USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 376 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 34 CYS SG : rot 6:sc= -26.3! USER MOD Set 1.2: A 40 CYS SG : rot 133:sc= -24.9! USER MOD Set 2.1: A 24 TYR OH : rot 45:sc=0.000528 USER MOD Set 2.2: A 26 SER OG : rot 90:sc= 1.27 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.055 X(o=-0.055,f=0) USER MOD Single : A 4 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 5 THR OG1 : rot -43:sc= 1.09 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.656 X(o=-0.66,f=-1.1) USER MOD Single : A 23 HIS : no HE2:sc= -1.98 X(o=-2,f=-1.8) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -92:sc= 0.354 USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= 0.609 (180deg=0.144) USER MOD Single : A 33 SER OG : rot 18:sc= 1.21 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.647 F(o=-1.7!,f=-0.65) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.278 K(o=0.28,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.090 -0.309 -0.164 1.00 72.31 N ATOM 2 CA LEU A 1 1.955 -0.221 -1.335 1.00 41.23 C ATOM 3 C LEU A 1 2.661 -1.548 -1.593 1.00 34.44 C ATOM 4 O LEU A 1 3.042 -2.250 -0.657 1.00 22.34 O ATOM 5 CB LEU A 1 2.989 0.891 -1.147 1.00 53.14 C ATOM 6 CG LEU A 1 3.108 1.897 -2.293 1.00 23.12 C ATOM 7 CD1 LEU A 1 3.675 1.227 -3.535 1.00 24.24 C ATOM 8 CD2 LEU A 1 1.755 2.525 -2.594 1.00 45.23 C ATOM 0 H1 LEU A 1 0.621 0.606 -0.009 1.00 72.31 H new ATOM 0 H2 LEU A 1 0.371 -1.045 -0.318 1.00 72.31 H new ATOM 0 H3 LEU A 1 1.660 -0.551 0.671 1.00 72.31 H new ATOM 0 HA LEU A 1 1.332 0.012 -2.199 1.00 41.23 H new ATOM 0 HB2 LEU A 1 2.745 1.436 -0.235 1.00 53.14 H new ATOM 0 HB3 LEU A 1 3.965 0.430 -0.992 1.00 53.14 H new ATOM 0 HG LEU A 1 3.793 2.688 -1.987 1.00 23.12 H new ATOM 0 HD11 LEU A 1 3.752 1.958 -4.340 1.00 24.24 H new ATOM 0 HD12 LEU A 1 4.664 0.826 -3.313 1.00 24.24 H new ATOM 0 HD13 LEU A 1 3.016 0.416 -3.844 1.00 24.24 H new ATOM 0 HD21 LEU A 1 1.859 3.238 -3.412 1.00 45.23 H new ATOM 0 HD22 LEU A 1 1.048 1.746 -2.879 1.00 45.23 H new ATOM 0 HD23 LEU A 1 1.388 3.041 -1.707 1.00 45.23 H new ATOM 20 N GLN A 2 2.832 -1.884 -2.867 1.00 72.31 N ATOM 21 CA GLN A 2 3.493 -3.127 -3.247 1.00 22.12 C ATOM 22 C GLN A 2 4.607 -2.865 -4.255 1.00 73.14 C ATOM 23 O GLN A 2 4.536 -1.921 -5.043 1.00 3.34 O ATOM 24 CB GLN A 2 2.479 -4.111 -3.833 1.00 10.20 C ATOM 25 CG GLN A 2 1.715 -4.896 -2.780 1.00 35.43 C ATOM 26 CD GLN A 2 1.391 -6.309 -3.226 1.00 2.25 C ATOM 27 OE1 GLN A 2 1.556 -7.265 -2.467 1.00 13.41 O ATOM 28 NE2 GLN A 2 0.928 -6.448 -4.462 1.00 71.12 N ATOM 0 H GLN A 2 2.522 -1.313 -3.654 1.00 72.31 H new ATOM 0 HA GLN A 2 3.934 -3.563 -2.351 1.00 22.12 H new ATOM 0 HB2 GLN A 2 1.769 -3.563 -4.452 1.00 10.20 H new ATOM 0 HB3 GLN A 2 3.000 -4.809 -4.488 1.00 10.20 H new ATOM 0 HG2 GLN A 2 2.303 -4.934 -1.863 1.00 35.43 H new ATOM 0 HG3 GLN A 2 0.789 -4.373 -2.543 1.00 35.43 H new ATOM 0 HE21 GLN A 2 0.807 -5.628 -5.056 1.00 71.12 H new ATOM 0 HE22 GLN A 2 0.693 -7.375 -4.817 1.00 71.12 H new ATOM 37 N CYS A 3 5.635 -3.707 -4.226 1.00 54.34 N ATOM 38 CA CYS A 3 6.764 -3.566 -5.137 1.00 64.52 C ATOM 39 C CYS A 3 7.126 -4.909 -5.766 1.00 24.14 C ATOM 40 O CYS A 3 6.928 -5.962 -5.161 1.00 61.24 O ATOM 41 CB CYS A 3 7.975 -2.994 -4.397 1.00 60.40 C ATOM 42 SG CYS A 3 7.578 -1.612 -3.279 1.00 31.00 S ATOM 0 H CYS A 3 5.709 -4.494 -3.581 1.00 54.34 H new ATOM 0 HA CYS A 3 6.474 -2.878 -5.932 1.00 64.52 H new ATOM 0 HB2 CYS A 3 8.444 -3.791 -3.820 1.00 60.40 H new ATOM 0 HB3 CYS A 3 8.708 -2.656 -5.129 1.00 60.40 H new ATOM 47 N ASN A 4 7.659 -4.862 -6.982 1.00 73.25 N ATOM 48 CA ASN A 4 8.048 -6.075 -7.693 1.00 44.54 C ATOM 49 C ASN A 4 9.355 -6.634 -7.139 1.00 33.55 C ATOM 50 O ASN A 4 10.123 -5.923 -6.491 1.00 45.21 O ATOM 51 CB ASN A 4 8.198 -5.788 -9.189 1.00 11.11 C ATOM 52 CG ASN A 4 6.866 -5.517 -9.862 1.00 1.34 C ATOM 53 OD1 ASN A 4 6.289 -4.354 -9.583 1.00 33.13 O flip ATOM 54 ND2 ASN A 4 6.363 -6.343 -10.623 1.00 52.41 N flip ATOM 0 H ASN A 4 7.832 -3.998 -7.496 1.00 73.25 H new ATOM 0 HA ASN A 4 7.264 -6.818 -7.548 1.00 44.54 H new ATOM 0 HB2 ASN A 4 8.853 -4.928 -9.327 1.00 11.11 H new ATOM 0 HB3 ASN A 4 8.680 -6.638 -9.673 1.00 11.11 H new ATOM 0 HD21 ASN A 4 6.842 -7.224 -10.808 1.00 52.41 H new ATOM 0 HD22 ASN A 4 5.467 -6.147 -11.068 1.00 52.41 H new ATOM 61 N THR A 5 9.600 -7.915 -7.397 1.00 24.21 N ATOM 62 CA THR A 5 10.812 -8.572 -6.924 1.00 5.54 C ATOM 63 C THR A 5 11.611 -9.155 -8.084 1.00 11.32 C ATOM 64 O THR A 5 11.075 -9.376 -9.171 1.00 0.24 O ATOM 65 CB THR A 5 10.488 -9.696 -5.922 1.00 50.01 C ATOM 66 OG1 THR A 5 9.813 -10.768 -6.590 1.00 40.54 O ATOM 67 CG2 THR A 5 9.622 -9.175 -4.785 1.00 53.13 C ATOM 0 H THR A 5 8.975 -8.518 -7.931 1.00 24.21 H new ATOM 0 HA THR A 5 11.409 -7.810 -6.423 1.00 5.54 H new ATOM 0 HB THR A 5 11.426 -10.062 -5.504 1.00 50.01 H new ATOM 0 HG1 THR A 5 9.142 -10.401 -7.203 1.00 40.54 H new ATOM 0 HG21 THR A 5 9.406 -9.987 -4.090 1.00 53.13 H new ATOM 0 HG22 THR A 5 10.151 -8.379 -4.260 1.00 53.13 H new ATOM 0 HG23 THR A 5 8.688 -8.785 -5.189 1.00 53.13 H new ATOM 75 N LEU A 6 12.894 -9.403 -7.847 1.00 3.21 N ATOM 76 CA LEU A 6 13.768 -9.962 -8.873 1.00 55.11 C ATOM 77 C LEU A 6 13.353 -11.388 -9.223 1.00 3.32 C ATOM 78 O LEU A 6 13.661 -11.886 -10.306 1.00 31.13 O ATOM 79 CB LEU A 6 15.222 -9.943 -8.399 1.00 13.11 C ATOM 80 CG LEU A 6 15.635 -11.073 -7.455 1.00 14.54 C ATOM 81 CD1 LEU A 6 17.144 -11.087 -7.267 1.00 73.04 C ATOM 82 CD2 LEU A 6 14.930 -10.930 -6.113 1.00 62.51 C ATOM 0 H LEU A 6 13.353 -9.226 -6.953 1.00 3.21 H new ATOM 0 HA LEU A 6 13.677 -9.346 -9.768 1.00 55.11 H new ATOM 0 HB2 LEU A 6 15.869 -9.974 -9.275 1.00 13.11 H new ATOM 0 HB3 LEU A 6 15.408 -8.993 -7.899 1.00 13.11 H new ATOM 0 HG LEU A 6 15.336 -12.022 -7.901 1.00 14.54 H new ATOM 0 HD11 LEU A 6 17.419 -11.898 -6.592 1.00 73.04 H new ATOM 0 HD12 LEU A 6 17.629 -11.237 -8.231 1.00 73.04 H new ATOM 0 HD13 LEU A 6 17.467 -10.136 -6.842 1.00 73.04 H new ATOM 0 HD21 LEU A 6 15.235 -11.742 -5.453 1.00 62.51 H new ATOM 0 HD22 LEU A 6 15.198 -9.975 -5.661 1.00 62.51 H new ATOM 0 HD23 LEU A 6 13.851 -10.970 -6.263 1.00 62.51 H new ATOM 94 N ASP A 7 12.653 -12.038 -8.300 1.00 54.43 N ATOM 95 CA ASP A 7 12.193 -13.405 -8.512 1.00 72.32 C ATOM 96 C ASP A 7 10.934 -13.428 -9.373 1.00 73.03 C ATOM 97 O ASP A 7 10.403 -14.493 -9.687 1.00 12.34 O ATOM 98 CB ASP A 7 11.921 -14.088 -7.171 1.00 33.11 C ATOM 99 CG ASP A 7 12.474 -15.499 -7.117 1.00 12.44 C ATOM 100 OD1 ASP A 7 13.707 -15.657 -7.231 1.00 24.43 O ATOM 101 OD2 ASP A 7 11.673 -16.444 -6.959 1.00 41.31 O ATOM 0 H ASP A 7 12.392 -11.640 -7.398 1.00 54.43 H new ATOM 0 HA ASP A 7 12.979 -13.949 -9.035 1.00 72.32 H new ATOM 0 HB2 ASP A 7 12.363 -13.497 -6.369 1.00 33.11 H new ATOM 0 HB3 ASP A 7 10.846 -14.115 -6.992 1.00 33.11 H new ATOM 106 N GLY A 8 10.460 -12.245 -9.752 1.00 2.40 N ATOM 107 CA GLY A 8 9.267 -12.151 -10.572 1.00 75.21 C ATOM 108 C GLY A 8 8.000 -12.065 -9.744 1.00 74.43 C ATOM 109 O GLY A 8 6.916 -11.830 -10.277 1.00 42.03 O ATOM 0 H GLY A 8 10.882 -11.350 -9.505 1.00 2.40 H new ATOM 0 HA2 GLY A 8 9.339 -11.272 -11.213 1.00 75.21 H new ATOM 0 HA3 GLY A 8 9.211 -13.020 -11.227 1.00 75.21 H new ATOM 113 N GLY A 9 8.135 -12.259 -8.436 1.00 1.43 N ATOM 114 CA GLY A 9 6.984 -12.200 -7.554 1.00 51.40 C ATOM 115 C GLY A 9 6.717 -10.798 -7.042 1.00 54.05 C ATOM 116 O GLY A 9 7.449 -9.861 -7.362 1.00 65.32 O ATOM 0 H GLY A 9 9.021 -12.456 -7.971 1.00 1.43 H new ATOM 0 HA2 GLY A 9 6.104 -12.563 -8.085 1.00 51.40 H new ATOM 0 HA3 GLY A 9 7.144 -12.868 -6.708 1.00 51.40 H new ATOM 120 N THR A 10 5.662 -10.651 -6.246 1.00 62.21 N ATOM 121 CA THR A 10 5.298 -9.354 -5.692 1.00 11.44 C ATOM 122 C THR A 10 5.552 -9.307 -4.189 1.00 50.33 C ATOM 123 O THR A 10 5.381 -10.305 -3.491 1.00 33.03 O ATOM 124 CB THR A 10 3.818 -9.023 -5.961 1.00 73.11 C ATOM 125 OG1 THR A 10 3.013 -10.193 -5.774 1.00 52.52 O ATOM 126 CG2 THR A 10 3.630 -8.493 -7.375 1.00 3.25 C ATOM 0 H THR A 10 5.045 -11.415 -5.971 1.00 62.21 H new ATOM 0 HA THR A 10 5.924 -8.612 -6.187 1.00 11.44 H new ATOM 0 HB THR A 10 3.507 -8.252 -5.257 1.00 73.11 H new ATOM 0 HG1 THR A 10 2.073 -9.974 -5.945 1.00 52.52 H new ATOM 0 HG21 THR A 10 2.577 -8.266 -7.542 1.00 3.25 H new ATOM 0 HG22 THR A 10 4.221 -7.587 -7.505 1.00 3.25 H new ATOM 0 HG23 THR A 10 3.957 -9.246 -8.092 1.00 3.25 H new ATOM 134 N GLU A 11 5.961 -8.141 -3.699 1.00 14.50 N ATOM 135 CA GLU A 11 6.238 -7.965 -2.278 1.00 60.12 C ATOM 136 C GLU A 11 5.486 -6.759 -1.722 1.00 25.21 C ATOM 137 O GLU A 11 5.272 -5.772 -2.424 1.00 14.31 O ATOM 138 CB GLU A 11 7.741 -7.795 -2.047 1.00 11.44 C ATOM 139 CG GLU A 11 8.318 -6.544 -2.689 1.00 73.31 C ATOM 140 CD GLU A 11 9.589 -6.073 -2.010 1.00 13.32 C ATOM 141 OE1 GLU A 11 9.582 -5.936 -0.768 1.00 74.14 O ATOM 142 OE2 GLU A 11 10.590 -5.840 -2.719 1.00 31.01 O ATOM 0 H GLU A 11 6.108 -7.305 -4.264 1.00 14.50 H new ATOM 0 HA GLU A 11 5.896 -8.857 -1.753 1.00 60.12 H new ATOM 0 HB2 GLU A 11 7.934 -7.765 -0.975 1.00 11.44 H new ATOM 0 HB3 GLU A 11 8.262 -8.668 -2.440 1.00 11.44 H new ATOM 0 HG2 GLU A 11 8.524 -6.742 -3.741 1.00 73.31 H new ATOM 0 HG3 GLU A 11 7.575 -5.747 -2.655 1.00 73.31 H new ATOM 149 N GLU A 12 5.090 -6.849 -0.456 1.00 55.13 N ATOM 150 CA GLU A 12 4.361 -5.766 0.194 1.00 52.15 C ATOM 151 C GLU A 12 5.324 -4.760 0.818 1.00 33.22 C ATOM 152 O GLU A 12 6.057 -5.084 1.753 1.00 12.42 O ATOM 153 CB GLU A 12 3.423 -6.324 1.266 1.00 74.03 C ATOM 154 CG GLU A 12 4.121 -7.209 2.285 1.00 51.51 C ATOM 155 CD GLU A 12 3.468 -8.571 2.420 1.00 41.52 C ATOM 156 OE1 GLU A 12 2.241 -8.621 2.646 1.00 22.34 O ATOM 157 OE2 GLU A 12 4.185 -9.586 2.298 1.00 0.03 O ATOM 0 H GLU A 12 5.261 -7.659 0.139 1.00 55.13 H new ATOM 0 HA GLU A 12 3.769 -5.254 -0.565 1.00 52.15 H new ATOM 0 HB2 GLU A 12 2.944 -5.494 1.786 1.00 74.03 H new ATOM 0 HB3 GLU A 12 2.631 -6.896 0.782 1.00 74.03 H new ATOM 0 HG2 GLU A 12 5.164 -7.337 1.995 1.00 51.51 H new ATOM 0 HG3 GLU A 12 4.119 -6.711 3.255 1.00 51.51 H new ATOM 164 N CYS A 13 5.317 -3.539 0.294 1.00 35.13 N ATOM 165 CA CYS A 13 6.189 -2.485 0.798 1.00 32.21 C ATOM 166 C CYS A 13 5.511 -1.711 1.925 1.00 42.42 C ATOM 167 O CYS A 13 4.330 -1.374 1.837 1.00 31.34 O ATOM 168 CB CYS A 13 6.574 -1.529 -0.333 1.00 23.43 C ATOM 169 SG CYS A 13 7.698 -2.255 -1.569 1.00 73.54 S ATOM 0 H CYS A 13 4.717 -3.255 -0.480 1.00 35.13 H new ATOM 0 HA CYS A 13 7.091 -2.952 1.193 1.00 32.21 H new ATOM 0 HB2 CYS A 13 5.667 -1.193 -0.835 1.00 23.43 H new ATOM 0 HB3 CYS A 13 7.046 -0.646 0.097 1.00 23.43 H new ATOM 174 N ILE A 14 6.267 -1.431 2.981 1.00 64.00 N ATOM 175 CA ILE A 14 5.741 -0.695 4.124 1.00 73.33 C ATOM 176 C ILE A 14 5.851 0.810 3.906 1.00 11.14 C ATOM 177 O ILE A 14 6.899 1.333 3.528 1.00 64.41 O ATOM 178 CB ILE A 14 6.478 -1.070 5.423 1.00 34.40 C ATOM 179 CG1 ILE A 14 6.859 -2.552 5.409 1.00 22.01 C ATOM 180 CG2 ILE A 14 5.613 -0.752 6.633 1.00 35.03 C ATOM 181 CD1 ILE A 14 7.511 -3.020 6.691 1.00 34.35 C ATOM 0 H ILE A 14 7.246 -1.703 3.069 1.00 64.00 H new ATOM 0 HA ILE A 14 4.691 -0.970 4.220 1.00 73.33 H new ATOM 0 HB ILE A 14 7.392 -0.479 5.488 1.00 34.40 H new ATOM 0 HG12 ILE A 14 5.964 -3.147 5.228 1.00 22.01 H new ATOM 0 HG13 ILE A 14 7.538 -2.736 4.577 1.00 22.01 H new ATOM 0 HG21 ILE A 14 6.148 -1.023 7.544 1.00 35.03 H new ATOM 0 HG22 ILE A 14 5.387 0.314 6.648 1.00 35.03 H new ATOM 0 HG23 ILE A 14 4.684 -1.319 6.575 1.00 35.03 H new ATOM 0 HD11 ILE A 14 7.754 -4.079 6.610 1.00 34.35 H new ATOM 0 HD12 ILE A 14 8.424 -2.450 6.864 1.00 34.35 H new ATOM 0 HD13 ILE A 14 6.825 -2.868 7.525 1.00 34.35 H new ATOM 193 N PRO A 15 4.744 1.526 4.153 1.00 53.01 N ATOM 194 CA PRO A 15 4.691 2.982 3.993 1.00 10.34 C ATOM 195 C PRO A 15 5.516 3.711 5.049 1.00 54.33 C ATOM 196 O PRO A 15 5.690 4.927 4.983 1.00 13.45 O ATOM 197 CB PRO A 15 3.204 3.304 4.161 1.00 72.23 C ATOM 198 CG PRO A 15 2.666 2.189 4.989 1.00 21.43 C ATOM 199 CD PRO A 15 3.458 0.969 4.607 1.00 44.12 C ATOM 0 HA PRO A 15 5.105 3.302 3.037 1.00 10.34 H new ATOM 0 HB2 PRO A 15 3.060 4.267 4.652 1.00 72.23 H new ATOM 0 HB3 PRO A 15 2.700 3.360 3.196 1.00 72.23 H new ATOM 0 HG2 PRO A 15 2.772 2.406 6.052 1.00 21.43 H new ATOM 0 HG3 PRO A 15 1.603 2.039 4.799 1.00 21.43 H new ATOM 0 HD2 PRO A 15 3.589 0.294 5.453 1.00 44.12 H new ATOM 0 HD3 PRO A 15 2.965 0.401 3.818 1.00 44.12 H new ATOM 207 N GLY A 16 6.022 2.959 6.021 1.00 10.34 N ATOM 208 CA GLY A 16 6.823 3.552 7.077 1.00 73.23 C ATOM 209 C GLY A 16 8.289 3.182 6.969 1.00 51.30 C ATOM 210 O GLY A 16 9.069 3.436 7.888 1.00 53.05 O ATOM 0 H GLY A 16 5.892 1.950 6.097 1.00 10.34 H new ATOM 0 HA2 GLY A 16 6.721 4.637 7.040 1.00 73.23 H new ATOM 0 HA3 GLY A 16 6.440 3.228 8.045 1.00 73.23 H new ATOM 214 N ILE A 17 8.665 2.580 5.846 1.00 54.12 N ATOM 215 CA ILE A 17 10.047 2.175 5.622 1.00 33.44 C ATOM 216 C ILE A 17 10.436 2.332 4.156 1.00 32.04 C ATOM 217 O ILE A 17 11.403 3.021 3.830 1.00 31.34 O ATOM 218 CB ILE A 17 10.281 0.714 6.050 1.00 20.21 C ATOM 219 CG1 ILE A 17 9.720 0.474 7.453 1.00 10.03 C ATOM 220 CG2 ILE A 17 11.764 0.379 6.003 1.00 44.44 C ATOM 221 CD1 ILE A 17 9.907 -0.944 7.945 1.00 72.45 C ATOM 0 H ILE A 17 8.032 2.362 5.077 1.00 54.12 H new ATOM 0 HA ILE A 17 10.670 2.829 6.232 1.00 33.44 H new ATOM 0 HB ILE A 17 9.758 0.059 5.353 1.00 20.21 H new ATOM 0 HG12 ILE A 17 10.203 1.158 8.150 1.00 10.03 H new ATOM 0 HG13 ILE A 17 8.657 0.714 7.456 1.00 10.03 H new ATOM 0 HG21 ILE A 17 11.913 -0.657 6.308 1.00 44.44 H new ATOM 0 HG22 ILE A 17 12.136 0.515 4.987 1.00 44.44 H new ATOM 0 HG23 ILE A 17 12.308 1.038 6.680 1.00 44.44 H new ATOM 0 HD11 ILE A 17 9.485 -1.041 8.946 1.00 72.45 H new ATOM 0 HD12 ILE A 17 9.400 -1.633 7.270 1.00 72.45 H new ATOM 0 HD13 ILE A 17 10.970 -1.182 7.975 1.00 72.45 H new ATOM 233 N TYR A 18 9.675 1.691 3.276 1.00 22.43 N ATOM 234 CA TYR A 18 9.940 1.759 1.844 1.00 23.51 C ATOM 235 C TYR A 18 8.988 2.734 1.159 1.00 32.04 C ATOM 236 O TYR A 18 7.776 2.525 1.141 1.00 14.30 O ATOM 237 CB TYR A 18 9.808 0.371 1.213 1.00 12.43 C ATOM 238 CG TYR A 18 10.477 -0.724 2.013 1.00 52.22 C ATOM 239 CD1 TYR A 18 11.775 -0.572 2.484 1.00 21.43 C ATOM 240 CD2 TYR A 18 9.811 -1.910 2.296 1.00 64.11 C ATOM 241 CE1 TYR A 18 12.391 -1.571 3.215 1.00 52.54 C ATOM 242 CE2 TYR A 18 10.419 -2.913 3.027 1.00 54.14 C ATOM 243 CZ TYR A 18 11.708 -2.739 3.484 1.00 43.54 C ATOM 244 OH TYR A 18 12.317 -3.736 4.211 1.00 41.34 O ATOM 0 H TYR A 18 8.870 1.118 3.529 1.00 22.43 H new ATOM 0 HA TYR A 18 10.960 2.118 1.706 1.00 23.51 H new ATOM 0 HB2 TYR A 18 8.751 0.132 1.099 1.00 12.43 H new ATOM 0 HB3 TYR A 18 10.239 0.394 0.212 1.00 12.43 H new ATOM 0 HD1 TYR A 18 12.312 0.342 2.276 1.00 21.43 H new ATOM 0 HD2 TYR A 18 8.801 -2.050 1.939 1.00 64.11 H new ATOM 0 HE1 TYR A 18 13.401 -1.438 3.573 1.00 52.54 H new ATOM 0 HE2 TYR A 18 9.887 -3.829 3.239 1.00 54.14 H new ATOM 0 HH TYR A 18 11.700 -4.490 4.313 1.00 41.34 H new ATOM 254 N ASN A 19 9.547 3.800 0.597 1.00 42.34 N ATOM 255 CA ASN A 19 8.749 4.809 -0.090 1.00 52.30 C ATOM 256 C ASN A 19 9.161 4.925 -1.554 1.00 43.33 C ATOM 257 O ASN A 19 8.481 5.569 -2.353 1.00 74.12 O ATOM 258 CB ASN A 19 8.898 6.165 0.602 1.00 12.54 C ATOM 259 CG ASN A 19 10.158 6.896 0.179 1.00 74.32 C ATOM 260 OD1 ASN A 19 10.136 7.708 -0.746 1.00 2.32 O ATOM 261 ND2 ASN A 19 11.264 6.608 0.855 1.00 14.22 N ATOM 0 H ASN A 19 10.550 3.988 0.604 1.00 42.34 H new ATOM 0 HA ASN A 19 7.705 4.500 -0.048 1.00 52.30 H new ATOM 0 HB2 ASN A 19 8.029 6.783 0.375 1.00 12.54 H new ATOM 0 HB3 ASN A 19 8.911 6.019 1.682 1.00 12.54 H new ATOM 0 HD21 ASN A 19 12.143 7.067 0.615 1.00 14.22 H new ATOM 0 HD22 ASN A 19 11.235 5.928 1.615 1.00 14.22 H new ATOM 268 N VAL A 20 10.281 4.297 -1.900 1.00 13.22 N ATOM 269 CA VAL A 20 10.784 4.328 -3.268 1.00 14.01 C ATOM 270 C VAL A 20 10.779 2.935 -3.887 1.00 22.34 C ATOM 271 O VAL A 20 10.527 1.941 -3.204 1.00 53.24 O ATOM 272 CB VAL A 20 12.213 4.900 -3.328 1.00 35.21 C ATOM 273 CG1 VAL A 20 12.223 6.357 -2.892 1.00 44.12 C ATOM 274 CG2 VAL A 20 13.154 4.071 -2.468 1.00 23.42 C ATOM 0 H VAL A 20 10.857 3.761 -1.251 1.00 13.22 H new ATOM 0 HA VAL A 20 10.117 4.977 -3.836 1.00 14.01 H new ATOM 0 HB VAL A 20 12.563 4.852 -4.359 1.00 35.21 H new ATOM 0 HG11 VAL A 20 13.241 6.744 -2.941 1.00 44.12 H new ATOM 0 HG12 VAL A 20 11.581 6.939 -3.553 1.00 44.12 H new ATOM 0 HG13 VAL A 20 11.854 6.433 -1.869 1.00 44.12 H new ATOM 0 HG21 VAL A 20 14.159 4.489 -2.522 1.00 23.42 H new ATOM 0 HG22 VAL A 20 12.810 4.086 -1.434 1.00 23.42 H new ATOM 0 HG23 VAL A 20 13.168 3.043 -2.831 1.00 23.42 H new ATOM 284 N CYS A 21 11.061 2.868 -5.184 1.00 13.44 N ATOM 285 CA CYS A 21 11.090 1.597 -5.896 1.00 73.12 C ATOM 286 C CYS A 21 11.936 1.702 -7.162 1.00 21.34 C ATOM 287 O CYS A 21 11.941 2.732 -7.835 1.00 12.41 O ATOM 288 CB CYS A 21 9.669 1.157 -6.255 1.00 31.11 C ATOM 289 SG CYS A 21 8.655 2.465 -7.017 1.00 24.04 S ATOM 0 H CYS A 21 11.273 3.680 -5.763 1.00 13.44 H new ATOM 0 HA CYS A 21 11.540 0.852 -5.240 1.00 73.12 H new ATOM 0 HB2 CYS A 21 9.724 0.310 -6.939 1.00 31.11 H new ATOM 0 HB3 CYS A 21 9.170 0.805 -5.352 1.00 31.11 H new ATOM 294 N VAL A 22 12.651 0.627 -7.479 1.00 45.31 N ATOM 295 CA VAL A 22 13.501 0.597 -8.664 1.00 12.01 C ATOM 296 C VAL A 22 13.317 -0.703 -9.439 1.00 54.20 C ATOM 297 O VAL A 22 13.213 -1.780 -8.851 1.00 2.22 O ATOM 298 CB VAL A 22 14.987 0.754 -8.293 1.00 4.51 C ATOM 299 CG1 VAL A 22 15.875 0.211 -9.402 1.00 21.41 C ATOM 300 CG2 VAL A 22 15.313 2.212 -8.005 1.00 13.40 C ATOM 0 H VAL A 22 12.659 -0.234 -6.932 1.00 45.31 H new ATOM 0 HA VAL A 22 13.200 1.437 -9.291 1.00 12.01 H new ATOM 0 HB VAL A 22 15.180 0.176 -7.389 1.00 4.51 H new ATOM 0 HG11 VAL A 22 16.922 0.331 -9.122 1.00 21.41 H new ATOM 0 HG12 VAL A 22 15.659 -0.846 -9.556 1.00 21.41 H new ATOM 0 HG13 VAL A 22 15.681 0.759 -10.324 1.00 21.41 H new ATOM 0 HG21 VAL A 22 16.367 2.304 -7.744 1.00 13.40 H new ATOM 0 HG22 VAL A 22 15.104 2.813 -8.890 1.00 13.40 H new ATOM 0 HG23 VAL A 22 14.702 2.564 -7.174 1.00 13.40 H new ATOM 310 N HIS A 23 13.277 -0.595 -10.763 1.00 72.13 N ATOM 311 CA HIS A 23 13.106 -1.763 -11.621 1.00 2.15 C ATOM 312 C HIS A 23 14.234 -1.855 -12.643 1.00 64.54 C ATOM 313 O HIS A 23 14.332 -1.029 -13.551 1.00 22.20 O ATOM 314 CB HIS A 23 11.757 -1.703 -12.337 1.00 34.45 C ATOM 315 CG HIS A 23 11.486 -2.894 -13.204 1.00 35.14 C ATOM 316 ND1 HIS A 23 10.373 -2.999 -14.012 1.00 3.01 N ATOM 317 CD2 HIS A 23 12.191 -4.034 -13.387 1.00 61.53 C ATOM 318 CE1 HIS A 23 10.406 -4.153 -14.654 1.00 34.11 C ATOM 319 NE2 HIS A 23 11.499 -4.800 -14.293 1.00 31.21 N ATOM 0 H HIS A 23 13.361 0.289 -11.265 1.00 72.13 H new ATOM 0 HA HIS A 23 13.135 -2.653 -10.992 1.00 2.15 H new ATOM 0 HB2 HIS A 23 10.964 -1.617 -11.594 1.00 34.45 H new ATOM 0 HB3 HIS A 23 11.720 -0.802 -12.949 1.00 34.45 H new ATOM 0 HD1 HIS A 23 9.639 -2.296 -14.100 1.00 3.01 H new ATOM 0 HD2 HIS A 23 13.124 -4.293 -12.910 1.00 61.53 H new ATOM 0 HE1 HIS A 23 9.665 -4.507 -15.355 1.00 34.11 H new ATOM 327 N TYR A 24 15.084 -2.865 -12.490 1.00 0.11 N ATOM 328 CA TYR A 24 16.207 -3.063 -13.398 1.00 63.41 C ATOM 329 C TYR A 24 15.913 -4.183 -14.392 1.00 0.11 C ATOM 330 O TYR A 24 15.757 -5.343 -14.011 1.00 31.23 O ATOM 331 CB TYR A 24 17.477 -3.387 -12.609 1.00 61.42 C ATOM 332 CG TYR A 24 18.730 -3.397 -13.456 1.00 11.34 C ATOM 333 CD1 TYR A 24 18.979 -4.428 -14.352 1.00 72.42 C ATOM 334 CD2 TYR A 24 19.665 -2.373 -13.359 1.00 55.11 C ATOM 335 CE1 TYR A 24 20.123 -4.441 -15.127 1.00 34.22 C ATOM 336 CE2 TYR A 24 20.810 -2.377 -14.131 1.00 4.31 C ATOM 337 CZ TYR A 24 21.035 -3.413 -15.013 1.00 21.23 C ATOM 338 OH TYR A 24 22.175 -3.422 -15.784 1.00 10.44 O ATOM 0 H TYR A 24 15.016 -3.559 -11.746 1.00 0.11 H new ATOM 0 HA TYR A 24 16.359 -2.138 -13.954 1.00 63.41 H new ATOM 0 HB2 TYR A 24 17.595 -2.655 -11.810 1.00 61.42 H new ATOM 0 HB3 TYR A 24 17.361 -4.362 -12.135 1.00 61.42 H new ATOM 0 HD1 TYR A 24 18.266 -5.234 -14.445 1.00 72.42 H new ATOM 0 HD2 TYR A 24 19.493 -1.561 -12.668 1.00 55.11 H new ATOM 0 HE1 TYR A 24 20.302 -5.252 -15.818 1.00 34.22 H new ATOM 0 HE2 TYR A 24 21.526 -1.573 -14.044 1.00 4.31 H new ATOM 0 HH TYR A 24 21.945 -3.665 -16.705 1.00 10.44 H new ATOM 348 N LYS A 25 15.839 -3.826 -15.670 1.00 23.32 N ATOM 349 CA LYS A 25 15.566 -4.799 -16.721 1.00 40.44 C ATOM 350 C LYS A 25 16.621 -4.723 -17.820 1.00 42.43 C ATOM 351 O LYS A 25 16.741 -3.710 -18.509 1.00 45.34 O ATOM 352 CB LYS A 25 14.176 -4.560 -17.317 1.00 5.15 C ATOM 353 CG LYS A 25 13.865 -5.448 -18.509 1.00 34.04 C ATOM 354 CD LYS A 25 13.757 -6.908 -18.103 1.00 21.40 C ATOM 355 CE LYS A 25 13.140 -7.750 -19.210 1.00 24.35 C ATOM 356 NZ LYS A 25 14.134 -8.095 -20.264 1.00 2.23 N ATOM 0 H LYS A 25 15.964 -2.870 -16.003 1.00 23.32 H new ATOM 0 HA LYS A 25 15.599 -5.794 -16.278 1.00 40.44 H new ATOM 0 HB2 LYS A 25 13.425 -4.727 -16.545 1.00 5.15 H new ATOM 0 HB3 LYS A 25 14.095 -3.516 -17.621 1.00 5.15 H new ATOM 0 HG2 LYS A 25 12.930 -5.127 -18.969 1.00 34.04 H new ATOM 0 HG3 LYS A 25 14.646 -5.335 -19.261 1.00 34.04 H new ATOM 0 HD2 LYS A 25 14.747 -7.293 -17.860 1.00 21.40 H new ATOM 0 HD3 LYS A 25 13.152 -6.992 -17.200 1.00 21.40 H new ATOM 0 HE2 LYS A 25 12.730 -8.666 -18.784 1.00 24.35 H new ATOM 0 HE3 LYS A 25 12.308 -7.207 -19.659 1.00 24.35 H new ATOM 0 HZ1 LYS A 25 13.675 -8.669 -21.000 1.00 2.23 H new ATOM 0 HZ2 LYS A 25 14.507 -7.222 -20.688 1.00 2.23 H new ATOM 0 HZ3 LYS A 25 14.915 -8.636 -19.841 1.00 2.23 H new ATOM 370 N SER A 26 17.382 -5.801 -17.979 1.00 44.42 N ATOM 371 CA SER A 26 18.429 -5.855 -18.993 1.00 50.41 C ATOM 372 C SER A 26 18.364 -7.165 -19.771 1.00 61.34 C ATOM 373 O SER A 26 17.767 -8.140 -19.316 1.00 71.15 O ATOM 374 CB SER A 26 19.806 -5.701 -18.344 1.00 32.41 C ATOM 375 OG SER A 26 20.067 -4.348 -18.016 1.00 43.21 O ATOM 0 H SER A 26 17.293 -6.649 -17.419 1.00 44.42 H new ATOM 0 HA SER A 26 18.270 -5.031 -19.689 1.00 50.41 H new ATOM 0 HB2 SER A 26 19.857 -6.313 -17.444 1.00 32.41 H new ATOM 0 HB3 SER A 26 20.575 -6.068 -19.024 1.00 32.41 H new ATOM 0 HG SER A 26 19.741 -4.162 -17.111 1.00 43.21 H new ATOM 381 N GLU A 27 18.984 -7.179 -20.948 1.00 34.14 N ATOM 382 CA GLU A 27 18.996 -8.369 -21.790 1.00 34.31 C ATOM 383 C GLU A 27 19.963 -9.414 -21.241 1.00 72.43 C ATOM 384 O GLU A 27 19.928 -10.578 -21.641 1.00 32.42 O ATOM 385 CB GLU A 27 19.384 -8.003 -23.224 1.00 15.51 C ATOM 386 CG GLU A 27 20.807 -7.489 -23.357 1.00 24.12 C ATOM 387 CD GLU A 27 21.130 -7.020 -24.762 1.00 74.14 C ATOM 388 OE1 GLU A 27 20.850 -5.844 -25.075 1.00 4.24 O ATOM 389 OE2 GLU A 27 21.661 -7.830 -25.550 1.00 64.41 O ATOM 0 H GLU A 27 19.484 -6.380 -21.339 1.00 34.14 H new ATOM 0 HA GLU A 27 17.992 -8.793 -21.790 1.00 34.31 H new ATOM 0 HB2 GLU A 27 19.263 -8.880 -23.859 1.00 15.51 H new ATOM 0 HB3 GLU A 27 18.696 -7.243 -23.595 1.00 15.51 H new ATOM 0 HG2 GLU A 27 20.958 -6.665 -22.659 1.00 24.12 H new ATOM 0 HG3 GLU A 27 21.502 -8.279 -23.073 1.00 24.12 H new ATOM 396 N ASP A 28 20.825 -8.990 -20.324 1.00 41.03 N ATOM 397 CA ASP A 28 21.802 -9.888 -19.720 1.00 21.13 C ATOM 398 C ASP A 28 21.369 -10.296 -18.315 1.00 40.10 C ATOM 399 O ASP A 28 21.764 -11.349 -17.815 1.00 52.22 O ATOM 400 CB ASP A 28 23.177 -9.221 -19.669 1.00 44.32 C ATOM 401 CG ASP A 28 24.307 -10.202 -19.914 1.00 74.21 C ATOM 402 OD1 ASP A 28 24.568 -11.040 -19.026 1.00 21.25 O ATOM 403 OD2 ASP A 28 24.928 -10.133 -20.995 1.00 22.12 O ATOM 0 H ASP A 28 20.867 -8.030 -19.982 1.00 41.03 H new ATOM 0 HA ASP A 28 21.864 -10.784 -20.337 1.00 21.13 H new ATOM 0 HB2 ASP A 28 23.220 -8.428 -20.415 1.00 44.32 H new ATOM 0 HB3 ASP A 28 23.313 -8.750 -18.695 1.00 44.32 H new ATOM 408 N GLU A 29 20.556 -9.454 -17.684 1.00 21.30 N ATOM 409 CA GLU A 29 20.072 -9.727 -16.336 1.00 73.30 C ATOM 410 C GLU A 29 18.817 -8.914 -16.034 1.00 13.53 C ATOM 411 O GLU A 29 18.487 -7.973 -16.755 1.00 13.44 O ATOM 412 CB GLU A 29 21.158 -9.411 -15.306 1.00 21.41 C ATOM 413 CG GLU A 29 21.461 -7.928 -15.176 1.00 61.13 C ATOM 414 CD GLU A 29 22.667 -7.653 -14.299 1.00 32.53 C ATOM 415 OE1 GLU A 29 22.545 -7.795 -13.064 1.00 25.23 O ATOM 416 OE2 GLU A 29 23.731 -7.297 -14.846 1.00 51.20 O ATOM 0 H GLU A 29 20.219 -8.578 -18.084 1.00 21.30 H new ATOM 0 HA GLU A 29 19.822 -10.786 -16.275 1.00 73.30 H new ATOM 0 HB2 GLU A 29 20.849 -9.796 -14.335 1.00 21.41 H new ATOM 0 HB3 GLU A 29 22.072 -9.937 -15.581 1.00 21.41 H new ATOM 0 HG2 GLU A 29 21.634 -7.508 -16.167 1.00 61.13 H new ATOM 0 HG3 GLU A 29 20.591 -7.418 -14.761 1.00 61.13 H new ATOM 423 N GLU A 30 18.122 -9.284 -14.963 1.00 33.42 N ATOM 424 CA GLU A 30 16.902 -8.590 -14.566 1.00 44.22 C ATOM 425 C GLU A 30 16.626 -8.784 -13.078 1.00 55.41 C ATOM 426 O GLU A 30 16.535 -9.912 -12.594 1.00 63.11 O ATOM 427 CB GLU A 30 15.713 -9.092 -15.387 1.00 72.01 C ATOM 428 CG GLU A 30 14.377 -8.532 -14.929 1.00 0.53 C ATOM 429 CD GLU A 30 13.218 -9.022 -15.774 1.00 34.21 C ATOM 430 OE1 GLU A 30 13.466 -9.766 -16.746 1.00 31.43 O ATOM 431 OE2 GLU A 30 12.063 -8.662 -15.464 1.00 72.22 O ATOM 0 H GLU A 30 18.383 -10.060 -14.355 1.00 33.42 H new ATOM 0 HA GLU A 30 17.041 -7.526 -14.756 1.00 44.22 H new ATOM 0 HB2 GLU A 30 15.868 -8.829 -16.433 1.00 72.01 H new ATOM 0 HB3 GLU A 30 15.679 -10.180 -15.333 1.00 72.01 H new ATOM 0 HG2 GLU A 30 14.207 -8.812 -13.889 1.00 0.53 H new ATOM 0 HG3 GLU A 30 14.413 -7.443 -14.964 1.00 0.53 H new ATOM 438 N TYR A 31 16.492 -7.675 -12.358 1.00 64.31 N ATOM 439 CA TYR A 31 16.229 -7.722 -10.925 1.00 11.02 C ATOM 440 C TYR A 31 15.564 -6.433 -10.451 1.00 24.12 C ATOM 441 O TYR A 31 15.598 -5.413 -11.140 1.00 33.15 O ATOM 442 CB TYR A 31 17.529 -7.952 -10.153 1.00 45.02 C ATOM 443 CG TYR A 31 18.538 -6.838 -10.321 1.00 10.05 C ATOM 444 CD1 TYR A 31 18.415 -5.650 -9.610 1.00 71.15 C ATOM 445 CD2 TYR A 31 19.615 -6.974 -11.188 1.00 53.13 C ATOM 446 CE1 TYR A 31 19.334 -4.630 -9.761 1.00 14.50 C ATOM 447 CE2 TYR A 31 20.539 -5.959 -11.344 1.00 21.10 C ATOM 448 CZ TYR A 31 20.394 -4.789 -10.629 1.00 10.24 C ATOM 449 OH TYR A 31 21.312 -3.775 -10.780 1.00 60.02 O ATOM 0 H TYR A 31 16.561 -6.733 -12.744 1.00 64.31 H new ATOM 0 HA TYR A 31 15.549 -8.552 -10.733 1.00 11.02 H new ATOM 0 HB2 TYR A 31 17.298 -8.065 -9.094 1.00 45.02 H new ATOM 0 HB3 TYR A 31 17.977 -8.889 -10.483 1.00 45.02 H new ATOM 0 HD1 TYR A 31 17.587 -5.522 -8.928 1.00 71.15 H new ATOM 0 HD2 TYR A 31 19.732 -7.889 -11.750 1.00 53.13 H new ATOM 0 HE1 TYR A 31 19.223 -3.712 -9.202 1.00 14.50 H new ATOM 0 HE2 TYR A 31 21.370 -6.081 -12.022 1.00 21.10 H new ATOM 0 HH TYR A 31 21.038 -3.193 -11.519 1.00 60.02 H new ATOM 459 N LYS A 32 14.961 -6.487 -9.268 1.00 52.33 N ATOM 460 CA LYS A 32 14.289 -5.325 -8.698 1.00 41.02 C ATOM 461 C LYS A 32 14.520 -5.248 -7.192 1.00 40.54 C ATOM 462 O LYS A 32 14.395 -6.246 -6.484 1.00 23.24 O ATOM 463 CB LYS A 32 12.788 -5.382 -8.992 1.00 64.44 C ATOM 464 CG LYS A 32 12.462 -5.467 -10.473 1.00 73.33 C ATOM 465 CD LYS A 32 12.387 -6.909 -10.946 1.00 62.41 C ATOM 466 CE LYS A 32 11.329 -7.089 -12.024 1.00 42.41 C ATOM 467 NZ LYS A 32 10.746 -8.459 -12.007 1.00 2.21 N ATOM 0 H LYS A 32 14.924 -7.323 -8.685 1.00 52.33 H new ATOM 0 HA LYS A 32 14.709 -4.431 -9.159 1.00 41.02 H new ATOM 0 HB2 LYS A 32 12.359 -6.246 -8.484 1.00 64.44 H new ATOM 0 HB3 LYS A 32 12.310 -4.496 -8.573 1.00 64.44 H new ATOM 0 HG2 LYS A 32 11.511 -4.970 -10.666 1.00 73.33 H new ATOM 0 HG3 LYS A 32 13.222 -4.935 -11.045 1.00 73.33 H new ATOM 0 HD2 LYS A 32 13.358 -7.217 -11.333 1.00 62.41 H new ATOM 0 HD3 LYS A 32 12.161 -7.559 -10.101 1.00 62.41 H new ATOM 0 HE2 LYS A 32 10.536 -6.355 -11.880 1.00 42.41 H new ATOM 0 HE3 LYS A 32 11.770 -6.894 -13.002 1.00 42.41 H new ATOM 0 HZ1 LYS A 32 9.738 -8.411 -12.260 1.00 2.21 H new ATOM 0 HZ2 LYS A 32 11.247 -9.058 -12.694 1.00 2.21 H new ATOM 0 HZ3 LYS A 32 10.844 -8.866 -11.055 1.00 2.21 H new ATOM 481 N SER A 33 14.856 -4.055 -6.710 1.00 72.33 N ATOM 482 CA SER A 33 15.106 -3.848 -5.289 1.00 22.53 C ATOM 483 C SER A 33 15.158 -2.360 -4.957 1.00 71.20 C ATOM 484 O SER A 33 15.612 -1.548 -5.763 1.00 53.35 O ATOM 485 CB SER A 33 16.418 -4.520 -4.877 1.00 72.13 C ATOM 486 OG SER A 33 16.225 -5.900 -4.618 1.00 12.22 O ATOM 0 H SER A 33 14.961 -3.218 -7.283 1.00 72.33 H new ATOM 0 HA SER A 33 14.284 -4.298 -4.732 1.00 22.53 H new ATOM 0 HB2 SER A 33 17.158 -4.395 -5.668 1.00 72.13 H new ATOM 0 HB3 SER A 33 16.816 -4.032 -3.987 1.00 72.13 H new ATOM 0 HG SER A 33 15.382 -6.194 -5.021 1.00 12.22 H new ATOM 492 N CYS A 34 14.690 -2.010 -3.764 1.00 15.21 N ATOM 493 CA CYS A 34 14.681 -0.620 -3.323 1.00 72.13 C ATOM 494 C CYS A 34 14.081 -0.496 -1.926 1.00 34.43 C ATOM 495 O CYS A 34 13.864 -1.495 -1.241 1.00 71.30 O ATOM 496 CB CYS A 34 13.891 0.244 -4.308 1.00 15.01 C ATOM 497 SG CYS A 34 14.692 1.828 -4.716 1.00 12.42 S ATOM 0 H CYS A 34 14.312 -2.670 -3.085 1.00 15.21 H new ATOM 0 HA CYS A 34 15.712 -0.269 -3.288 1.00 72.13 H new ATOM 0 HB2 CYS A 34 13.737 -0.321 -5.228 1.00 15.01 H new ATOM 0 HB3 CYS A 34 12.905 0.445 -3.889 1.00 15.01 H new ATOM 0 HG CYS A 34 15.874 1.868 -4.177 1.00 12.42 H new ATOM 502 N GLY A 35 13.814 0.738 -1.509 1.00 61.21 N ATOM 503 CA GLY A 35 13.242 0.970 -0.196 1.00 15.10 C ATOM 504 C GLY A 35 13.191 2.442 0.163 1.00 42.05 C ATOM 505 O GLY A 35 12.142 3.078 0.056 1.00 21.12 O ATOM 0 H GLY A 35 13.984 1.581 -2.057 1.00 61.21 H new ATOM 0 HA2 GLY A 35 12.234 0.556 -0.164 1.00 15.10 H new ATOM 0 HA3 GLY A 35 13.829 0.437 0.552 1.00 15.10 H new ATOM 509 N ILE A 36 14.326 2.984 0.590 1.00 45.43 N ATOM 510 CA ILE A 36 14.407 4.390 0.966 1.00 52.44 C ATOM 511 C ILE A 36 15.200 5.190 -0.063 1.00 21.15 C ATOM 512 O ILE A 36 16.244 4.744 -0.538 1.00 51.00 O ATOM 513 CB ILE A 36 15.058 4.567 2.350 1.00 61.30 C ATOM 514 CG1 ILE A 36 16.290 3.668 2.476 1.00 11.04 C ATOM 515 CG2 ILE A 36 14.055 4.257 3.451 1.00 54.13 C ATOM 516 CD1 ILE A 36 17.023 3.829 3.790 1.00 72.40 C ATOM 0 H ILE A 36 15.203 2.471 0.684 1.00 45.43 H new ATOM 0 HA ILE A 36 13.384 4.765 1.005 1.00 52.44 H new ATOM 0 HB ILE A 36 15.375 5.604 2.456 1.00 61.30 H new ATOM 0 HG12 ILE A 36 15.984 2.628 2.365 1.00 11.04 H new ATOM 0 HG13 ILE A 36 16.975 3.888 1.657 1.00 11.04 H new ATOM 0 HG21 ILE A 36 14.530 4.387 4.423 1.00 54.13 H new ATOM 0 HG22 ILE A 36 13.205 4.934 3.370 1.00 54.13 H new ATOM 0 HG23 ILE A 36 13.710 3.228 3.350 1.00 54.13 H new ATOM 0 HD11 ILE A 36 17.885 3.162 3.810 1.00 72.40 H new ATOM 0 HD12 ILE A 36 17.360 4.860 3.895 1.00 72.40 H new ATOM 0 HD13 ILE A 36 16.353 3.581 4.613 1.00 72.40 H new ATOM 528 N GLN A 37 14.698 6.374 -0.399 1.00 70.51 N ATOM 529 CA GLN A 37 15.361 7.236 -1.370 1.00 71.22 C ATOM 530 C GLN A 37 16.835 7.415 -1.022 1.00 70.02 C ATOM 531 O GLN A 37 17.676 7.574 -1.906 1.00 53.24 O ATOM 532 CB GLN A 37 14.669 8.599 -1.429 1.00 63.14 C ATOM 533 CG GLN A 37 15.109 9.454 -2.607 1.00 60.41 C ATOM 534 CD GLN A 37 14.079 9.489 -3.719 1.00 1.40 C ATOM 535 OE1 GLN A 37 13.924 8.372 -4.419 1.00 31.51 O flip ATOM 536 NE2 GLN A 37 13.430 10.511 -3.947 1.00 31.53 N flip ATOM 0 H GLN A 37 13.835 6.758 -0.013 1.00 70.51 H new ATOM 0 HA GLN A 37 15.293 6.759 -2.348 1.00 71.22 H new ATOM 0 HB2 GLN A 37 13.591 8.448 -1.483 1.00 63.14 H new ATOM 0 HB3 GLN A 37 14.869 9.139 -0.504 1.00 63.14 H new ATOM 0 HG2 GLN A 37 15.301 10.470 -2.262 1.00 60.41 H new ATOM 0 HG3 GLN A 37 16.050 9.068 -3.000 1.00 60.41 H new ATOM 0 HE21 GLN A 37 13.582 11.348 -3.384 1.00 31.53 H new ATOM 0 HE22 GLN A 37 12.741 10.520 -4.699 1.00 31.53 H new ATOM 545 N GLU A 38 17.140 7.388 0.271 1.00 1.15 N ATOM 546 CA GLU A 38 18.513 7.549 0.735 1.00 22.02 C ATOM 547 C GLU A 38 19.398 6.419 0.217 1.00 44.32 C ATOM 548 O GLU A 38 20.553 6.639 -0.147 1.00 1.53 O ATOM 549 CB GLU A 38 18.557 7.586 2.264 1.00 25.33 C ATOM 550 CG GLU A 38 19.960 7.735 2.829 1.00 22.41 C ATOM 551 CD GLU A 38 20.020 7.466 4.320 1.00 22.52 C ATOM 552 OE1 GLU A 38 18.967 7.143 4.908 1.00 21.14 O ATOM 553 OE2 GLU A 38 21.121 7.578 4.899 1.00 65.43 O ATOM 0 H GLU A 38 16.456 7.256 1.016 1.00 1.15 H new ATOM 0 HA GLU A 38 18.893 8.493 0.345 1.00 22.02 H new ATOM 0 HB2 GLU A 38 17.942 8.414 2.617 1.00 25.33 H new ATOM 0 HB3 GLU A 38 18.113 6.670 2.654 1.00 25.33 H new ATOM 0 HG2 GLU A 38 20.630 7.048 2.312 1.00 22.41 H new ATOM 0 HG3 GLU A 38 20.322 8.744 2.631 1.00 22.41 H new ATOM 560 N GLU A 39 18.848 5.210 0.187 1.00 35.30 N ATOM 561 CA GLU A 39 19.588 4.045 -0.285 1.00 54.52 C ATOM 562 C GLU A 39 19.495 3.921 -1.803 1.00 42.24 C ATOM 563 O GLU A 39 20.487 3.639 -2.476 1.00 43.02 O ATOM 564 CB GLU A 39 19.054 2.772 0.375 1.00 5.31 C ATOM 565 CG GLU A 39 19.500 2.603 1.818 1.00 72.42 C ATOM 566 CD GLU A 39 18.931 1.353 2.461 1.00 71.32 C ATOM 567 OE1 GLU A 39 17.713 1.116 2.323 1.00 73.31 O ATOM 568 OE2 GLU A 39 19.705 0.611 3.102 1.00 51.30 O ATOM 0 H GLU A 39 17.893 5.011 0.484 1.00 35.30 H new ATOM 0 HA GLU A 39 20.635 4.176 -0.011 1.00 54.52 H new ATOM 0 HB2 GLU A 39 17.965 2.783 0.339 1.00 5.31 H new ATOM 0 HB3 GLU A 39 19.383 1.908 -0.202 1.00 5.31 H new ATOM 0 HG2 GLU A 39 20.589 2.563 1.856 1.00 72.42 H new ATOM 0 HG3 GLU A 39 19.193 3.476 2.394 1.00 72.42 H new ATOM 575 N CYS A 40 18.297 4.133 -2.337 1.00 13.24 N ATOM 576 CA CYS A 40 18.072 4.044 -3.774 1.00 43.53 C ATOM 577 C CYS A 40 18.896 5.091 -4.519 1.00 50.11 C ATOM 578 O CYS A 40 19.401 4.835 -5.611 1.00 63.23 O ATOM 579 CB CYS A 40 16.587 4.228 -4.092 1.00 71.20 C ATOM 580 SG CYS A 40 15.760 2.715 -4.680 1.00 61.11 S ATOM 0 H CYS A 40 17.466 4.368 -1.795 1.00 13.24 H new ATOM 0 HA CYS A 40 18.387 3.055 -4.105 1.00 43.53 H new ATOM 0 HB2 CYS A 40 16.076 4.584 -3.197 1.00 71.20 H new ATOM 0 HB3 CYS A 40 16.482 5.005 -4.850 1.00 71.20 H new ATOM 0 HG CYS A 40 14.636 2.560 -4.046 1.00 61.11 H new ATOM 585 N GLU A 41 19.026 6.270 -3.919 1.00 42.33 N ATOM 586 CA GLU A 41 19.788 7.355 -4.526 1.00 51.44 C ATOM 587 C GLU A 41 21.231 6.931 -4.781 1.00 24.13 C ATOM 588 O GLU A 41 21.916 7.498 -5.633 1.00 35.02 O ATOM 589 CB GLU A 41 19.760 8.593 -3.627 1.00 53.34 C ATOM 590 CG GLU A 41 20.555 9.765 -4.179 1.00 71.43 C ATOM 591 CD GLU A 41 21.987 9.783 -3.682 1.00 2.31 C ATOM 592 OE1 GLU A 41 22.200 9.530 -2.478 1.00 34.25 O ATOM 593 OE2 GLU A 41 22.895 10.051 -4.496 1.00 1.50 O ATOM 0 H GLU A 41 18.614 6.498 -3.014 1.00 42.33 H new ATOM 0 HA GLU A 41 19.325 7.598 -5.482 1.00 51.44 H new ATOM 0 HB2 GLU A 41 18.725 8.903 -3.482 1.00 53.34 H new ATOM 0 HB3 GLU A 41 20.154 8.328 -2.646 1.00 53.34 H new ATOM 0 HG2 GLU A 41 20.553 9.720 -5.268 1.00 71.43 H new ATOM 0 HG3 GLU A 41 20.065 10.697 -3.897 1.00 71.43 H new ATOM 600 N ASP A 42 21.688 5.930 -4.035 1.00 55.42 N ATOM 601 CA ASP A 42 23.049 5.429 -4.179 1.00 62.32 C ATOM 602 C ASP A 42 23.357 5.102 -5.637 1.00 74.13 C ATOM 603 O ASP A 42 24.501 5.202 -6.078 1.00 41.52 O ATOM 604 CB ASP A 42 23.252 4.186 -3.311 1.00 71.44 C ATOM 605 CG ASP A 42 24.710 3.785 -3.205 1.00 42.14 C ATOM 606 OD1 ASP A 42 25.303 3.423 -4.243 1.00 54.13 O ATOM 607 OD2 ASP A 42 25.259 3.833 -2.084 1.00 60.34 O ATOM 0 H ASP A 42 21.135 5.450 -3.325 1.00 55.42 H new ATOM 0 HA ASP A 42 23.734 6.210 -3.848 1.00 62.32 H new ATOM 0 HB2 ASP A 42 22.857 4.375 -2.313 1.00 71.44 H new ATOM 0 HB3 ASP A 42 22.680 3.358 -3.729 1.00 71.44 H new ATOM 612 N ALA A 43 22.327 4.709 -6.380 1.00 51.52 N ATOM 613 CA ALA A 43 22.487 4.369 -7.788 1.00 73.24 C ATOM 614 C ALA A 43 22.831 5.603 -8.616 1.00 74.40 C ATOM 615 O ALA A 43 21.945 6.264 -9.158 1.00 23.43 O ATOM 616 CB ALA A 43 21.222 3.711 -8.319 1.00 72.41 C ATOM 0 H ALA A 43 21.373 4.618 -6.030 1.00 51.52 H new ATOM 0 HA ALA A 43 23.314 3.664 -7.874 1.00 73.24 H new ATOM 0 HB1 ALA A 43 21.356 3.462 -9.372 1.00 72.41 H new ATOM 0 HB2 ALA A 43 21.021 2.801 -7.754 1.00 72.41 H new ATOM 0 HB3 ALA A 43 20.382 4.398 -8.212 1.00 72.41 H new ATOM 622 N GLU A 44 24.121 5.907 -8.708 1.00 64.34 N ATOM 623 CA GLU A 44 24.581 7.063 -9.469 1.00 74.23 C ATOM 624 C GLU A 44 24.483 6.800 -10.969 1.00 51.54 C ATOM 625 O GLU A 44 24.645 5.669 -11.425 1.00 4.23 O ATOM 626 CB GLU A 44 26.023 7.408 -9.094 1.00 1.23 C ATOM 627 CG GLU A 44 26.550 8.655 -9.785 1.00 21.34 C ATOM 628 CD GLU A 44 27.930 9.053 -9.297 1.00 73.21 C ATOM 629 OE1 GLU A 44 28.529 8.280 -8.520 1.00 44.32 O ATOM 630 OE2 GLU A 44 28.409 10.136 -9.692 1.00 23.03 O ATOM 0 H GLU A 44 24.866 5.369 -8.265 1.00 64.34 H new ATOM 0 HA GLU A 44 23.938 7.908 -9.222 1.00 74.23 H new ATOM 0 HB2 GLU A 44 26.086 7.547 -8.015 1.00 1.23 H new ATOM 0 HB3 GLU A 44 26.666 6.565 -9.345 1.00 1.23 H new ATOM 0 HG2 GLU A 44 26.585 8.483 -10.861 1.00 21.34 H new ATOM 0 HG3 GLU A 44 25.857 9.480 -9.617 1.00 21.34 H new ATOM 637 N GLY A 45 24.215 7.856 -11.733 1.00 24.13 N ATOM 638 CA GLY A 45 24.100 7.720 -13.173 1.00 33.51 C ATOM 639 C GLY A 45 22.660 7.584 -13.629 1.00 24.14 C ATOM 640 O GLY A 45 22.287 8.090 -14.686 1.00 51.12 O ATOM 0 H GLY A 45 24.076 8.803 -11.380 1.00 24.13 H new ATOM 0 HA2 GLY A 45 24.550 8.589 -13.654 1.00 33.51 H new ATOM 0 HA3 GLY A 45 24.665 6.847 -13.499 1.00 33.51 H new ATOM 644 N ALA A 46 21.851 6.897 -12.829 1.00 55.14 N ATOM 645 CA ALA A 46 20.444 6.697 -13.156 1.00 63.45 C ATOM 646 C ALA A 46 19.540 7.300 -12.087 1.00 4.12 C ATOM 647 O ALA A 46 19.800 7.165 -10.891 1.00 32.45 O ATOM 648 CB ALA A 46 20.148 5.214 -13.325 1.00 70.24 C ATOM 0 H ALA A 46 22.145 6.470 -11.951 1.00 55.14 H new ATOM 0 HA ALA A 46 20.239 7.208 -14.097 1.00 63.45 H new ATOM 0 HB1 ALA A 46 19.094 5.079 -13.569 1.00 70.24 H new ATOM 0 HB2 ALA A 46 20.762 4.810 -14.130 1.00 70.24 H new ATOM 0 HB3 ALA A 46 20.376 4.689 -12.397 1.00 70.24 H new ATOM 654 N THR A 47 18.478 7.968 -12.524 1.00 54.25 N ATOM 655 CA THR A 47 17.536 8.594 -11.605 1.00 3.33 C ATOM 656 C THR A 47 16.520 7.584 -11.085 1.00 63.53 C ATOM 657 O THR A 47 16.057 6.717 -11.827 1.00 22.54 O ATOM 658 CB THR A 47 16.786 9.760 -12.276 1.00 3.41 C ATOM 659 OG1 THR A 47 17.675 10.486 -13.132 1.00 41.24 O ATOM 660 CG2 THR A 47 16.200 10.699 -11.232 1.00 45.20 C ATOM 0 H THR A 47 18.248 8.090 -13.510 1.00 54.25 H new ATOM 0 HA THR A 47 18.120 8.980 -10.770 1.00 3.33 H new ATOM 0 HB THR A 47 15.970 9.345 -12.868 1.00 3.41 H new ATOM 0 HG1 THR A 47 17.190 11.225 -13.556 1.00 41.24 H new ATOM 0 HG21 THR A 47 15.675 11.514 -11.730 1.00 45.20 H new ATOM 0 HG22 THR A 47 15.502 10.150 -10.600 1.00 45.20 H new ATOM 0 HG23 THR A 47 17.003 11.106 -10.617 1.00 45.20 H new ATOM 668 N VAL A 48 16.176 7.701 -9.807 1.00 25.44 N ATOM 669 CA VAL A 48 15.213 6.798 -9.188 1.00 61.32 C ATOM 670 C VAL A 48 13.853 7.469 -9.031 1.00 23.22 C ATOM 671 O VAL A 48 13.724 8.479 -8.338 1.00 35.34 O ATOM 672 CB VAL A 48 15.699 6.318 -7.808 1.00 4.14 C ATOM 673 CG1 VAL A 48 14.666 5.406 -7.164 1.00 53.43 C ATOM 674 CG2 VAL A 48 17.041 5.612 -7.932 1.00 3.34 C ATOM 0 H VAL A 48 16.550 8.413 -9.179 1.00 25.44 H new ATOM 0 HA VAL A 48 15.116 5.937 -9.850 1.00 61.32 H new ATOM 0 HB VAL A 48 15.830 7.189 -7.166 1.00 4.14 H new ATOM 0 HG11 VAL A 48 15.028 5.077 -6.190 1.00 53.43 H new ATOM 0 HG12 VAL A 48 13.729 5.949 -7.039 1.00 53.43 H new ATOM 0 HG13 VAL A 48 14.500 4.537 -7.801 1.00 53.43 H new ATOM 0 HG21 VAL A 48 17.370 5.279 -6.947 1.00 3.34 H new ATOM 0 HG22 VAL A 48 16.939 4.750 -8.591 1.00 3.34 H new ATOM 0 HG23 VAL A 48 17.777 6.300 -8.347 1.00 3.34 H new ATOM 684 N LEU A 49 12.842 6.902 -9.678 1.00 75.51 N ATOM 685 CA LEU A 49 11.489 7.444 -9.610 1.00 42.41 C ATOM 686 C LEU A 49 10.487 6.363 -9.219 1.00 23.13 C ATOM 687 O LEU A 49 10.533 5.244 -9.732 1.00 55.50 O ATOM 688 CB LEU A 49 11.096 8.057 -10.956 1.00 21.15 C ATOM 689 CG LEU A 49 10.049 9.170 -10.906 1.00 32.01 C ATOM 690 CD1 LEU A 49 10.719 10.527 -10.755 1.00 72.13 C ATOM 691 CD2 LEU A 49 9.178 9.139 -12.153 1.00 72.33 C ATOM 0 H LEU A 49 12.933 6.067 -10.256 1.00 75.51 H new ATOM 0 HA LEU A 49 11.474 8.220 -8.845 1.00 42.41 H new ATOM 0 HB2 LEU A 49 11.995 8.452 -11.429 1.00 21.15 H new ATOM 0 HB3 LEU A 49 10.721 7.261 -11.599 1.00 21.15 H new ATOM 0 HG LEU A 49 9.411 9.004 -10.038 1.00 32.01 H new ATOM 0 HD11 LEU A 49 9.958 11.307 -10.721 1.00 72.13 H new ATOM 0 HD12 LEU A 49 11.299 10.546 -9.832 1.00 72.13 H new ATOM 0 HD13 LEU A 49 11.381 10.702 -11.603 1.00 72.13 H new ATOM 0 HD21 LEU A 49 8.438 9.938 -12.100 1.00 72.33 H new ATOM 0 HD22 LEU A 49 9.802 9.279 -13.036 1.00 72.33 H new ATOM 0 HD23 LEU A 49 8.669 8.177 -12.217 1.00 72.33 H new ATOM 703 N CYS A 50 9.582 6.704 -8.308 1.00 12.10 N ATOM 704 CA CYS A 50 8.567 5.764 -7.848 1.00 71.23 C ATOM 705 C CYS A 50 7.167 6.342 -8.033 1.00 73.41 C ATOM 706 O CYS A 50 6.967 7.554 -7.951 1.00 44.03 O ATOM 707 CB CYS A 50 8.796 5.413 -6.377 1.00 13.12 C ATOM 708 SG CYS A 50 8.058 3.828 -5.867 1.00 34.31 S ATOM 0 H CYS A 50 9.531 7.625 -7.873 1.00 12.10 H new ATOM 0 HA CYS A 50 8.649 4.857 -8.447 1.00 71.23 H new ATOM 0 HB2 CYS A 50 9.868 5.381 -6.185 1.00 13.12 H new ATOM 0 HB3 CYS A 50 8.385 6.209 -5.756 1.00 13.12 H new ATOM 713 N CYS A 51 6.199 5.465 -8.282 1.00 43.45 N ATOM 714 CA CYS A 51 4.818 5.886 -8.479 1.00 55.42 C ATOM 715 C CYS A 51 3.999 5.677 -7.209 1.00 32.34 C ATOM 716 O CYS A 51 4.277 4.791 -6.400 1.00 22.00 O ATOM 717 CB CYS A 51 4.187 5.113 -9.639 1.00 32.02 C ATOM 718 SG CYS A 51 5.349 4.707 -10.981 1.00 44.24 S ATOM 0 H CYS A 51 6.347 4.458 -8.352 1.00 43.45 H new ATOM 0 HA CYS A 51 4.820 6.949 -8.718 1.00 55.42 H new ATOM 0 HB2 CYS A 51 3.756 4.189 -9.254 1.00 32.02 H new ATOM 0 HB3 CYS A 51 3.366 5.701 -10.049 1.00 32.02 H new ATOM 723 N PRO A 52 2.964 6.510 -7.027 1.00 51.53 N ATOM 724 CA PRO A 52 2.083 6.436 -5.858 1.00 51.20 C ATOM 725 C PRO A 52 1.203 5.191 -5.873 1.00 63.31 C ATOM 726 O PRO A 52 0.517 4.893 -4.896 1.00 3.00 O ATOM 727 CB PRO A 52 1.225 7.698 -5.979 1.00 41.15 C ATOM 728 CG PRO A 52 1.229 8.020 -7.434 1.00 74.01 C ATOM 729 CD PRO A 52 2.574 7.590 -7.950 1.00 72.42 C ATOM 0 HA PRO A 52 2.647 6.375 -4.927 1.00 51.20 H new ATOM 0 HB2 PRO A 52 0.212 7.525 -5.615 1.00 41.15 H new ATOM 0 HB3 PRO A 52 1.640 8.517 -5.391 1.00 41.15 H new ATOM 0 HG2 PRO A 52 0.426 7.495 -7.952 1.00 74.01 H new ATOM 0 HG3 PRO A 52 1.071 9.086 -7.598 1.00 74.01 H new ATOM 0 HD2 PRO A 52 2.515 7.237 -8.980 1.00 72.42 H new ATOM 0 HD3 PRO A 52 3.291 8.410 -7.935 1.00 72.42 H new ATOM 737 N GLU A 53 1.229 4.467 -6.988 1.00 23.21 N ATOM 738 CA GLU A 53 0.433 3.253 -7.129 1.00 1.34 C ATOM 739 C GLU A 53 1.211 2.033 -6.645 1.00 64.25 C ATOM 740 O GLU A 53 2.344 2.151 -6.178 1.00 21.13 O ATOM 741 CB GLU A 53 0.012 3.059 -8.587 1.00 3.12 C ATOM 742 CG GLU A 53 -1.476 3.252 -8.822 1.00 13.43 C ATOM 743 CD GLU A 53 -2.318 2.204 -8.121 1.00 74.35 C ATOM 744 OE1 GLU A 53 -1.887 1.033 -8.072 1.00 64.25 O ATOM 745 OE2 GLU A 53 -3.409 2.553 -7.623 1.00 4.10 O ATOM 0 H GLU A 53 1.792 4.700 -7.806 1.00 23.21 H new ATOM 0 HA GLU A 53 -0.459 3.361 -6.513 1.00 1.34 H new ATOM 0 HB2 GLU A 53 0.564 3.761 -9.212 1.00 3.12 H new ATOM 0 HB3 GLU A 53 0.295 2.056 -8.908 1.00 3.12 H new ATOM 0 HG2 GLU A 53 -1.770 4.242 -8.473 1.00 13.43 H new ATOM 0 HG3 GLU A 53 -1.678 3.219 -9.893 1.00 13.43 H new ATOM 752 N ASP A 54 0.595 0.862 -6.762 1.00 22.22 N ATOM 753 CA ASP A 54 1.229 -0.381 -6.338 1.00 22.22 C ATOM 754 C ASP A 54 1.844 -1.111 -7.528 1.00 3.02 C ATOM 755 O ASP A 54 1.295 -1.097 -8.630 1.00 53.11 O ATOM 756 CB ASP A 54 0.212 -1.285 -5.640 1.00 30.24 C ATOM 757 CG ASP A 54 -0.633 -2.072 -6.622 1.00 20.52 C ATOM 758 OD1 ASP A 54 -1.250 -1.446 -7.508 1.00 14.01 O ATOM 759 OD2 ASP A 54 -0.677 -3.315 -6.504 1.00 35.22 O ATOM 0 H ASP A 54 -0.343 0.747 -7.147 1.00 22.22 H new ATOM 0 HA ASP A 54 2.025 -0.133 -5.636 1.00 22.22 H new ATOM 0 HB2 ASP A 54 0.737 -1.977 -4.981 1.00 30.24 H new ATOM 0 HB3 ASP A 54 -0.438 -0.677 -5.011 1.00 30.24 H new ATOM 764 N LEU A 55 2.988 -1.747 -7.298 1.00 51.15 N ATOM 765 CA LEU A 55 3.679 -2.482 -8.352 1.00 2.10 C ATOM 766 C LEU A 55 4.013 -1.567 -9.526 1.00 11.33 C ATOM 767 O LEU A 55 3.545 -1.779 -10.645 1.00 3.21 O ATOM 768 CB LEU A 55 2.820 -3.653 -8.832 1.00 21.10 C ATOM 769 CG LEU A 55 2.442 -4.687 -7.771 1.00 32.10 C ATOM 770 CD1 LEU A 55 1.747 -5.879 -8.411 1.00 1.00 C ATOM 771 CD2 LEU A 55 3.675 -5.137 -7.001 1.00 11.42 C ATOM 0 H LEU A 55 3.456 -1.768 -6.392 1.00 51.15 H new ATOM 0 HA LEU A 55 4.611 -2.868 -7.940 1.00 2.10 H new ATOM 0 HB2 LEU A 55 1.903 -3.252 -9.263 1.00 21.10 H new ATOM 0 HB3 LEU A 55 3.353 -4.163 -9.635 1.00 21.10 H new ATOM 0 HG LEU A 55 1.750 -4.222 -7.069 1.00 32.10 H new ATOM 0 HD11 LEU A 55 1.485 -6.604 -7.641 1.00 1.00 H new ATOM 0 HD12 LEU A 55 0.841 -5.544 -8.916 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.416 -6.344 -9.135 1.00 1.00 H new ATOM 0 HD21 LEU A 55 3.387 -5.873 -6.250 1.00 11.42 H new ATOM 0 HD22 LEU A 55 4.392 -5.584 -7.690 1.00 11.42 H new ATOM 0 HD23 LEU A 55 4.131 -4.277 -6.510 1.00 11.42 H new ATOM 783 N CYS A 56 4.826 -0.549 -9.263 1.00 62.11 N ATOM 784 CA CYS A 56 5.225 0.398 -10.297 1.00 11.20 C ATOM 785 C CYS A 56 6.613 0.063 -10.836 1.00 12.23 C ATOM 786 O CYS A 56 6.982 0.483 -11.932 1.00 22.44 O ATOM 787 CB CYS A 56 5.211 1.825 -9.744 1.00 22.42 C ATOM 788 SG CYS A 56 5.699 3.096 -10.954 1.00 2.03 S ATOM 0 H CYS A 56 5.221 -0.359 -8.342 1.00 62.11 H new ATOM 0 HA CYS A 56 4.510 0.326 -11.116 1.00 11.20 H new ATOM 0 HB2 CYS A 56 4.209 2.052 -9.379 1.00 22.42 H new ATOM 0 HB3 CYS A 56 5.882 1.878 -8.887 1.00 22.42 H new ATOM 793 N ASN A 57 7.377 -0.696 -10.057 1.00 15.14 N ATOM 794 CA ASN A 57 8.724 -1.087 -10.455 1.00 32.41 C ATOM 795 C ASN A 57 8.770 -2.563 -10.839 1.00 23.35 C ATOM 796 O ASN A 57 7.878 -3.065 -11.522 1.00 63.21 O ATOM 797 CB ASN A 57 9.713 -0.812 -9.321 1.00 25.30 C ATOM 798 CG ASN A 57 9.597 -1.821 -8.195 1.00 23.13 C ATOM 799 OD1 ASN A 57 8.504 -2.088 -7.696 1.00 30.12 O ATOM 800 ND2 ASN A 57 10.728 -2.387 -7.789 1.00 30.04 N ATOM 0 H ASN A 57 7.086 -1.052 -9.147 1.00 15.14 H new ATOM 0 HA ASN A 57 9.006 -0.494 -11.325 1.00 32.41 H new ATOM 0 HB2 ASN A 57 10.729 -0.828 -9.716 1.00 25.30 H new ATOM 0 HB3 ASN A 57 9.540 0.189 -8.927 1.00 25.30 H new ATOM 0 HD21 ASN A 57 10.713 -3.073 -7.035 1.00 30.04 H new ATOM 0 HD22 ASN A 57 11.612 -2.135 -8.232 1.00 30.04 H new