USER MOD reduce.3.24.130724 H: found=0, std=0, add=345, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 347 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 9 SER OG : rot 76:sc= 0.976 USER MOD Set 1.2: B 10 HIS : no HD1:sc= 0.724 K(o=1.7,f=-2.9) USER MOD Set 2.1: A 12 SER OG : rot 81:sc= 0.555 USER MOD Set 2.2: A 15 GLN : amide:sc= 1.48 K(o=2,f=-5.7!) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.1 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0352 K(o=-0.035,f=-1.4) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : A 19 TYR OH : rot -26:sc= 1.26 USER MOD Single : A 21 ASN : amide:sc= 0.231 X(o=0.23,f=-0.13) USER MOD Single : B 1 PHE N :NH3+ -102:sc= 0.187 (180deg=0) USER MOD Single : B 3 ASN :FLIP amide:sc= -0.549 F(o=-2.3!,f=-0.55) USER MOD Single : B 4 GLN : amide:sc= 0.527 K(o=0.53,f=-0.054) USER MOD Single : B 5 HIS : no HD1:sc= -0.129 K(o=-0.13,f=-1) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.497 26.426 -10.125 1.00 0.00 N ATOM 2 CA GLY A 1 -21.663 25.718 -9.566 1.00 0.00 C ATOM 3 C GLY A 1 -22.285 24.860 -10.646 1.00 0.00 C ATOM 4 O GLY A 1 -22.205 25.238 -11.808 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.623 25.992 -9.767 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.516 26.361 -11.163 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.529 27.426 -9.840 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.358 25.099 -8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.392 26.434 -9.188 1.00 0.00 H new ATOM 10 N ILE A 2 -22.866 23.714 -10.281 1.00 0.00 N ATOM 11 CA ILE A 2 -23.294 22.660 -11.225 1.00 0.00 C ATOM 12 C ILE A 2 -24.504 23.015 -12.114 1.00 0.00 C ATOM 13 O ILE A 2 -24.598 22.513 -13.228 1.00 0.00 O ATOM 14 CB ILE A 2 -23.552 21.351 -10.426 1.00 0.00 C ATOM 15 CG1 ILE A 2 -23.780 20.111 -11.322 1.00 0.00 C ATOM 16 CG2 ILE A 2 -24.748 21.483 -9.462 1.00 0.00 C ATOM 17 CD1 ILE A 2 -22.502 19.633 -12.020 1.00 0.00 C ATOM 0 H ILE A 2 -23.059 23.482 -9.307 1.00 0.00 H new ATOM 0 HA ILE A 2 -22.478 22.535 -11.937 1.00 0.00 H new ATOM 0 HB ILE A 2 -22.634 21.199 -9.859 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -24.181 19.300 -10.715 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -24.532 20.347 -12.075 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -24.889 20.544 -8.927 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -24.553 22.283 -8.747 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -25.649 21.716 -10.030 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -22.727 18.761 -12.634 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -22.113 20.431 -12.652 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -21.756 19.367 -11.271 1.00 0.00 H new ATOM 29 N VAL A 3 -25.424 23.865 -11.634 1.00 0.00 N ATOM 30 CA VAL A 3 -26.877 23.829 -11.934 1.00 0.00 C ATOM 31 C VAL A 3 -27.329 23.288 -13.301 1.00 0.00 C ATOM 32 O VAL A 3 -28.097 22.328 -13.322 1.00 0.00 O ATOM 33 CB VAL A 3 -27.541 25.183 -11.602 1.00 0.00 C ATOM 34 CG1 VAL A 3 -26.997 26.380 -12.394 1.00 0.00 C ATOM 35 CG2 VAL A 3 -29.060 25.125 -11.793 1.00 0.00 C ATOM 0 H VAL A 3 -25.175 24.627 -11.003 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.239 23.049 -11.264 1.00 0.00 H new ATOM 0 HB VAL A 3 -27.288 25.348 -10.555 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -27.524 27.285 -12.093 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -25.932 26.496 -12.193 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -27.148 26.210 -13.460 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -29.494 26.095 -11.550 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -29.287 24.875 -12.829 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -29.481 24.364 -11.135 1.00 0.00 H new ATOM 45 N GLU A 4 -26.893 23.858 -14.427 1.00 0.00 N ATOM 46 CA GLU A 4 -27.402 23.460 -15.748 1.00 0.00 C ATOM 47 C GLU A 4 -26.981 22.039 -16.167 1.00 0.00 C ATOM 48 O GLU A 4 -27.683 21.406 -16.943 1.00 0.00 O ATOM 49 CB GLU A 4 -27.005 24.517 -16.799 1.00 0.00 C ATOM 50 CG GLU A 4 -28.227 25.034 -17.580 1.00 0.00 C ATOM 51 CD GLU A 4 -29.226 25.819 -16.724 1.00 0.00 C ATOM 52 OE1 GLU A 4 -29.119 26.050 -15.525 1.00 0.00 O ATOM 53 OE2 GLU A 4 -30.285 26.302 -17.401 1.00 0.00 O ATOM 0 H GLU A 4 -26.189 24.596 -14.454 1.00 0.00 H new ATOM 0 HA GLU A 4 -28.489 23.419 -15.680 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -26.509 25.353 -16.305 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -26.285 24.086 -17.494 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -27.882 25.671 -18.394 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -28.740 24.187 -18.034 1.00 0.00 H new ATOM 61 N GLN A 5 -25.895 21.505 -15.600 1.00 0.00 N ATOM 62 CA GLN A 5 -25.426 20.128 -15.809 1.00 0.00 C ATOM 63 C GLN A 5 -26.092 19.115 -14.847 1.00 0.00 C ATOM 64 O GLN A 5 -25.511 18.079 -14.531 1.00 0.00 O ATOM 65 CB GLN A 5 -23.885 20.085 -15.710 1.00 0.00 C ATOM 66 CG GLN A 5 -23.119 21.179 -16.484 1.00 0.00 C ATOM 67 CD GLN A 5 -23.379 21.215 -17.990 1.00 0.00 C ATOM 68 OE1 GLN A 5 -24.028 20.371 -18.576 1.00 0.00 O ATOM 69 NE2 GLN A 5 -22.866 22.199 -18.696 1.00 0.00 N ATOM 0 H GLN A 5 -25.299 22.033 -14.963 1.00 0.00 H new ATOM 0 HA GLN A 5 -25.726 19.820 -16.811 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -23.608 20.153 -14.658 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -23.546 19.112 -16.067 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -23.381 22.150 -16.063 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -22.051 21.038 -16.319 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -22.316 22.924 -18.236 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -23.018 22.237 -19.704 1.00 0.00 H new ATOM 78 N CYS A 6 -27.270 19.444 -14.301 1.00 0.00 N ATOM 79 CA CYS A 6 -27.971 18.664 -13.265 1.00 0.00 C ATOM 80 C CYS A 6 -29.491 18.947 -13.231 1.00 0.00 C ATOM 81 O CYS A 6 -30.289 18.053 -12.971 1.00 0.00 O ATOM 82 CB CYS A 6 -27.261 18.965 -11.934 1.00 0.00 C ATOM 83 SG CYS A 6 -27.817 18.149 -10.413 1.00 0.00 S ATOM 0 H CYS A 6 -27.779 20.285 -14.574 1.00 0.00 H new ATOM 0 HA CYS A 6 -27.917 17.597 -13.482 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -26.206 18.724 -12.066 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -27.323 20.040 -11.768 1.00 0.00 H new ATOM 88 N CYS A 7 -29.912 20.155 -13.624 1.00 0.00 N ATOM 89 CA CYS A 7 -31.251 20.467 -14.150 1.00 0.00 C ATOM 90 C CYS A 7 -31.445 19.821 -15.547 1.00 0.00 C ATOM 91 O CYS A 7 -31.585 20.506 -16.557 1.00 0.00 O ATOM 92 CB CYS A 7 -31.383 22.000 -14.142 1.00 0.00 C ATOM 93 SG CYS A 7 -32.927 22.747 -14.743 1.00 0.00 S ATOM 0 H CYS A 7 -29.307 20.976 -13.584 1.00 0.00 H new ATOM 0 HA CYS A 7 -32.048 20.047 -13.536 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -31.229 22.340 -13.118 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -30.566 22.405 -14.739 1.00 0.00 H new ATOM 98 N ALA A 8 -31.304 18.493 -15.599 1.00 0.00 N ATOM 99 CA ALA A 8 -31.064 17.696 -16.800 1.00 0.00 C ATOM 100 C ALA A 8 -31.388 16.206 -16.520 1.00 0.00 C ATOM 101 O ALA A 8 -32.311 15.896 -15.771 1.00 0.00 O ATOM 102 CB ALA A 8 -29.592 17.924 -17.206 1.00 0.00 C ATOM 0 H ALA A 8 -31.357 17.917 -14.759 1.00 0.00 H new ATOM 0 HA ALA A 8 -31.711 17.995 -17.625 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -29.368 17.345 -18.102 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -29.430 18.983 -17.408 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.937 17.605 -16.395 1.00 0.00 H new ATOM 108 N SER A 9 -30.628 15.274 -17.109 1.00 0.00 N ATOM 109 CA SER A 9 -30.587 13.872 -16.659 1.00 0.00 C ATOM 110 C SER A 9 -29.861 13.726 -15.312 1.00 0.00 C ATOM 111 O SER A 9 -29.156 14.636 -14.885 1.00 0.00 O ATOM 112 CB SER A 9 -29.896 13.004 -17.712 1.00 0.00 C ATOM 113 OG SER A 9 -30.698 12.953 -18.872 1.00 0.00 O ATOM 0 H SER A 9 -30.025 15.467 -17.909 1.00 0.00 H new ATOM 0 HA SER A 9 -31.616 13.540 -16.524 1.00 0.00 H new ATOM 0 HB2 SER A 9 -28.915 13.414 -17.952 1.00 0.00 H new ATOM 0 HB3 SER A 9 -29.735 11.999 -17.323 1.00 0.00 H new ATOM 0 HG SER A 9 -30.258 12.399 -19.550 1.00 0.00 H new ATOM 119 N VAL A 10 -30.010 12.561 -14.670 1.00 0.00 N ATOM 120 CA VAL A 10 -29.492 12.228 -13.327 1.00 0.00 C ATOM 121 C VAL A 10 -28.009 12.569 -13.101 1.00 0.00 C ATOM 122 O VAL A 10 -27.107 11.797 -13.414 1.00 0.00 O ATOM 123 CB VAL A 10 -29.763 10.745 -12.976 1.00 0.00 C ATOM 124 CG1 VAL A 10 -31.240 10.546 -12.628 1.00 0.00 C ATOM 125 CG2 VAL A 10 -29.407 9.732 -14.077 1.00 0.00 C ATOM 0 H VAL A 10 -30.519 11.783 -15.089 1.00 0.00 H new ATOM 0 HA VAL A 10 -30.047 12.876 -12.649 1.00 0.00 H new ATOM 0 HB VAL A 10 -29.104 10.545 -12.131 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -31.418 9.499 -12.383 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -31.499 11.168 -11.771 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -31.856 10.829 -13.481 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -29.635 8.724 -13.731 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -29.989 9.948 -14.973 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -28.344 9.805 -14.309 1.00 0.00 H new ATOM 135 N CYS A 11 -27.764 13.715 -12.467 1.00 0.00 N ATOM 136 CA CYS A 11 -26.480 14.071 -11.869 1.00 0.00 C ATOM 137 C CYS A 11 -26.119 13.117 -10.713 1.00 0.00 C ATOM 138 O CYS A 11 -26.952 12.800 -9.863 1.00 0.00 O ATOM 139 CB CYS A 11 -26.504 15.550 -11.437 1.00 0.00 C ATOM 140 SG CYS A 11 -28.121 16.194 -10.906 1.00 0.00 S ATOM 0 H CYS A 11 -28.472 14.440 -12.353 1.00 0.00 H new ATOM 0 HA CYS A 11 -25.690 13.955 -12.611 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -25.795 15.682 -10.619 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -26.147 16.158 -12.269 1.00 0.00 H new ATOM 145 N SER A 12 -24.861 12.672 -10.690 1.00 0.00 N ATOM 146 CA SER A 12 -24.276 11.750 -9.700 1.00 0.00 C ATOM 147 C SER A 12 -24.148 12.377 -8.306 1.00 0.00 C ATOM 148 O SER A 12 -24.289 13.589 -8.145 1.00 0.00 O ATOM 149 CB SER A 12 -22.880 11.297 -10.154 1.00 0.00 C ATOM 150 OG SER A 12 -22.886 10.846 -11.492 1.00 0.00 O ATOM 0 H SER A 12 -24.183 12.957 -11.397 1.00 0.00 H new ATOM 0 HA SER A 12 -24.958 10.903 -9.633 1.00 0.00 H new ATOM 0 HB2 SER A 12 -22.178 12.125 -10.052 1.00 0.00 H new ATOM 0 HB3 SER A 12 -22.527 10.498 -9.502 1.00 0.00 H new ATOM 0 HG SER A 12 -22.842 11.616 -12.097 1.00 0.00 H new ATOM 156 N LEU A 13 -23.817 11.566 -7.293 1.00 0.00 N ATOM 157 CA LEU A 13 -23.713 11.937 -5.870 1.00 0.00 C ATOM 158 C LEU A 13 -22.950 13.263 -5.661 1.00 0.00 C ATOM 159 O LEU A 13 -23.579 14.289 -5.413 1.00 0.00 O ATOM 160 CB LEU A 13 -23.109 10.765 -5.065 1.00 0.00 C ATOM 161 CG LEU A 13 -23.964 9.476 -5.028 1.00 0.00 C ATOM 162 CD1 LEU A 13 -23.833 8.599 -6.281 1.00 0.00 C ATOM 163 CD2 LEU A 13 -23.552 8.605 -3.839 1.00 0.00 C ATOM 0 H LEU A 13 -23.603 10.581 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 13 -24.717 12.124 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -22.133 10.522 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -22.940 11.098 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 13 -24.994 9.825 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -24.464 7.716 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -24.148 9.166 -7.157 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -22.795 8.291 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -24.160 7.701 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -22.501 8.334 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -23.702 9.160 -2.913 1.00 0.00 H new ATOM 175 N TYR A 14 -21.640 13.268 -5.905 1.00 0.00 N ATOM 176 CA TYR A 14 -20.740 14.433 -5.856 1.00 0.00 C ATOM 177 C TYR A 14 -20.989 15.503 -6.940 1.00 0.00 C ATOM 178 O TYR A 14 -20.389 16.579 -6.901 1.00 0.00 O ATOM 179 CB TYR A 14 -19.285 13.926 -5.931 1.00 0.00 C ATOM 180 CG TYR A 14 -19.058 12.738 -6.850 1.00 0.00 C ATOM 181 CD1 TYR A 14 -19.068 11.438 -6.306 1.00 0.00 C ATOM 182 CD2 TYR A 14 -18.859 12.925 -8.231 1.00 0.00 C ATOM 183 CE1 TYR A 14 -18.869 10.320 -7.138 1.00 0.00 C ATOM 184 CE2 TYR A 14 -18.664 11.808 -9.068 1.00 0.00 C ATOM 185 CZ TYR A 14 -18.659 10.507 -8.521 1.00 0.00 C ATOM 186 OH TYR A 14 -18.443 9.439 -9.331 1.00 0.00 O ATOM 0 H TYR A 14 -21.144 12.413 -6.157 1.00 0.00 H new ATOM 0 HA TYR A 14 -20.945 14.944 -4.915 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -18.648 14.747 -6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -18.960 13.655 -4.927 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -19.229 11.299 -5.247 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -18.856 13.921 -8.648 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -18.877 9.324 -6.720 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -18.518 11.948 -10.129 1.00 0.00 H new ATOM 0 HH TYR A 14 -18.319 9.747 -10.253 1.00 0.00 H new ATOM 196 N GLN A 15 -21.861 15.251 -7.922 1.00 0.00 N ATOM 197 CA GLN A 15 -22.270 16.261 -8.910 1.00 0.00 C ATOM 198 C GLN A 15 -23.452 17.096 -8.388 1.00 0.00 C ATOM 199 O GLN A 15 -23.424 18.319 -8.488 1.00 0.00 O ATOM 200 CB GLN A 15 -22.588 15.602 -10.267 1.00 0.00 C ATOM 201 CG GLN A 15 -21.365 14.906 -10.899 1.00 0.00 C ATOM 202 CD GLN A 15 -21.693 14.087 -12.150 1.00 0.00 C ATOM 203 OE1 GLN A 15 -22.789 13.590 -12.352 1.00 0.00 O ATOM 204 NE2 GLN A 15 -20.742 13.861 -13.027 1.00 0.00 N ATOM 0 H GLN A 15 -22.304 14.342 -8.056 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.436 16.945 -9.067 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -23.386 14.871 -10.132 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -22.963 16.360 -10.954 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -20.622 15.661 -11.156 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -20.909 14.250 -10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -19.814 14.262 -12.888 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -20.931 13.285 -13.847 1.00 0.00 H new ATOM 213 N LEU A 16 -24.462 16.452 -7.790 1.00 0.00 N ATOM 214 CA LEU A 16 -25.618 17.109 -7.165 1.00 0.00 C ATOM 215 C LEU A 16 -25.243 17.661 -5.781 1.00 0.00 C ATOM 216 O LEU A 16 -25.290 18.868 -5.547 1.00 0.00 O ATOM 217 CB LEU A 16 -26.775 16.090 -7.108 1.00 0.00 C ATOM 218 CG LEU A 16 -28.178 16.641 -6.779 1.00 0.00 C ATOM 219 CD1 LEU A 16 -29.179 15.488 -6.861 1.00 0.00 C ATOM 220 CD2 LEU A 16 -28.322 17.237 -5.376 1.00 0.00 C ATOM 0 H LEU A 16 -24.499 15.435 -7.725 1.00 0.00 H new ATOM 0 HA LEU A 16 -25.941 17.968 -7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -26.828 15.583 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -26.525 15.334 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 16 -28.356 17.440 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -30.179 15.857 -6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -29.169 15.069 -7.867 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.904 14.715 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -29.341 17.598 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -28.103 16.472 -4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -27.624 18.066 -5.260 1.00 0.00 H new ATOM 232 N GLU A 17 -24.819 16.786 -4.864 1.00 0.00 N ATOM 233 CA GLU A 17 -24.304 17.139 -3.539 1.00 0.00 C ATOM 234 C GLU A 17 -22.849 17.624 -3.633 1.00 0.00 C ATOM 235 O GLU A 17 -21.962 17.087 -2.977 1.00 0.00 O ATOM 236 CB GLU A 17 -24.465 15.948 -2.579 1.00 0.00 C ATOM 237 CG GLU A 17 -25.924 15.675 -2.192 1.00 0.00 C ATOM 238 CD GLU A 17 -26.370 14.283 -2.607 1.00 0.00 C ATOM 239 OE1 GLU A 17 -26.865 14.012 -3.695 1.00 0.00 O ATOM 240 OE2 GLU A 17 -26.176 13.333 -1.668 1.00 0.00 O ATOM 0 H GLU A 17 -24.825 15.780 -5.030 1.00 0.00 H new ATOM 0 HA GLU A 17 -24.885 17.968 -3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -24.047 15.056 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.886 16.138 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -26.041 15.787 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -26.569 16.418 -2.661 1.00 0.00 H new ATOM 248 N ASN A 18 -22.615 18.667 -4.436 1.00 0.00 N ATOM 249 CA ASN A 18 -21.309 19.164 -4.904 1.00 0.00 C ATOM 250 C ASN A 18 -20.349 19.717 -3.815 1.00 0.00 C ATOM 251 O ASN A 18 -19.355 20.364 -4.131 1.00 0.00 O ATOM 252 CB ASN A 18 -21.610 20.181 -6.033 1.00 0.00 C ATOM 253 CG ASN A 18 -20.505 20.395 -7.059 1.00 0.00 C ATOM 254 OD1 ASN A 18 -20.340 21.488 -7.589 1.00 0.00 O ATOM 255 ND2 ASN A 18 -19.755 19.379 -7.427 1.00 0.00 N ATOM 0 H ASN A 18 -23.384 19.228 -4.804 1.00 0.00 H new ATOM 0 HA ASN A 18 -20.728 18.316 -5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -22.507 19.853 -6.559 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -21.843 21.142 -5.575 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -19.044 19.505 -8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -19.885 18.466 -6.992 1.00 0.00 H new ATOM 262 N TYR A 19 -20.654 19.452 -2.540 1.00 0.00 N ATOM 263 CA TYR A 19 -19.847 19.746 -1.352 1.00 0.00 C ATOM 264 C TYR A 19 -20.020 18.677 -0.237 1.00 0.00 C ATOM 265 O TYR A 19 -19.507 18.865 0.869 1.00 0.00 O ATOM 266 CB TYR A 19 -20.215 21.139 -0.781 1.00 0.00 C ATOM 267 CG TYR A 19 -20.461 22.288 -1.751 1.00 0.00 C ATOM 268 CD1 TYR A 19 -19.487 23.290 -1.933 1.00 0.00 C ATOM 269 CD2 TYR A 19 -21.701 22.392 -2.415 1.00 0.00 C ATOM 270 CE1 TYR A 19 -19.743 24.383 -2.784 1.00 0.00 C ATOM 271 CE2 TYR A 19 -21.950 23.465 -3.292 1.00 0.00 C ATOM 272 CZ TYR A 19 -20.970 24.461 -3.479 1.00 0.00 C ATOM 273 OH TYR A 19 -21.233 25.527 -4.280 1.00 0.00 O ATOM 0 H TYR A 19 -21.532 18.995 -2.295 1.00 0.00 H new ATOM 0 HA TYR A 19 -18.805 19.734 -1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -21.113 21.021 -0.175 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -19.414 21.442 -0.107 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -18.540 23.220 -1.418 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -22.463 21.645 -2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.002 25.160 -2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -22.890 23.525 -3.820 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.722 26.303 -3.970 1.00 0.00 H new ATOM 283 N CYS A 20 -20.824 17.619 -0.439 1.00 0.00 N ATOM 284 CA CYS A 20 -21.509 16.885 0.648 1.00 0.00 C ATOM 285 C CYS A 20 -21.634 15.356 0.454 1.00 0.00 C ATOM 286 O CYS A 20 -21.857 14.663 1.445 1.00 0.00 O ATOM 287 CB CYS A 20 -22.910 17.491 0.885 1.00 0.00 C ATOM 288 SG CYS A 20 -23.083 19.288 0.688 1.00 0.00 S ATOM 0 H CYS A 20 -21.021 17.244 -1.367 1.00 0.00 H new ATOM 0 HA CYS A 20 -20.863 17.009 1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -23.607 17.008 0.200 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -23.224 17.230 1.896 1.00 0.00 H new ATOM 293 N ASN A 21 -21.482 14.839 -0.772 1.00 0.00 N ATOM 294 CA ASN A 21 -21.391 13.410 -1.124 1.00 0.00 C ATOM 295 C ASN A 21 -20.504 13.267 -2.382 1.00 0.00 C ATOM 296 O ASN A 21 -19.826 14.264 -2.704 1.00 0.00 O ATOM 297 CB ASN A 21 -22.823 12.819 -1.286 1.00 0.00 C ATOM 298 CG ASN A 21 -22.951 11.304 -1.135 1.00 0.00 C ATOM 299 OD1 ASN A 21 -24.008 10.774 -0.824 1.00 0.00 O ATOM 300 ND2 ASN A 21 -21.911 10.543 -1.370 1.00 0.00 N ATOM 301 OXT ASN A 21 -20.538 12.187 -3.012 1.00 0.00 O ATOM 0 H ASN A 21 -21.415 15.439 -1.594 1.00 0.00 H new ATOM 0 HA ASN A 21 -20.916 12.830 -0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -23.474 13.292 -0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -23.199 13.098 -2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -21.993 9.529 -1.292 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -21.019 10.964 -1.631 1.00 0.00 H new ATOM 309 N PHE B 1 -27.559 5.540 -1.159 1.00 0.00 N ATOM 310 CA PHE B 1 -28.192 6.843 -1.461 1.00 0.00 C ATOM 311 C PHE B 1 -28.592 6.869 -2.936 1.00 0.00 C ATOM 312 O PHE B 1 -27.998 6.113 -3.696 1.00 0.00 O ATOM 313 CB PHE B 1 -27.235 7.990 -1.098 1.00 0.00 C ATOM 314 CG PHE B 1 -27.742 9.353 -1.515 1.00 0.00 C ATOM 315 CD1 PHE B 1 -27.310 9.914 -2.730 1.00 0.00 C ATOM 316 CD2 PHE B 1 -28.710 10.020 -0.739 1.00 0.00 C ATOM 317 CE1 PHE B 1 -27.858 11.124 -3.182 1.00 0.00 C ATOM 318 CE2 PHE B 1 -29.251 11.237 -1.188 1.00 0.00 C ATOM 319 CZ PHE B 1 -28.831 11.785 -2.413 1.00 0.00 C ATOM 0 H1 PHE B 1 -28.242 4.928 -0.668 1.00 0.00 H new ATOM 0 H2 PHE B 1 -27.261 5.085 -2.045 1.00 0.00 H new ATOM 0 H3 PHE B 1 -26.729 5.690 -0.551 1.00 0.00 H new ATOM 0 HA PHE B 1 -29.093 6.977 -0.862 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -27.069 7.987 -0.021 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -26.269 7.810 -1.570 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -26.555 9.412 -3.317 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -29.036 9.597 0.200 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -27.532 11.547 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -29.990 11.752 -0.592 1.00 0.00 H new ATOM 0 HZ PHE B 1 -29.256 12.714 -2.763 1.00 0.00 H new ATOM 331 N VAL B 2 -29.569 7.694 -3.335 1.00 0.00 N ATOM 332 CA VAL B 2 -29.914 7.955 -4.746 1.00 0.00 C ATOM 333 C VAL B 2 -30.240 9.438 -4.957 1.00 0.00 C ATOM 334 O VAL B 2 -30.906 10.068 -4.132 1.00 0.00 O ATOM 335 CB VAL B 2 -31.065 7.072 -5.283 1.00 0.00 C ATOM 336 CG1 VAL B 2 -30.664 5.596 -5.380 1.00 0.00 C ATOM 337 CG2 VAL B 2 -32.360 7.170 -4.467 1.00 0.00 C ATOM 0 H VAL B 2 -30.154 8.210 -2.678 1.00 0.00 H new ATOM 0 HA VAL B 2 -29.029 7.686 -5.323 1.00 0.00 H new ATOM 0 HB VAL B 2 -31.262 7.472 -6.278 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -31.504 5.015 -5.762 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -29.815 5.493 -6.056 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -30.388 5.228 -4.392 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -33.118 6.522 -4.908 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -32.168 6.858 -3.441 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -32.716 8.200 -4.472 1.00 0.00 H new ATOM 347 N ASN B 3 -29.739 9.987 -6.062 1.00 0.00 N ATOM 348 CA ASN B 3 -29.881 11.390 -6.454 1.00 0.00 C ATOM 349 C ASN B 3 -31.328 11.801 -6.777 1.00 0.00 C ATOM 350 O ASN B 3 -32.206 10.956 -6.931 1.00 0.00 O ATOM 351 CB ASN B 3 -28.911 11.645 -7.616 1.00 0.00 C ATOM 352 CG ASN B 3 -27.482 11.597 -7.117 1.00 0.00 C ATOM 353 OD1 ASN B 3 -26.923 12.744 -6.834 1.00 0.00 O flip ATOM 354 ND2 ASN B 3 -26.901 10.545 -6.895 1.00 0.00 N flip ATOM 0 H ASN B 3 -29.200 9.445 -6.737 1.00 0.00 H new ATOM 0 HA ASN B 3 -29.625 12.026 -5.607 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -29.058 10.897 -8.395 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -29.116 12.617 -8.065 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -27.349 9.657 -7.121 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -25.968 10.555 -6.484 1.00 0.00 H new ATOM 361 N GLN B 4 -31.568 13.115 -6.833 1.00 0.00 N ATOM 362 CA GLN B 4 -32.897 13.732 -6.886 1.00 0.00 C ATOM 363 C GLN B 4 -33.010 14.720 -8.057 1.00 0.00 C ATOM 364 O GLN B 4 -32.059 15.423 -8.387 1.00 0.00 O ATOM 365 CB GLN B 4 -33.201 14.416 -5.540 1.00 0.00 C ATOM 366 CG GLN B 4 -33.114 13.471 -4.325 1.00 0.00 C ATOM 367 CD GLN B 4 -34.087 12.300 -4.415 1.00 0.00 C ATOM 368 OE1 GLN B 4 -35.259 12.457 -4.713 1.00 0.00 O ATOM 369 NE2 GLN B 4 -33.658 11.083 -4.162 1.00 0.00 N ATOM 0 H GLN B 4 -30.815 13.803 -6.843 1.00 0.00 H new ATOM 0 HA GLN B 4 -33.640 12.953 -7.059 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -32.503 15.241 -5.397 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -34.201 14.848 -5.581 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -32.097 13.087 -4.242 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -33.317 14.037 -3.416 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -32.682 10.928 -3.911 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -34.302 10.294 -4.217 1.00 0.00 H new ATOM 378 N HIS B 5 -34.184 14.778 -8.683 1.00 0.00 N ATOM 379 CA HIS B 5 -34.308 15.087 -10.118 1.00 0.00 C ATOM 380 C HIS B 5 -34.827 16.504 -10.402 1.00 0.00 C ATOM 381 O HIS B 5 -35.710 16.682 -11.237 1.00 0.00 O ATOM 382 CB HIS B 5 -35.157 13.982 -10.782 1.00 0.00 C ATOM 383 CG HIS B 5 -34.832 12.608 -10.249 1.00 0.00 C ATOM 384 ND1 HIS B 5 -33.615 11.952 -10.418 1.00 0.00 N ATOM 385 CD2 HIS B 5 -35.566 11.938 -9.311 1.00 0.00 C ATOM 386 CE1 HIS B 5 -33.647 10.893 -9.599 1.00 0.00 C ATOM 387 NE2 HIS B 5 -34.803 10.862 -8.917 1.00 0.00 N ATOM 0 H HIS B 5 -35.077 14.614 -8.218 1.00 0.00 H new ATOM 0 HA HIS B 5 -33.313 15.090 -10.563 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -36.214 14.192 -10.618 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -34.992 13.999 -11.859 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -36.550 12.201 -8.950 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -32.854 10.166 -9.501 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -35.070 10.161 -8.226 1.00 0.00 H new ATOM 395 N LEU B 6 -34.353 17.512 -9.657 1.00 0.00 N ATOM 396 CA LEU B 6 -34.908 18.873 -9.688 1.00 0.00 C ATOM 397 C LEU B 6 -33.854 19.976 -9.869 1.00 0.00 C ATOM 398 O LEU B 6 -32.736 19.916 -9.360 1.00 0.00 O ATOM 399 CB LEU B 6 -35.778 19.138 -8.444 1.00 0.00 C ATOM 400 CG LEU B 6 -37.042 18.267 -8.309 1.00 0.00 C ATOM 401 CD1 LEU B 6 -37.723 18.576 -6.975 1.00 0.00 C ATOM 402 CD2 LEU B 6 -38.064 18.549 -9.414 1.00 0.00 C ATOM 0 H LEU B 6 -33.570 17.406 -9.012 1.00 0.00 H new ATOM 0 HA LEU B 6 -35.534 18.918 -10.579 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -35.163 18.991 -7.556 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -36.081 20.185 -8.453 1.00 0.00 H new ATOM 0 HG LEU B 6 -36.722 17.227 -8.378 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -38.618 17.963 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -37.037 18.356 -6.157 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -37.999 19.630 -6.943 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -38.936 17.910 -9.275 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -38.369 19.595 -9.369 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -37.615 18.343 -10.386 1.00 0.00 H new ATOM 414 N CYS B 7 -34.270 21.020 -10.587 1.00 0.00 N ATOM 415 CA CYS B 7 -33.464 22.179 -10.955 1.00 0.00 C ATOM 416 C CYS B 7 -33.035 23.064 -9.769 1.00 0.00 C ATOM 417 O CYS B 7 -33.508 22.935 -8.639 1.00 0.00 O ATOM 418 CB CYS B 7 -34.247 22.965 -12.012 1.00 0.00 C ATOM 419 SG CYS B 7 -34.429 22.043 -13.559 1.00 0.00 S ATOM 0 H CYS B 7 -35.224 21.081 -10.943 1.00 0.00 H new ATOM 0 HA CYS B 7 -32.515 21.825 -11.357 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -35.234 23.212 -11.621 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -33.738 23.908 -12.211 1.00 0.00 H new ATOM 424 N GLY B 8 -32.107 23.990 -10.049 1.00 0.00 N ATOM 425 CA GLY B 8 -31.255 24.646 -9.050 1.00 0.00 C ATOM 426 C GLY B 8 -31.951 25.288 -7.849 1.00 0.00 C ATOM 427 O GLY B 8 -31.409 25.212 -6.752 1.00 0.00 O ATOM 0 H GLY B 8 -31.925 24.311 -11.000 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -30.546 23.908 -8.674 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -30.674 25.418 -9.556 1.00 0.00 H new ATOM 431 N SER B 9 -33.137 25.879 -8.029 1.00 0.00 N ATOM 432 CA SER B 9 -33.947 26.473 -6.953 1.00 0.00 C ATOM 433 C SER B 9 -34.331 25.444 -5.889 1.00 0.00 C ATOM 434 O SER B 9 -34.122 25.661 -4.698 1.00 0.00 O ATOM 435 CB SER B 9 -35.215 27.095 -7.560 1.00 0.00 C ATOM 436 OG SER B 9 -35.830 26.227 -8.505 1.00 0.00 O ATOM 0 H SER B 9 -33.573 25.961 -8.947 1.00 0.00 H new ATOM 0 HA SER B 9 -33.347 27.240 -6.462 1.00 0.00 H new ATOM 0 HB2 SER B 9 -35.923 27.326 -6.764 1.00 0.00 H new ATOM 0 HB3 SER B 9 -34.961 28.038 -8.044 1.00 0.00 H new ATOM 0 HG SER B 9 -36.304 25.512 -8.032 1.00 0.00 H new ATOM 442 N HIS B 10 -34.846 24.297 -6.319 1.00 0.00 N ATOM 443 CA HIS B 10 -35.225 23.189 -5.448 1.00 0.00 C ATOM 444 C HIS B 10 -33.988 22.484 -4.893 1.00 0.00 C ATOM 445 O HIS B 10 -33.994 22.079 -3.737 1.00 0.00 O ATOM 446 CB HIS B 10 -36.106 22.220 -6.241 1.00 0.00 C ATOM 447 CG HIS B 10 -37.370 22.848 -6.782 1.00 0.00 C ATOM 448 ND1 HIS B 10 -37.431 23.853 -7.754 1.00 0.00 N ATOM 449 CD2 HIS B 10 -38.641 22.517 -6.413 1.00 0.00 C ATOM 450 CE1 HIS B 10 -38.736 24.091 -7.956 1.00 0.00 C ATOM 451 NE2 HIS B 10 -39.485 23.306 -7.163 1.00 0.00 N ATOM 0 H HIS B 10 -35.016 24.107 -7.307 1.00 0.00 H new ATOM 0 HA HIS B 10 -35.786 23.570 -4.594 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -35.528 21.815 -7.072 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -36.374 21.380 -5.600 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -38.929 21.781 -5.677 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -39.129 24.812 -8.657 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -40.504 23.296 -7.123 1.00 0.00 H new ATOM 459 N LEU B 11 -32.913 22.397 -5.683 1.00 0.00 N ATOM 460 CA LEU B 11 -31.625 21.836 -5.269 1.00 0.00 C ATOM 461 C LEU B 11 -31.030 22.617 -4.079 1.00 0.00 C ATOM 462 O LEU B 11 -30.748 22.017 -3.046 1.00 0.00 O ATOM 463 CB LEU B 11 -30.704 21.777 -6.506 1.00 0.00 C ATOM 464 CG LEU B 11 -29.516 20.798 -6.419 1.00 0.00 C ATOM 465 CD1 LEU B 11 -28.892 20.640 -7.808 1.00 0.00 C ATOM 466 CD2 LEU B 11 -28.411 21.270 -5.474 1.00 0.00 C ATOM 0 H LEU B 11 -32.915 22.722 -6.650 1.00 0.00 H new ATOM 0 HA LEU B 11 -31.748 20.819 -4.895 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -31.309 21.507 -7.372 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -30.312 22.777 -6.690 1.00 0.00 H new ATOM 0 HG LEU B 11 -29.917 19.861 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -28.051 19.949 -7.753 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -29.638 20.249 -8.500 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -28.542 21.610 -8.162 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -27.606 20.535 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -28.022 22.228 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -28.816 21.384 -4.469 1.00 0.00 H new ATOM 478 N VAL B 12 -30.901 23.950 -4.159 1.00 0.00 N ATOM 479 CA VAL B 12 -30.387 24.753 -3.028 1.00 0.00 C ATOM 480 C VAL B 12 -31.344 24.769 -1.836 1.00 0.00 C ATOM 481 O VAL B 12 -30.887 24.650 -0.703 1.00 0.00 O ATOM 482 CB VAL B 12 -29.955 26.181 -3.421 1.00 0.00 C ATOM 483 CG1 VAL B 12 -28.844 26.136 -4.479 1.00 0.00 C ATOM 484 CG2 VAL B 12 -31.094 27.096 -3.888 1.00 0.00 C ATOM 0 H VAL B 12 -31.142 24.496 -4.986 1.00 0.00 H new ATOM 0 HA VAL B 12 -29.479 24.238 -2.714 1.00 0.00 H new ATOM 0 HB VAL B 12 -29.582 26.628 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -28.552 27.152 -4.744 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -27.981 25.604 -4.078 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -29.208 25.620 -5.367 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -30.692 28.077 -4.142 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -31.573 26.662 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -31.828 27.200 -3.089 1.00 0.00 H new ATOM 494 N GLU B 13 -32.661 24.810 -2.067 1.00 0.00 N ATOM 495 CA GLU B 13 -33.644 24.703 -0.984 1.00 0.00 C ATOM 496 C GLU B 13 -33.541 23.348 -0.257 1.00 0.00 C ATOM 497 O GLU B 13 -33.645 23.291 0.966 1.00 0.00 O ATOM 498 CB GLU B 13 -35.050 24.940 -1.562 1.00 0.00 C ATOM 499 CG GLU B 13 -36.144 25.088 -0.491 1.00 0.00 C ATOM 500 CD GLU B 13 -36.074 26.406 0.280 1.00 0.00 C ATOM 501 OE1 GLU B 13 -35.252 27.296 0.113 1.00 0.00 O ATOM 502 OE2 GLU B 13 -37.051 26.574 1.190 1.00 0.00 O ATOM 0 H GLU B 13 -33.071 24.917 -2.995 1.00 0.00 H new ATOM 0 HA GLU B 13 -33.437 25.465 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -35.033 25.839 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -35.308 24.109 -2.219 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -37.121 25.008 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -36.065 24.260 0.214 1.00 0.00 H new ATOM 510 N ALA B 14 -33.285 22.261 -0.995 1.00 0.00 N ATOM 511 CA ALA B 14 -33.114 20.921 -0.442 1.00 0.00 C ATOM 512 C ALA B 14 -31.782 20.731 0.302 1.00 0.00 C ATOM 513 O ALA B 14 -31.763 19.985 1.279 1.00 0.00 O ATOM 514 CB ALA B 14 -33.265 19.894 -1.570 1.00 0.00 C ATOM 0 H ALA B 14 -33.190 22.293 -2.010 1.00 0.00 H new ATOM 0 HA ALA B 14 -33.889 20.773 0.310 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -33.139 18.889 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -34.256 19.985 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -32.508 20.077 -2.332 1.00 0.00 H new ATOM 520 N LEU B 15 -30.684 21.400 -0.089 1.00 0.00 N ATOM 521 CA LEU B 15 -29.374 21.308 0.589 1.00 0.00 C ATOM 522 C LEU B 15 -29.414 21.731 2.071 1.00 0.00 C ATOM 523 O LEU B 15 -28.550 21.308 2.842 1.00 0.00 O ATOM 524 CB LEU B 15 -28.301 22.100 -0.188 1.00 0.00 C ATOM 525 CG LEU B 15 -27.797 21.416 -1.474 1.00 0.00 C ATOM 526 CD1 LEU B 15 -26.972 22.398 -2.312 1.00 0.00 C ATOM 527 CD2 LEU B 15 -26.890 20.216 -1.190 1.00 0.00 C ATOM 0 H LEU B 15 -30.678 22.027 -0.893 1.00 0.00 H new ATOM 0 HA LEU B 15 -29.104 20.252 0.590 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -28.708 23.077 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -27.451 22.275 0.471 1.00 0.00 H new ATOM 0 HG LEU B 15 -28.691 21.081 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -26.623 21.900 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -27.591 23.253 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -26.115 22.740 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -26.565 19.774 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -26.018 20.545 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -27.439 19.474 -0.611 1.00 0.00 H new ATOM 539 N TYR B 16 -30.453 22.453 2.503 1.00 0.00 N ATOM 540 CA TYR B 16 -30.759 22.684 3.921 1.00 0.00 C ATOM 541 C TYR B 16 -30.881 21.371 4.729 1.00 0.00 C ATOM 542 O TYR B 16 -30.489 21.324 5.890 1.00 0.00 O ATOM 543 CB TYR B 16 -32.053 23.510 3.996 1.00 0.00 C ATOM 544 CG TYR B 16 -32.396 24.025 5.381 1.00 0.00 C ATOM 545 CD1 TYR B 16 -31.961 25.303 5.783 1.00 0.00 C ATOM 546 CD2 TYR B 16 -33.150 23.231 6.267 1.00 0.00 C ATOM 547 CE1 TYR B 16 -32.272 25.786 7.069 1.00 0.00 C ATOM 548 CE2 TYR B 16 -33.457 23.706 7.556 1.00 0.00 C ATOM 549 CZ TYR B 16 -33.019 24.983 7.959 1.00 0.00 C ATOM 550 OH TYR B 16 -33.320 25.439 9.202 1.00 0.00 O ATOM 0 H TYR B 16 -31.115 22.900 1.869 1.00 0.00 H new ATOM 0 HA TYR B 16 -29.932 23.228 4.378 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -31.966 24.359 3.319 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -32.880 22.898 3.635 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -31.387 25.915 5.103 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -33.493 22.255 5.957 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -31.940 26.768 7.374 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -34.028 23.092 8.236 1.00 0.00 H new ATOM 0 HH TYR B 16 -33.840 24.761 9.682 1.00 0.00 H new ATOM 560 N LEU B 17 -31.357 20.287 4.100 1.00 0.00 N ATOM 561 CA LEU B 17 -31.420 18.928 4.661 1.00 0.00 C ATOM 562 C LEU B 17 -30.429 17.958 3.986 1.00 0.00 C ATOM 563 O LEU B 17 -29.814 17.134 4.655 1.00 0.00 O ATOM 564 CB LEU B 17 -32.864 18.397 4.529 1.00 0.00 C ATOM 565 CG LEU B 17 -33.960 19.260 5.186 1.00 0.00 C ATOM 566 CD1 LEU B 17 -35.331 18.633 4.926 1.00 0.00 C ATOM 567 CD2 LEU B 17 -33.773 19.391 6.699 1.00 0.00 C ATOM 0 H LEU B 17 -31.723 20.334 3.149 1.00 0.00 H new ATOM 0 HA LEU B 17 -31.130 18.985 5.710 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -33.097 18.293 3.469 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -32.905 17.398 4.964 1.00 0.00 H new ATOM 0 HG LEU B 17 -33.889 20.254 4.744 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -36.105 19.244 5.391 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -35.508 18.578 3.852 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -35.358 17.629 5.350 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -34.571 20.008 7.112 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -33.805 18.402 7.157 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -32.810 19.856 6.908 1.00 0.00 H new ATOM 579 N VAL B 18 -30.250 18.070 2.665 1.00 0.00 N ATOM 580 CA VAL B 18 -29.381 17.224 1.816 1.00 0.00 C ATOM 581 C VAL B 18 -27.878 17.525 1.999 1.00 0.00 C ATOM 582 O VAL B 18 -27.027 16.798 1.494 1.00 0.00 O ATOM 583 CB VAL B 18 -29.861 17.318 0.342 1.00 0.00 C ATOM 584 CG1 VAL B 18 -28.991 16.599 -0.696 1.00 0.00 C ATOM 585 CG2 VAL B 18 -31.276 16.736 0.200 1.00 0.00 C ATOM 0 H VAL B 18 -30.730 18.789 2.124 1.00 0.00 H new ATOM 0 HA VAL B 18 -29.478 16.187 2.138 1.00 0.00 H new ATOM 0 HB VAL B 18 -29.809 18.386 0.131 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -29.423 16.733 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -27.984 17.017 -0.679 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -28.947 15.536 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -31.597 16.810 -0.839 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -31.271 15.690 0.505 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -31.965 17.295 0.833 1.00 0.00 H new ATOM 595 N CYS B 19 -27.532 18.570 2.755 1.00 0.00 N ATOM 596 CA CYS B 19 -26.167 18.836 3.222 1.00 0.00 C ATOM 597 C CYS B 19 -26.118 19.276 4.694 1.00 0.00 C ATOM 598 O CYS B 19 -25.200 18.891 5.419 1.00 0.00 O ATOM 599 CB CYS B 19 -25.524 19.882 2.312 1.00 0.00 C ATOM 600 SG CYS B 19 -23.729 20.007 2.476 1.00 0.00 S ATOM 0 H CYS B 19 -28.206 19.270 3.066 1.00 0.00 H new ATOM 0 HA CYS B 19 -25.603 17.905 3.170 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -25.767 19.644 1.276 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -25.966 20.855 2.528 1.00 0.00 H new ATOM 605 N GLY B 20 -27.111 20.046 5.159 1.00 0.00 N ATOM 606 CA GLY B 20 -27.350 20.321 6.579 1.00 0.00 C ATOM 607 C GLY B 20 -26.175 20.993 7.290 1.00 0.00 C ATOM 608 O GLY B 20 -25.963 22.197 7.157 1.00 0.00 O ATOM 0 H GLY B 20 -27.784 20.504 4.544 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -28.230 20.958 6.672 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -27.580 19.384 7.086 1.00 0.00 H new ATOM 612 N GLU B 21 -25.390 20.204 8.030 1.00 0.00 N ATOM 613 CA GLU B 21 -24.329 20.632 8.959 1.00 0.00 C ATOM 614 C GLU B 21 -23.106 21.333 8.319 1.00 0.00 C ATOM 615 O GLU B 21 -22.064 21.448 8.959 1.00 0.00 O ATOM 616 CB GLU B 21 -23.887 19.434 9.830 1.00 0.00 C ATOM 617 CG GLU B 21 -25.036 18.661 10.504 1.00 0.00 C ATOM 618 CD GLU B 21 -25.978 19.571 11.287 1.00 0.00 C ATOM 619 OE1 GLU B 21 -25.655 20.267 12.235 1.00 0.00 O ATOM 620 OE2 GLU B 21 -27.250 19.589 10.845 1.00 0.00 O ATOM 0 H GLU B 21 -25.480 19.189 7.998 1.00 0.00 H new ATOM 0 HA GLU B 21 -24.782 21.412 9.571 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -23.319 18.742 9.208 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -23.210 19.797 10.604 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -25.604 18.126 9.743 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -24.619 17.912 11.177 1.00 0.00 H new ATOM 628 N ARG B 22 -23.204 21.804 7.068 1.00 0.00 N ATOM 629 CA ARG B 22 -22.233 22.714 6.425 1.00 0.00 C ATOM 630 C ARG B 22 -22.877 23.859 5.624 1.00 0.00 C ATOM 631 O ARG B 22 -22.147 24.702 5.114 1.00 0.00 O ATOM 632 CB ARG B 22 -21.252 21.943 5.517 1.00 0.00 C ATOM 633 CG ARG B 22 -20.435 20.831 6.198 1.00 0.00 C ATOM 634 CD ARG B 22 -21.138 19.456 6.189 1.00 0.00 C ATOM 635 NE ARG B 22 -20.387 18.446 5.409 1.00 0.00 N ATOM 636 CZ ARG B 22 -20.119 18.496 4.114 1.00 0.00 C ATOM 637 NH1 ARG B 22 -20.603 19.417 3.340 1.00 0.00 N ATOM 638 NH2 ARG B 22 -19.332 17.637 3.539 1.00 0.00 N ATOM 0 H ARG B 22 -23.981 21.558 6.454 1.00 0.00 H new ATOM 0 HA ARG B 22 -21.692 23.171 7.254 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -21.818 21.501 4.697 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -20.558 22.658 5.076 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -19.471 20.741 5.697 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -20.232 21.120 7.229 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -21.258 19.105 7.214 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -22.139 19.565 5.770 1.00 0.00 H new ATOM 0 HE ARG B 22 -20.043 17.633 5.919 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -21.214 20.137 3.725 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -20.373 19.421 2.346 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -18.899 16.895 4.088 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -19.147 17.705 2.538 1.00 0.00 H new ATOM 652 N GLY B 23 -24.206 23.897 5.475 1.00 0.00 N ATOM 653 CA GLY B 23 -24.865 24.782 4.505 1.00 0.00 C ATOM 654 C GLY B 23 -24.416 24.508 3.061 1.00 0.00 C ATOM 655 O GLY B 23 -24.179 23.359 2.688 1.00 0.00 O ATOM 0 H GLY B 23 -24.851 23.322 6.017 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -25.945 24.655 4.577 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -24.649 25.820 4.759 1.00 0.00 H new ATOM 659 N PHE B 24 -24.296 25.560 2.248 1.00 0.00 N ATOM 660 CA PHE B 24 -23.775 25.498 0.878 1.00 0.00 C ATOM 661 C PHE B 24 -23.198 26.857 0.444 1.00 0.00 C ATOM 662 O PHE B 24 -23.735 27.910 0.779 1.00 0.00 O ATOM 663 CB PHE B 24 -24.869 25.013 -0.091 1.00 0.00 C ATOM 664 CG PHE B 24 -26.197 25.748 0.001 1.00 0.00 C ATOM 665 CD1 PHE B 24 -27.217 25.248 0.834 1.00 0.00 C ATOM 666 CD2 PHE B 24 -26.415 26.931 -0.731 1.00 0.00 C ATOM 667 CE1 PHE B 24 -28.448 25.920 0.927 1.00 0.00 C ATOM 668 CE2 PHE B 24 -27.643 27.610 -0.628 1.00 0.00 C ATOM 669 CZ PHE B 24 -28.661 27.101 0.198 1.00 0.00 C ATOM 0 H PHE B 24 -24.565 26.503 2.530 1.00 0.00 H new ATOM 0 HA PHE B 24 -22.958 24.776 0.851 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -24.493 25.103 -1.110 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -25.047 23.953 0.090 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -27.053 24.345 1.403 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -25.638 27.318 -1.373 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -29.231 25.528 1.560 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -27.804 28.522 -1.183 1.00 0.00 H new ATOM 0 HZ PHE B 24 -29.606 27.618 0.272 1.00 0.00 H new ATOM 679 N PHE B 25 -22.112 26.833 -0.333 1.00 0.00 N ATOM 680 CA PHE B 25 -21.327 28.024 -0.687 1.00 0.00 C ATOM 681 C PHE B 25 -21.369 28.253 -2.199 1.00 0.00 C ATOM 682 O PHE B 25 -20.550 27.718 -2.952 1.00 0.00 O ATOM 683 CB PHE B 25 -19.907 27.873 -0.120 1.00 0.00 C ATOM 684 CG PHE B 25 -19.912 27.654 1.381 1.00 0.00 C ATOM 685 CD1 PHE B 25 -20.160 28.738 2.244 1.00 0.00 C ATOM 686 CD2 PHE B 25 -19.775 26.356 1.910 1.00 0.00 C ATOM 687 CE1 PHE B 25 -20.281 28.525 3.628 1.00 0.00 C ATOM 688 CE2 PHE B 25 -19.899 26.143 3.293 1.00 0.00 C ATOM 689 CZ PHE B 25 -20.157 27.226 4.151 1.00 0.00 C ATOM 0 H PHE B 25 -21.746 25.973 -0.741 1.00 0.00 H new ATOM 0 HA PHE B 25 -21.756 28.921 -0.240 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -19.410 27.034 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -19.327 28.766 -0.354 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -20.258 29.736 1.842 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -19.574 25.524 1.252 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -20.469 29.358 4.289 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -19.796 25.147 3.697 1.00 0.00 H new ATOM 0 HZ PHE B 25 -20.260 27.060 5.213 1.00 0.00 H new ATOM 699 N TYR B 26 -22.396 28.966 -2.666 1.00 0.00 N ATOM 700 CA TYR B 26 -22.699 29.060 -4.096 1.00 0.00 C ATOM 701 C TYR B 26 -21.712 29.970 -4.849 1.00 0.00 C ATOM 702 O TYR B 26 -21.401 31.074 -4.409 1.00 0.00 O ATOM 703 CB TYR B 26 -24.156 29.492 -4.305 1.00 0.00 C ATOM 704 CG TYR B 26 -24.720 28.999 -5.624 1.00 0.00 C ATOM 705 CD1 TYR B 26 -25.426 27.780 -5.664 1.00 0.00 C ATOM 706 CD2 TYR B 26 -24.508 29.727 -6.811 1.00 0.00 C ATOM 707 CE1 TYR B 26 -25.926 27.292 -6.886 1.00 0.00 C ATOM 708 CE2 TYR B 26 -24.983 29.230 -8.040 1.00 0.00 C ATOM 709 CZ TYR B 26 -25.695 28.014 -8.077 1.00 0.00 C ATOM 710 OH TYR B 26 -26.160 27.530 -9.257 1.00 0.00 O ATOM 0 H TYR B 26 -23.036 29.490 -2.070 1.00 0.00 H new ATOM 0 HA TYR B 26 -22.574 28.067 -4.527 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -24.766 29.111 -3.486 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -24.219 30.580 -4.270 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -25.584 27.219 -4.755 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -23.980 30.669 -6.779 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -26.485 26.368 -6.912 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -24.802 29.779 -8.952 1.00 0.00 H new ATOM 0 HH TYR B 26 -25.919 28.145 -9.981 1.00 0.00 H new