.635 13.792 -6.295 1.00 0.00 C ATOM 179 CG TYR A 14 -19.430 12.335 -5.922 1.00 0.00 C ATOM 180 CD1 TYR A 14 -18.971 12.004 -4.633 1.00 0.00 C ATOM 181 CD2 TYR A 14 -19.716 11.311 -6.850 1.00 0.00 C ATOM 182 CE1 TYR A 14 -18.764 10.660 -4.276 1.00 0.00 C ATOM 183 CE2 TYR A 14 -19.515 9.963 -6.493 1.00 0.00 C ATOM 184 CZ TYR A 14 -19.031 9.636 -5.208 1.00 0.00 C ATOM 185 OH TYR A 14 -18.837 8.335 -4.873 1.00 0.00 O ATOM 0 H TYR A 14 -21.813 12.774 -6.068 1.00 0.00 H new ATOM 0 HA TYR A 14 -20.514 14.628 -4.477 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -19.845 13.853 -7.363 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -18.704 14.331 -6.122 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -18.777 12.787 -3.915 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -20.088 11.560 -7.833 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -18.401 10.412 -3.289 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -19.732 9.179 -7.203 1.00 0.00 H new ATOM 0 HH TYR A 14 -19.072 7.763 -5.633 1.00 0.00 H new ATOM 195 N GLN A 15 -21.844 16.052 -7.101 1.00 0.00 N ATOM 196 CA GLN A 15 -22.187 17.329 -7.739 1.00 0.00 C ATOM 197 C GLN A 15 -22.971 18.256 -6.783 1.00 0.00 C ATOM 198 O GLN A 15 -23.006 19.463 -6.984 1.00 0.00 O ATOM 199 CB GLN A 15 -22.962 17.060 -9.051 1.00 0.00 C ATOM 200 CG GLN A 15 -22.196 16.124 -10.018 1.00 0.00 C ATOM 201 CD GLN A 15 -22.944 15.734 -11.297 1.00 0.00 C ATOM 202 OE1 GLN A 15 -23.890 16.357 -11.750 1.00 0.00 O ATOM 203 NE2 GLN A 15 -22.518 14.685 -11.967 1.00 0.00 N ATOM 0 H GLN A 15 -22.353 15.261 -7.495 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.265 17.857 -7.983 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -23.929 16.616 -8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -23.161 18.008 -9.551 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -21.261 16.609 -10.299 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.933 15.213 -9.480 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -21.729 14.142 -11.616 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.977 14.415 -12.837 1.00 0.00 H new ATOM 212 N LEU A 16 -23.572 17.711 -5.723 1.00 0.00 N ATOM 213 CA LEU A 16 -24.177 18.461 -4.618 1.00 0.00 C ATOM 214 C LEU A 16 -23.168 18.682 -3.479 1.00 0.00 C ATOM 215 O LEU A 16 -23.048 19.802 -2.981 1.00 0.00 O ATOM 216 CB LEU A 16 -25.433 17.723 -4.114 1.00 0.00 C ATOM 217 CG LEU A 16 -26.448 17.334 -5.204 1.00 0.00 C ATOM 218 CD1 LEU A 16 -27.621 16.605 -4.549 1.00 0.00 C ATOM 219 CD2 LEU A 16 -26.999 18.538 -5.971 1.00 0.00 C ATOM 0 H LEU A 16 -23.654 16.701 -5.606 1.00 0.00 H new ATOM 0 HA LEU A 16 -24.472 19.445 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -25.119 16.818 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -25.936 18.354 -3.381 1.00 0.00 H new ATOM 0 HG LEU A 16 -25.922 16.701 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -28.347 16.324 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -27.258 15.708 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.096 17.262 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -27.709 18.196 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -27.503 19.212 -5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -26.179 19.065 -6.458 1.00 0.00 H new ATOM 231 N GLU A 17 -22.411 17.647 -3.089 1.00 0.00 N ATOM 232 CA GLU A 17 -21.386 17.719 -2.026 1.00 0.00 C ATOM 233 C GLU A 17 -20.367 18.851 -2.282 1.00 0.00 C ATOM 234 O GLU A 17 -20.048 19.634 -1.386 1.00 0.00 O ATOM 235 CB GLU A 17 -20.652 16.369 -1.913 1.00 0.00 C ATOM 236 CG GLU A 17 -21.556 15.202 -1.480 1.00 0.00 C ATOM 237 CD GLU A 17 -20.908 13.843 -1.793 1.00 0.00 C ATOM 238 OE1 GLU A 17 -21.526 13.068 -2.561 1.00 0.00 O ATOM 239 OE2 GLU A 17 -19.778 13.603 -1.311 1.00 0.00 O ATOM 0 H GLU A 17 -22.491 16.720 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.897 17.941 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.203 16.129 -2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.836 16.469 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.757 15.273 -0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -22.516 15.275 -1.991 1.00 0.00 H new ATOM 246 N ASN A 18 -19.962 19.010 -3.547 1.00 0.00 N ATOM 247 CA ASN A 18 -19.068 20.057 -4.065 1.00 0.00 C ATOM 248 C ASN A 18 -19.690 21.480 -4.080 1.00 0.00 C ATOM 249 O ASN A 18 -19.110 22.382 -4.683 1.00 0.00 O ATOM 250 CB ASN A 18 -18.626 19.588 -5.472 1.00 0.00 C ATOM 251 CG ASN A 18 -17.351 20.221 -6.010 1.00 0.00 C ATOM 252 OD1 ASN A 18 -16.273 19.659 -5.953 1.00 0.00 O ATOM 253 ND2 ASN A 18 -17.409 21.399 -6.580 1.00 0.00 N ATOM 0 H ASN A 18 -20.267 18.373 -4.283 1.00 0.00 H new ATOM 0 HA ASN A 18 -18.215 20.173 -3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -18.490 18.507 -5.448 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -19.435 19.792 -6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.564 21.823 -6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.300 21.892 -6.642 1.00 0.00 H new ATOM 260 N TYR A 19 -20.881 21.701 -3.509 1.00 0.00 N ATOM 261 CA TYR A 19 -21.589 22.999 -3.477 1.00 0.00 C ATOM 262 C TYR A 19 -22.060 23.419 -2.066 1.00 0.00 C ATOM 263 O TYR A 19 -22.462 24.573 -1.883 1.00 0.00 O ATOM 264 CB TYR A 19 -22.735 23.012 -4.516 1.00 0.00 C ATOM 265 CG TYR A 19 -22.367 23.688 -5.835 1.00 0.00 C ATOM 266 CD1 TYR A 19 -23.003 24.881 -6.228 1.00 0.00 C ATOM 267 CD2 TYR A 19 -21.361 23.145 -6.656 1.00 0.00 C ATOM 268 CE1 TYR A 19 -22.602 25.550 -7.404 1.00 0.00 C ATOM 269 CE2 TYR A 19 -20.935 23.820 -7.817 1.00 0.00 C ATOM 270 CZ TYR A 19 -21.550 25.031 -8.187 1.00 0.00 C ATOM 271 OH TYR A 19 -21.163 25.676 -9.319 1.00 0.00 O ATOM 0 H TYR A 19 -21.401 20.960 -3.039 1.00 0.00 H new ATOM 0 HA TYR A 19 -20.864 23.763 -3.758 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -23.041 21.985 -4.718 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -23.597 23.522 -4.086 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -23.803 25.287 -5.626 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -20.910 22.200 -6.393 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -23.101 26.460 -7.704 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.139 23.410 -8.421 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.367 26.216 -9.132 1.00 0.00 H new ATOM 281 N CYS A 20 -21.951 22.530 -1.071 1.00 0.00 N ATOM 282 CA CYS A 20 -21.860 22.904 0.347 1.00 0.00 C ATOM 283 C CYS A 20 -20.482 23.533 0.665 1.00 0.00 C ATOM 284 O CYS A 20 -19.613 23.590 -0.207 1.00 0.00 O ATOM 285 CB CYS A 20 -22.122 21.656 1.203 1.00 0.00 C ATOM 286 SG CYS A 20 -22.376 22.013 2.963 1.00 0.00 S ATOM 0 H CYS A 20 -21.923 21.523 -1.228 1.00 0.00 H new ATOM 0 HA CYS A 20 -22.612 23.659 0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -23.001 21.140 0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -21.279 20.972 1.099 1.00 0.00 H new ATOM 291 N ASN A 21 -20.269 24.004 1.900 1.00 0.00 N ATOM 292 CA ASN A 21 -18.986 24.516 2.397 1.00 0.00 C ATOM 293 C ASN A 21 -18.777 24.152 3.866 1.00 0.00 C ATOM 294 O ASN A 21 -17.637 23.767 4.192 1.00 0.00 O ATOM 295 CB ASN A 21 -18.920 26.030 2.100 1.00 0.00 C ATOM 296 CG ASN A 21 -17.573 26.718 2.280 1.00 0.00 C ATOM 297 OD1 ASN A 21 -16.622 26.114 2.950 1.00 0.00 O flip ATOM 298 ND2 ASN A 21 -17.364 27.815 1.787 1.00 0.00 N flip ATOM 299 OXT ASN A 21 -19.740 24.127 4.656 1.00 0.00 O ATOM 0 H ASN A 21 -21.008 24.040 2.603 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.151 24.043 1.879 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -19.244 26.187 1.071 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -19.644 26.532 2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -18.101 28.288 1.265 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -16.452 28.258 1.897 1.00 0.00 H new ATOM 307 N PHE B 1 -29.646 10.801 -9.197 1.00 0.00 N ATOM 308 CA PHE B 1 -29.577 10.629 -7.730 1.00 0.00 C ATOM 309 C PHE B 1 -30.982 10.654 -7.166 1.00 0.00 C ATOM 310 O PHE B 1 -31.529 9.580 -6.971 1.00 0.00 O ATOM 311 CB PHE B 1 -28.645 11.627 -7.022 1.00 0.00 C ATOM 312 CG PHE B 1 -28.787 11.697 -5.511 1.00 0.00 C ATOM 313 CD1 PHE B 1 -28.987 10.531 -4.742 1.00 0.00 C ATOM 314 CD2 PHE B 1 -28.736 12.951 -4.872 1.00 0.00 C ATOM 315 CE1 PHE B 1 -29.146 10.625 -3.348 1.00 0.00 C ATOM 316 CE2 PHE B 1 -28.877 13.040 -3.475 1.00 0.00 C ATOM 317 CZ PHE B 1 -29.081 11.877 -2.714 1.00 0.00 C ATOM 0 H1 PHE B 1 -29.305 9.937 -9.664 1.00 0.00 H new ATOM 0 H2 PHE B 1 -30.630 10.982 -9.479 1.00 0.00 H new ATOM 0 H3 PHE B 1 -29.051 11.605 -9.481 1.00 0.00 H new ATOM 0 HA PHE B 1 -29.120 9.659 -7.532 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -27.614 11.366 -7.261 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -28.826 12.620 -7.433 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -29.018 9.565 -5.225 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -28.588 13.847 -5.456 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -29.318 9.733 -2.764 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -28.828 14.003 -2.988 1.00 0.00 H new ATOM 0 HZ PHE B 1 -29.188 11.945 -1.641 1.00 0.00 H new ATOM 329 N VAL B 2 -31.585 11.837 -6.990 1.00 0.00 N ATOM 330 CA VAL B 2 -33.035 11.952 -6.768 1.00 0.00 C ATOM 331 C VAL B 2 -33.791 11.414 -7.999 1.00 0.00 C ATOM 332 O VAL B 2 -33.209 11.311 -9.083 1.00 0.00 O ATOM 333 CB VAL B 2 -33.399 13.403 -6.378 1.00 0.00 C ATOM 334 CG1 VAL B 2 -33.637 14.331 -7.575 1.00 0.00 C ATOM 335 CG2 VAL B 2 -34.613 13.438 -5.448 1.00 0.00 C ATOM 0 H VAL B 2 -31.092 12.730 -6.997 1.00 0.00 H new ATOM 0 HA VAL B 2 -33.348 11.335 -5.926 1.00 0.00 H new ATOM 0 HB VAL B 2 -32.522 13.785 -5.855 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -33.887 15.330 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -32.734 14.379 -8.183 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -34.460 13.945 -8.177 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -34.845 14.472 -5.191 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -35.469 12.988 -5.950 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -34.391 12.879 -4.539 1.00 0.00 H new ATOM 345 N ASN B 3 -35.047 11.011 -7.830 1.00 0.00 N ATOM 346 CA ASN B 3 -35.791 10.187 -8.791 1.00 0.00 C ATOM 347 C ASN B 3 -36.442 10.957 -9.960 1.00 0.00 C ATOM 348 O ASN B 3 -37.106 10.343 -10.792 1.00 0.00 O ATOM 349 CB ASN B 3 -36.819 9.352 -8.001 1.00 0.00 C ATOM 350 CG ASN B 3 -36.178 8.595 -6.853 1.00 0.00 C ATOM 351 OD1 ASN B 3 -36.095 9.073 -5.737 1.00 0.00 O ATOM 352 ND2 ASN B 3 -35.647 7.419 -7.095 1.00 0.00 N ATOM 0 H ASN B 3 -35.593 11.252 -7.003 1.00 0.00 H new ATOM 0 HA ASN B 3 -35.071 9.545 -9.298 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -37.597 10.009 -7.612 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -37.305 8.646 -8.674 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -35.169 6.912 -6.350 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -35.713 7.012 -8.028 1.00 0.00 H new ATOM 359 N GLN B 4 -36.260 12.276 -10.034 1.00 0.00 N ATOM 360 CA GLN B 4 -36.949 13.171 -10.961 1.00 0.00 C ATOM 361 C GLN B 4 -36.030 14.314 -11.414 1.00 0.00 C ATOM 362 O GLN B 4 -35.291 14.882 -10.612 1.00 0.00 O ATOM 363 CB GLN B 4 -38.267 13.676 -10.327 1.00 0.00 C ATOM 364 CG GLN B 4 -38.176 14.707 -9.178 1.00 0.00 C ATOM 365 CD GLN B 4 -37.695 14.177 -7.826 1.00 0.00 C ATOM 366 OE1 GLN B 4 -37.453 13.002 -7.602 1.00 0.00 O ATOM 367 NE2 GLN B 4 -37.526 15.040 -6.856 1.00 0.00 N ATOM 0 H GLN B 4 -35.604 12.767 -9.427 1.00 0.00 H new ATOM 0 HA GLN B 4 -37.212 12.619 -11.863 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -38.872 14.114 -11.121 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -38.811 12.808 -9.954 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -37.505 15.508 -9.490 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -39.161 15.152 -9.040 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -37.720 16.029 -7.014 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -37.200 14.723 -5.943 1.00 0.00 H new ATOM 376 N HIS B 5 -36.104 14.678 -12.697 1.00 0.00 N ATOM 377 CA HIS B 5 -35.253 15.684 -13.365 1.00 0.00 C ATOM 378 C HIS B 5 -35.604 17.145 -12.999 1.00 0.00 C ATOM 379 O HIS B 5 -35.532 18.049 -13.833 1.00 0.00 O ATOM 380 CB HIS B 5 -35.289 15.454 -14.892 1.00 0.00 C ATOM 381 CG HIS B 5 -35.368 14.005 -15.315 1.00 0.00 C ATOM 382 ND1 HIS B 5 -34.406 13.024 -15.070 1.00 0.00 N ATOM 383 CD2 HIS B 5 -36.431 13.431 -15.952 1.00 0.00 C ATOM 384 CE1 HIS B 5 -34.905 11.887 -15.582 1.00 0.00 C ATOM 385 NE2 HIS B 5 -36.120 12.100 -16.113 1.00 0.00 N ATOM 0 H HIS B 5 -36.787 14.265 -13.332 1.00 0.00 H new ATOM 0 HA HIS B 5 -34.237 15.543 -12.996 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -36.147 15.985 -15.305 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -34.397 15.898 -15.333 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -37.338 13.925 -16.268 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -34.399 10.933 -15.569 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -36.710 11.397 -16.558 1.00 0.00 H new ATOM 393 N LEU B 6 -36.096 17.387 -11.779 1.00 0.00 N ATOM 394 CA LEU B 6 -36.690 18.668 -11.383 1.00 0.00 C ATOM 395 C LEU B 6 -35.605 19.687 -10.995 1.00 0.00 C ATOM 396 O LEU B 6 -35.223 19.834 -9.834 1.00 0.00 O ATOM 397 CB LEU B 6 -37.773 18.427 -10.315 1.00 0.00 C ATOM 398 CG LEU B 6 -38.826 19.540 -10.116 1.00 0.00 C ATOM 399 CD1 LEU B 6 -38.264 20.867 -9.612 1.00 0.00 C ATOM 400 CD2 LEU B 6 -39.628 19.819 -11.390 1.00 0.00 C ATOM 0 H LEU B 6 -36.093 16.692 -11.032 1.00 0.00 H new ATOM 0 HA LEU B 6 -37.200 19.128 -12.229 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -38.298 17.506 -10.568 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -37.275 18.258 -9.360 1.00 0.00 H new ATOM 0 HG LEU B 6 -39.473 19.132 -9.339 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -39.075 21.587 -9.502 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -37.781 20.714 -8.647 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -37.534 21.248 -10.327 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -40.354 20.609 -11.197 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -38.951 20.134 -12.184 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -40.150 18.913 -11.697 1.00 0.00 H new ATOM 412 N CYS B 7 -35.146 20.399 -12.022 1.00 0.00 N ATOM 413 CA CYS B 7 -34.122 21.439 -11.996 1.00 0.00 C ATOM 414 C CYS B 7 -34.232 22.420 -10.808 1.00 0.00 C ATOM 415 O CYS B 7 -35.307 22.927 -10.486 1.00 0.00 O ATOM 416 CB CYS B 7 -34.247 22.169 -13.341 1.00 0.00 C ATOM 417 SG CYS B 7 -33.089 23.515 -13.683 1.00 0.00 S ATOM 0 H CYS B 7 -35.508 20.252 -12.964 1.00 0.00 H new ATOM 0 HA CYS B 7 -33.143 20.982 -11.853 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -34.143 21.429 -14.134 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -35.258 22.571 -13.411 1.00 0.00 H new ATOM 422 N GLY B 8 -33.100 22.727 -10.169 1.00 0.00 N ATOM 423 CA GLY B 8 -33.014 23.742 -9.115 1.00 0.00 C ATOM 424 C GLY B 8 -33.530 23.267 -7.752 1.00 0.00 C ATOM 425 O GLY B 8 -32.762 22.707 -6.973 1.00 0.00 O ATOM 0 H GLY B 8 -32.209 22.274 -10.371 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -31.975 24.056 -9.010 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -33.583 24.620 -9.422 1.00 0.00 H new ATOM 429 N SER B 9 -34.798 23.538 -7.430 1.00 0.00 N ATOM 430 CA SER B 9 -35.304 23.524 -6.044 1.00 0.00 C ATOM 431 C SER B 9 -35.255 22.164 -5.348 1.00 0.00 C ATOM 432 O SER B 9 -34.757 22.099 -4.229 1.00 0.00 O ATOM 433 CB SER B 9 -36.731 24.067 -5.977 1.00 0.00 C ATOM 434 OG SER B 9 -36.760 25.367 -6.539 1.00 0.00 O ATOM 0 H SER B 9 -35.509 23.775 -8.122 1.00 0.00 H new ATOM 0 HA SER B 9 -34.615 24.171 -5.501 1.00 0.00 H new ATOM 0 HB2 SER B 9 -37.410 23.408 -6.519 1.00 0.00 H new ATOM 0 HB3 SER B 9 -37.074 24.097 -4.943 1.00 0.00 H new ATOM 0 HG SER B 9 -37.673 25.720 -6.500 1.00 0.00 H new ATOM 440 N HIS B 10 -35.640 21.071 -6.020 1.00 0.00 N ATOM 441 CA HIS B 10 -35.536 19.721 -5.429 1.00 0.00 C ATOM 442 C HIS B 10 -34.083 19.326 -5.111 1.00 0.00 C ATOM 443 O HIS B 10 -33.841 18.476 -4.256 1.00 0.00 O ATOM 444 CB HIS B 10 -36.202 18.670 -6.339 1.00 0.00 C ATOM 445 CG HIS B 10 -37.714 18.703 -6.396 1.00 0.00 C ATOM 446 ND1 HIS B 10 -38.508 17.782 -7.090 1.00 0.00 N ATOM 447 CD2 HIS B 10 -38.540 19.557 -5.725 1.00 0.00 C ATOM 448 CE1 HIS B 10 -39.782 18.100 -6.810 1.00 0.00 C ATOM 449 NE2 HIS B 10 -39.829 19.168 -5.999 1.00 0.00 N ATOM 0 H HIS B 10 -36.024 21.089 -6.965 1.00 0.00 H new ATOM 0 HA HIS B 10 -36.071 19.751 -4.480 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -35.817 18.799 -7.351 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -35.893 17.680 -6.004 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -38.238 20.382 -5.097 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -40.646 17.571 -7.184 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -40.676 19.614 -5.647 1.00 0.00 H new ATOM 457 N LEU B 11 -33.103 19.960 -5.764 1.00 0.00 N ATOM 458 CA LEU B 11 -31.679 19.794 -5.470 1.00 0.00 C ATOM 459 C LEU B 11 -31.181 20.753 -4.376 1.00 0.00 C ATOM 460 O LEU B 11 -30.264 20.394 -3.646 1.00 0.00 O ATOM 461 CB LEU B 11 -30.845 19.933 -6.751 1.00 0.00 C ATOM 462 CG LEU B 11 -31.070 18.896 -7.868 1.00 0.00 C ATOM 463 CD1 LEU B 11 -30.968 17.452 -7.376 1.00 0.00 C ATOM 464 CD2 LEU B 11 -32.378 19.063 -8.647 1.00 0.00 C ATOM 0 H LEU B 11 -33.283 20.615 -6.525 1.00 0.00 H new ATOM 0 HA LEU B 11 -31.550 18.786 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -31.034 20.922 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -29.792 19.901 -6.471 1.00 0.00 H new ATOM 0 HG LEU B 11 -30.250 19.103 -8.556 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -31.136 16.771 -8.210 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -29.975 17.279 -6.960 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -31.720 17.276 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -32.448 18.289 -9.411 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -33.222 18.975 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -32.396 20.044 -9.122 1.00 0.00 H new ATOM 476 N VAL B 12 -31.797 21.928 -4.200 1.00 0.00 N ATOM 477 CA VAL B 12 -31.627 22.770 -2.995 1.00 0.00 C ATOM 478 C VAL B 12 -32.144 22.025 -1.761 1.00 0.00 C ATOM 479 O VAL B 12 -31.466 21.986 -0.738 1.00 0.00 O ATOM 480 CB VAL B 12 -32.306 24.149 -3.159 1.00 0.00 C ATOM 481 CG1 VAL B 12 -32.275 24.995 -1.877 1.00 0.00 C ATOM 482 CG2 VAL B 12 -31.602 24.963 -4.253 1.00 0.00 C ATOM 0 H VAL B 12 -32.432 22.330 -4.890 1.00 0.00 H new ATOM 0 HA VAL B 12 -30.563 22.965 -2.858 1.00 0.00 H new ATOM 0 HB VAL B 12 -33.343 23.935 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -32.768 25.950 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -32.795 24.465 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -31.241 25.171 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -32.091 25.932 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -30.557 25.111 -3.981 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -31.657 24.425 -5.199 1.00 0.00 H new ATOM 492 N GLU B 13 -33.281 21.339 -1.872 1.00 0.00 N ATOM 493 CA GLU B 13 -33.775 20.423 -0.837 1.00 0.00 C ATOM 494 C GLU B 13 -32.822 19.222 -0.641 1.00 0.00 C ATOM 495 O GLU B 13 -32.409 18.947 0.488 1.00 0.00 O ATOM 496 CB GLU B 13 -35.228 20.021 -1.159 1.00 0.00 C ATOM 497 CG GLU B 13 -36.193 21.212 -0.957 1.00 0.00 C ATOM 498 CD GLU B 13 -37.504 21.090 -1.752 1.00 0.00 C ATOM 499 OE1 GLU B 13 -37.437 21.124 -3.001 1.00 0.00 O ATOM 500 OE2 GLU B 13 -38.577 20.996 -1.114 1.00 0.00 O ATOM 0 H GLU B 13 -33.891 21.402 -2.687 1.00 0.00 H new ATOM 0 HA GLU B 13 -33.788 20.930 0.128 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -35.291 19.668 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -35.530 19.192 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -36.429 21.301 0.103 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -35.686 22.132 -1.249 1.00 0.00 H new ATOM 507 N ALA B 14 -32.352 18.569 -1.714 1.00 0.00 N ATOM 508 CA ALA B 14 -31.341 17.508 -1.605 1.00 0.00 C ATOM 509 C ALA B 14 -30.011 17.977 -0.976 1.00 0.00 C ATOM 510 O ALA B 14 -29.369 17.208 -0.265 1.00 0.00 O ATOM 511 CB ALA B 14 -31.101 16.885 -2.985 1.00 0.00 C ATOM 0 H ALA B 14 -32.657 18.758 -2.669 1.00 0.00 H new ATOM 0 HA ALA B 14 -31.740 16.760 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -30.351 16.098 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -32.033 16.461 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -30.748 17.652 -3.674 1.00 0.00 H new ATOM 517 N LEU B 15 -29.602 19.231 -1.189 1.00 0.00 N ATOM 518 CA LEU B 15 -28.408 19.828 -0.579 1.00 0.00 C ATOM 519 C LEU B 15 -28.526 19.925 0.958 1.00 0.00 C ATOM 520 O LEU B 15 -27.554 19.636 1.659 1.00 0.00 O ATOM 521 CB LEU B 15 -28.136 21.196 -1.241 1.00 0.00 C ATOM 522 CG LEU B 15 -27.368 21.122 -2.574 1.00 0.00 C ATOM 523 CD1 LEU B 15 -27.564 22.384 -3.423 1.00 0.00 C ATOM 524 CD2 LEU B 15 -25.872 21.028 -2.298 1.00 0.00 C ATOM 0 H LEU B 15 -30.102 19.874 -1.803 1.00 0.00 H new ATOM 0 HA LEU B 15 -27.552 19.178 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -29.088 21.697 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -27.571 21.816 -0.545 1.00 0.00 H new ATOM 0 HG LEU B 15 -27.750 20.250 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -27.004 22.287 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -28.623 22.510 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -27.204 23.253 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -25.330 20.976 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -25.549 21.908 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -25.666 20.133 -1.711 1.00 0.00 H new ATOM 536 N TYR B 16 -29.716 20.206 1.510 1.00 0.00 N ATOM 537 CA TYR B 16 -29.970 20.093 2.958 1.00 0.00 C ATOM 538 C TYR B 16 -29.890 18.647 3.463 1.00 0.00 C ATOM 539 O TYR B 16 -29.353 18.420 4.546 1.00 0.00 O ATOM 540 CB TYR B 16 -31.340 20.677 3.334 1.00 0.00 C ATOM 541 CG TYR B 16 -31.385 22.187 3.372 1.00 0.00 C ATOM 542 CD1 TYR B 16 -30.680 22.876 4.379 1.00 0.00 C ATOM 543 CD2 TYR B 16 -32.100 22.903 2.393 1.00 0.00 C ATOM 544 CE1 TYR B 16 -30.663 24.283 4.392 1.00 0.00 C ATOM 545 CE2 TYR B 16 -32.100 24.311 2.414 1.00 0.00 C ATOM 546 CZ TYR B 16 -31.377 25.001 3.407 1.00 0.00 C ATOM 547 OH TYR B 16 -31.350 26.357 3.390 1.00 0.00 O ATOM 0 H TYR B 16 -30.525 20.516 0.972 1.00 0.00 H new ATOM 0 HA TYR B 16 -29.180 20.668 3.441 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -32.082 20.321 2.619 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -31.630 20.292 4.312 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -30.152 22.323 5.142 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -32.647 22.373 1.627 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -30.106 24.812 5.152 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -32.654 24.862 1.669 1.00 0.00 H new ATOM 0 HH TYR B 16 -31.895 26.686 2.645 1.00 0.00 H new ATOM 557 N LEU B 17 -30.380 17.668 2.696 1.00 0.00 N ATOM 558 CA LEU B 17 -30.238 16.243 3.035 1.00 0.00 C ATOM 559 C LEU B 17 -28.773 15.763 2.979 1.00 0.00 C ATOM 560 O LEU B 17 -28.405 14.838 3.697 1.00 0.00 O ATOM 561 CB LEU B 17 -31.134 15.392 2.113 1.00 0.00 C ATOM 562 CG LEU B 17 -32.639 15.717 2.186 1.00 0.00 C ATOM 563 CD1 LEU B 17 -33.393 14.925 1.116 1.00 0.00 C ATOM 564 CD2 LEU B 17 -33.237 15.371 3.552 1.00 0.00 C ATOM 0 H LEU B 17 -30.885 17.837 1.826 1.00 0.00 H new ATOM 0 HA LEU B 17 -30.563 16.117 4.068 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -30.799 15.523 1.084 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -30.992 14.341 2.363 1.00 0.00 H new ATOM 0 HG LEU B 17 -32.743 16.790 2.022 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -34.456 15.159 1.172 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -33.014 15.194 0.130 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -33.247 13.858 1.283 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -34.299 15.617 3.557 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -33.110 14.306 3.745 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -32.728 15.944 4.327 1.00 0.00 H new ATOM 576 N VAL B 18 -27.937 16.404 2.156 1.00 0.00 N ATOM 577 CA VAL B 18 -26.490 16.134 2.028 1.00 0.00 C ATOM 578 C VAL B 18 -25.633 16.862 3.078 1.00 0.00 C ATOM 579 O VAL B 18 -24.606 16.327 3.490 1.00 0.00 O ATOM 580 CB VAL B 18 -26.037 16.464 0.585 1.00 0.00 C ATOM 581 CG1 VAL B 18 -24.518 16.543 0.381 1.00 0.00 C ATOM 582 CG2 VAL B 18 -26.555 15.397 -0.390 1.00 0.00 C ATOM 0 H VAL B 18 -28.253 17.151 1.538 1.00 0.00 H new ATOM 0 HA VAL B 18 -26.332 15.074 2.227 1.00 0.00 H new ATOM 0 HB VAL B 18 -26.453 17.454 0.395 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -24.303 16.779 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -24.105 17.322 1.022 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -24.066 15.585 0.637 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -26.230 15.640 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -26.159 14.422 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -27.644 15.371 -0.355 1.00 0.00 H new ATOM 592 N CYS B 19 -26.006 18.070 3.527 1.00 0.00 N ATOM 593 CA CYS B 19 -25.090 18.916 4.314 1.00 0.00 C ATOM 594 C CYS B 19 -25.707 19.732 5.471 1.00 0.00 C ATOM 595 O CYS B 19 -24.976 20.347 6.250 1.00 0.00 O ATOM 596 CB CYS B 19 -24.348 19.826 3.332 1.00 0.00 C ATOM 597 SG CYS B 19 -22.654 20.210 3.827 1.00 0.00 S ATOM 0 H CYS B 19 -26.925 18.481 3.362 1.00 0.00 H new ATOM 0 HA CYS B 19 -24.424 18.234 4.843 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -24.330 19.349 2.352 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -24.904 20.757 3.223 1.00 0.00 H new ATOM 602 N GLY B 20 -27.034 19.727 5.604 1.00 0.00 N ATOM 603 CA GLY B 20 -27.766 20.279 6.749 1.00 0.00 C ATOM 604 C GLY B 20 -27.494 21.756 7.061 1.00 0.00 C ATOM 605 O GLY B 20 -27.768 22.644 6.258 1.00 0.00 O ATOM 0 H GLY B 20 -27.650 19.326 4.897 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -28.834 20.155 6.568 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -27.522 19.689 7.632 1.00 0.00 H new ATOM 609 N GLU B 21 -26.998 21.999 8.272 1.00 0.00 N ATOM 610 CA GLU B 21 -26.881 23.296 8.952 1.00 0.00 C ATOM 611 C GLU B 21 -26.087 24.374 8.194 1.00 0.00 C ATOM 612 O GLU B 21 -26.406 25.558 8.281 1.00 0.00 O ATOM 613 CB GLU B 21 -26.207 22.953 10.288 1.00 0.00 C ATOM 614 CG GLU B 21 -25.966 24.115 11.258 1.00 0.00 C ATOM 615 CD GLU B 21 -25.376 23.630 12.594 1.00 0.00 C ATOM 616 OE1 GLU B 21 -25.069 22.418 12.709 1.00 0.00 O ATOM 617 OE2 GLU B 21 -25.248 24.478 13.502 1.00 0.00 O ATOM 0 H GLU B 21 -26.639 21.240 8.851 1.00 0.00 H new ATOM 0 HA GLU B 21 -27.866 23.752 9.048 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -26.819 22.208 10.796 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -25.246 22.484 10.074 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -25.288 24.835 10.801 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -26.906 24.635 11.443 1.00 0.00 H new ATOM 624 N ARG B 22 -25.066 23.961 7.434 1.00 0.00 N ATOM 625 CA ARG B 22 -23.989 24.820 6.896 1.00 0.00 C ATOM 626 C ARG B 22 -24.421 25.792 5.791 1.00 0.00 C ATOM 627 O ARG B 22 -23.718 26.763 5.519 1.00 0.00 O ATOM 628 CB ARG B 22 -22.869 23.896 6.384 1.00 0.00 C ATOM 629 CG ARG B 22 -22.176 23.142 7.535 1.00 0.00 C ATOM 630 CD ARG B 22 -21.547 21.815 7.094 1.00 0.00 C ATOM 631 NE ARG B 22 -20.338 21.997 6.268 1.00 0.00 N ATOM 632 CZ ARG B 22 -19.418 21.089 6.005 1.00 0.00 C ATOM 633 NH1 ARG B 22 -19.535 19.864 6.444 1.00 0.00 N ATOM 634 NH2 ARG B 22 -18.360 21.369 5.305 1.00 0.00 N ATOM 0 H ARG B 22 -24.957 22.984 7.163 1.00 0.00 H new ATOM 0 HA ARG B 22 -23.656 25.465 7.709 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -23.285 23.178 5.678 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -22.131 24.486 5.840 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -21.402 23.779 7.964 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -22.903 22.948 8.324 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -21.292 21.229 7.977 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -22.282 21.240 6.531 1.00 0.00 H new ATOM 0 HE ARG B 22 -20.199 22.921 5.858 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -20.348 19.597 7.000 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -18.814 19.175 6.231 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -18.223 22.312 4.942 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -17.666 20.645 5.118 1.00 0.00 H new ATOM 648 N GLY B 23 -25.554 25.531 5.136 1.00 0.00 N ATOM 649 CA GLY B 23 -25.931 26.220 3.897 1.00 0.00 C ATOM 650 C GLY B 23 -24.996 25.896 2.721 1.00 0.00 C ATOM 651 O GLY B 23 -24.171 24.984 2.793 1.00 0.00 O ATOM 0 H GLY B 23 -26.235 24.838 5.447 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -26.951 25.943 3.630 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -25.928 27.296 4.071 1.00 0.00 H new ATOM 655 N PHE B 24 -25.157 26.609 1.602 1.00 0.00 N ATOM 656 CA PHE B 24 -24.525 26.270 0.318 1.00 0.00 C ATOM 657 C PHE B 24 -23.773 27.478 -0.243 1.00 0.00 C ATOM 658 O PHE B 24 -24.297 28.593 -0.241 1.00 0.00 O ATOM 659 CB PHE B 24 -25.581 25.725 -0.667 1.00 0.00 C ATOM 660 CG PHE B 24 -26.651 24.855 -0.025 1.00 0.00 C ATOM 661 CD1 PHE B 24 -26.285 23.792 0.826 1.00 0.00 C ATOM 662 CD2 PHE B 24 -28.010 25.192 -0.178 1.00 0.00 C ATOM 663 CE1 PHE B 24 -27.263 23.127 1.585 1.00 0.00 C ATOM 664 CE2 PHE B 24 -28.993 24.486 0.536 1.00 0.00 C ATOM 665 CZ PHE B 24 -28.616 23.469 1.425 1.00 0.00 C ATOM 0 H PHE B 24 -25.736 27.448 1.559 1.00 0.00 H new ATOM 0 HA PHE B 24 -23.789 25.481 0.474 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -26.064 26.566 -1.164 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -25.075 25.146 -1.439 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -25.251 23.488 0.895 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -28.296 25.993 -0.844 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -26.976 22.358 2.287 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -30.037 24.726 0.400 1.00 0.00 H new ATOM 0 HZ PHE B 24 -29.372 22.945 1.991 1.00 0.00 H new ATOM 675 N PHE B 25 -22.543 27.271 -0.723 1.00 0.00 N ATOM 676 CA PHE B 25 -21.686 28.370 -1.167 1.00 0.00 C ATOM 677 C PHE B 25 -22.082 28.891 -2.548 1.00 0.00 C ATOM 678 O PHE B 25 -22.183 30.103 -2.710 1.00 0.00 O ATOM 679 CB PHE B 25 -20.218 27.940 -1.122 1.00 0.00 C ATOM 680 CG PHE B 25 -19.209 29.035 -1.421 1.00 0.00 C ATOM 681 CD1 PHE B 25 -18.725 29.231 -2.729 1.00 0.00 C ATOM 682 CD2 PHE B 25 -18.714 29.837 -0.373 1.00 0.00 C ATOM 683 CE1 PHE B 25 -17.754 30.217 -2.983 1.00 0.00 C ATOM 684 CE2 PHE B 25 -17.749 30.830 -0.630 1.00 0.00 C ATOM 685 CZ PHE B 25 -17.265 31.018 -1.937 1.00 0.00 C ATOM 0 H PHE B 25 -22.119 26.348 -0.813 1.00 0.00 H new ATOM 0 HA PHE B 25 -21.824 29.204 -0.479 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -20.006 27.534 -0.133 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -20.072 27.130 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -19.100 28.623 -3.539 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -19.077 29.689 0.633 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -17.383 30.359 -3.987 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -17.381 31.447 0.176 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.521 31.775 -2.136 1.00 0.00 H new ATOM 695 N TYR B 26 -22.311 27.996 -3.516 1.00 0.00 N ATOM 696 CA TYR B 26 -22.583 28.292 -4.934 1.00 0.00 C ATOM 697 C TYR B 26 -21.489 29.109 -5.649 1.00 0.00 C ATOM 698 O TYR B 26 -21.274 30.285 -5.370 1.00 0.00 O ATOM 699 CB TYR B 26 -23.991 28.887 -5.129 1.00 0.00 C ATOM 700 CG TYR B 26 -25.048 27.830 -5.382 1.00 0.00 C ATOM 701 CD1 TYR B 26 -25.454 27.551 -6.702 1.00 0.00 C ATOM 702 CD2 TYR B 26 -25.585 27.091 -4.311 1.00 0.00 C ATOM 703 CE1 TYR B 26 -26.380 26.519 -6.954 1.00 0.00 C ATOM 704 CE2 TYR B 26 -26.512 26.059 -4.556 1.00 0.00 C ATOM 705 CZ TYR B 26 -26.906 25.769 -5.881 1.00 0.00 C ATOM 706 OH TYR B 26 -27.783 24.762 -6.123 1.00 0.00 O ATOM 0 H TYR B 26 -22.312 26.994 -3.325 1.00 0.00 H new ATOM 0 HA TYR B 26 -22.557 27.325 -5.436 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -24.263 29.461 -4.243 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -23.973 29.583 -5.967 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -25.055 28.129 -7.522 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -25.285 27.316 -3.298 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -26.686 26.303 -7.967 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -26.920 25.491 -3.733 1.00 0.00 H new ATOM 0 HH TYR B 26 -28.047 24.347 -5.275 1.00 0.00 H new ATOM 716 N THR B 27 -20.820 28.480 -6.619 1.00 0.00 N ATOM 717 CA THR B 27 -19.830 29.117 -7.505 1.00 0.00 C ATOM 718 C THR B 27 -20.419 29.437 -8.895 1.00 0.00 C ATOM 719 O THR B 27 -21.309 28.711 -9.367 1.00 0.00 O ATOM 720 CB THR B 27 -18.572 28.242 -7.660 1.00 0.00 C ATOM 721 OG1 THR B 27 -18.881 26.975 -8.209 1.00 0.00 O ATOM 722 CG2 THR B 27 -17.863 27.991 -6.332 1.00 0.00 C ATOM 0 H THR B 27 -20.952 27.488 -6.819 1.00 0.00 H new ATOM 0 HA THR B 27 -19.549 30.057 -7.031 1.00 0.00 H new ATOM 0 HB THR B 27 -17.919 28.805 -8.327 1.00 0.00 H new ATOM 0 HG1 THR B 27 -18.060 26.447 -8.295 1.00 0.00 H new ATOM 0 HG21 THR B 27 -16.984 27.369 -6.501 1.00 0.00 H new ATOM 0 HG22 THR B 27 -17.556 28.943 -5.898 1.00 0.00 H new ATOM 0 HG23 THR B 27 -18.542 27.482 -5.648 1.00 0.00 H new ATOM 730 N PRO B 28 -19.901 30.465 -9.596 1.00 0.00 N ATOM 731 CA PRO B 28 -18.854 31.388 -9.151 1.00 0.00 C ATOM 732 C PRO B 28 -19.386 32.625 -8.404 1.00 0.00 C ATOM 733 O PRO B 28 -20.419 33.190 -8.758 1.00 0.00 O ATOM 734 CB PRO B 28 -18.135 31.805 -10.435 1.00 0.00 C ATOM 735 CG PRO B 28 -19.269 31.836 -11.460 1.00 0.00 C ATOM 736 CD PRO B 28 -20.207 30.715 -10.999 1.00 0.00 C ATOM 0 HA PRO B 28 -18.204 30.897 -8.426 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -17.655 32.778 -10.333 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -17.357 31.094 -10.713 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -19.774 32.802 -11.469 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -18.900 31.659 -12.470 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -21.250 31.008 -11.122 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -20.056 29.815 -11.595 1.00 0.00 H new ATOM 744 N LYS B 29 -18.608 33.084 -7.422 1.00 0.00 N ATOM 745 CA LYS B 29 -18.482 34.492 -6.993 1.00 0.00 C ATOM 746 C LYS B 29 -16.986 34.840 -7.012 1.00 0.00 C ATOM 747 O LYS B 29 -16.559 35.712 -7.761 1.00 0.00 O ATOM 748 CB LYS B 29 -19.096 34.719 -5.597 1.00 0.00 C ATOM 749 CG LYS B 29 -20.539 34.199 -5.411 1.00 0.00 C ATOM 750 CD LYS B 29 -20.827 33.771 -3.966 1.00 0.00 C ATOM 751 CE LYS B 29 -19.920 32.596 -3.576 1.00 0.00 C ATOM 752 NZ LYS B 29 -20.309 31.998 -2.287 1.00 0.00 N ATOM 0 H LYS B 29 -18.017 32.460 -6.873 1.00 0.00 H new ATOM 0 HA LYS B 29 -19.034 35.144 -7.671 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.457 34.238 -4.856 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -19.083 35.788 -5.383 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -21.243 34.978 -5.703 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -20.706 33.353 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -20.661 34.609 -3.290 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -21.873 33.483 -3.865 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -19.960 31.834 -4.355 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -18.887 32.940 -3.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -19.611 31.277 -2.014 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -20.345 32.738 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -21.246 31.556 -2.378 1.00 0.00 H new