USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLN : amide:sc= -0.0805 K(o=-0.081,f=-3.8!) USER MOD Single : A 1 GLN N :NH3+ 134:sc= 0.809 (180deg=-0.896) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -151:sc= 0.259 (180deg=0.0344) USER MOD Single : A 7 TYR OH : rot 86:sc= 0.285 USER MOD Single : A 29 TYR OH : rot 180:sc= 0.974 USER MOD Single : A 30 ASN : amide:sc= -0.0621 X(o=-0.062,f=-0.062) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0273 X(o=-0.027,f=-0.49) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.295 X(o=-0.29,f=-0.19) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0469 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 27.082 -2.874 -34.724 1.00 0.00 N ATOM 2 CA GLN A 1 28.048 -3.214 -35.816 1.00 0.00 C ATOM 3 C GLN A 1 29.310 -3.866 -35.238 1.00 0.00 C ATOM 4 O GLN A 1 29.493 -3.921 -34.037 1.00 0.00 O ATOM 5 CB GLN A 1 28.394 -1.883 -36.505 1.00 0.00 C ATOM 6 CG GLN A 1 28.915 -0.865 -35.480 1.00 0.00 C ATOM 7 CD GLN A 1 27.871 0.240 -35.276 1.00 0.00 C ATOM 8 OE1 GLN A 1 26.747 -0.034 -34.904 1.00 0.00 O ATOM 9 NE2 GLN A 1 28.199 1.484 -35.503 1.00 0.00 N ATOM 0 H1 GLN A 1 26.723 -1.908 -34.866 1.00 0.00 H new ATOM 0 H2 GLN A 1 26.288 -3.545 -34.742 1.00 0.00 H new ATOM 0 H3 GLN A 1 27.564 -2.932 -33.804 1.00 0.00 H new ATOM 0 HA GLN A 1 27.618 -3.927 -36.519 1.00 0.00 H new ATOM 0 HB2 GLN A 1 29.147 -2.051 -37.275 1.00 0.00 H new ATOM 0 HB3 GLN A 1 27.511 -1.485 -37.005 1.00 0.00 H new ATOM 0 HG2 GLN A 1 29.123 -1.362 -34.532 1.00 0.00 H new ATOM 0 HG3 GLN A 1 29.854 -0.433 -35.826 1.00 0.00 H new ATOM 0 HE21 GLN A 1 29.142 1.714 -35.815 1.00 0.00 H new ATOM 0 HE22 GLN A 1 27.512 2.225 -35.368 1.00 0.00 H new ATOM 20 N VAL A 2 30.175 -4.356 -36.102 1.00 0.00 N ATOM 21 CA VAL A 2 31.450 -5.022 -35.656 1.00 0.00 C ATOM 22 C VAL A 2 31.146 -6.323 -34.894 1.00 0.00 C ATOM 23 O VAL A 2 30.165 -6.424 -34.182 1.00 0.00 O ATOM 24 CB VAL A 2 32.173 -4.010 -34.750 1.00 0.00 C ATOM 25 CG1 VAL A 2 33.525 -4.582 -34.316 1.00 0.00 C ATOM 26 CG2 VAL A 2 32.405 -2.704 -35.519 1.00 0.00 C ATOM 0 H VAL A 2 30.050 -4.322 -37.114 1.00 0.00 H new ATOM 0 HA VAL A 2 32.071 -5.297 -36.508 1.00 0.00 H new ATOM 0 HB VAL A 2 31.558 -3.814 -33.871 1.00 0.00 H new ATOM 0 HG11 VAL A 2 34.035 -3.863 -33.674 1.00 0.00 H new ATOM 0 HG12 VAL A 2 33.368 -5.511 -33.767 1.00 0.00 H new ATOM 0 HG13 VAL A 2 34.136 -4.780 -35.197 1.00 0.00 H new ATOM 0 HG21 VAL A 2 32.917 -1.989 -34.875 1.00 0.00 H new ATOM 0 HG22 VAL A 2 33.017 -2.904 -36.399 1.00 0.00 H new ATOM 0 HG23 VAL A 2 31.446 -2.290 -35.830 1.00 0.00 H new ATOM 36 N TYR A 3 31.989 -7.324 -35.050 1.00 0.00 N ATOM 37 CA TYR A 3 31.772 -8.636 -34.351 1.00 0.00 C ATOM 38 C TYR A 3 30.461 -9.289 -34.814 1.00 0.00 C ATOM 39 O TYR A 3 29.697 -8.713 -35.566 1.00 0.00 O ATOM 40 CB TYR A 3 31.715 -8.301 -32.853 1.00 0.00 C ATOM 41 CG TYR A 3 32.581 -9.267 -32.078 1.00 0.00 C ATOM 42 CD1 TYR A 3 33.964 -9.308 -32.302 1.00 0.00 C ATOM 43 CD2 TYR A 3 32.002 -10.120 -31.131 1.00 0.00 C ATOM 44 CE1 TYR A 3 34.764 -10.201 -31.582 1.00 0.00 C ATOM 45 CE2 TYR A 3 32.803 -11.014 -30.410 1.00 0.00 C ATOM 46 CZ TYR A 3 34.184 -11.053 -30.635 1.00 0.00 C ATOM 47 OH TYR A 3 34.973 -11.934 -29.925 1.00 0.00 O ATOM 0 H TYR A 3 32.823 -7.286 -35.636 1.00 0.00 H new ATOM 0 HA TYR A 3 32.568 -9.347 -34.573 1.00 0.00 H new ATOM 0 HB2 TYR A 3 32.056 -7.279 -32.687 1.00 0.00 H new ATOM 0 HB3 TYR A 3 30.686 -8.356 -32.498 1.00 0.00 H new ATOM 0 HD1 TYR A 3 34.412 -8.649 -33.031 1.00 0.00 H new ATOM 0 HD2 TYR A 3 30.937 -10.089 -30.956 1.00 0.00 H new ATOM 0 HE1 TYR A 3 35.829 -10.233 -31.757 1.00 0.00 H new ATOM 0 HE2 TYR A 3 32.356 -11.673 -29.681 1.00 0.00 H new ATOM 0 HH TYR A 3 34.413 -12.451 -29.309 1.00 0.00 H new ATOM 57 N LYS A 4 30.201 -10.494 -34.371 1.00 0.00 N ATOM 58 CA LYS A 4 28.941 -11.189 -34.782 1.00 0.00 C ATOM 59 C LYS A 4 27.786 -10.795 -33.849 1.00 0.00 C ATOM 60 O LYS A 4 27.903 -10.859 -32.638 1.00 0.00 O ATOM 61 CB LYS A 4 29.247 -12.694 -34.690 1.00 0.00 C ATOM 62 CG LYS A 4 29.426 -13.118 -33.226 1.00 0.00 C ATOM 63 CD LYS A 4 30.167 -14.458 -33.167 1.00 0.00 C ATOM 64 CE LYS A 4 30.643 -14.721 -31.734 1.00 0.00 C ATOM 65 NZ LYS A 4 31.989 -14.083 -31.644 1.00 0.00 N ATOM 0 H LYS A 4 30.805 -11.026 -33.744 1.00 0.00 H new ATOM 0 HA LYS A 4 28.632 -10.914 -35.790 1.00 0.00 H new ATOM 0 HB2 LYS A 4 28.436 -13.264 -35.143 1.00 0.00 H new ATOM 0 HB3 LYS A 4 30.151 -12.922 -35.254 1.00 0.00 H new ATOM 0 HG2 LYS A 4 29.986 -12.357 -32.682 1.00 0.00 H new ATOM 0 HG3 LYS A 4 28.454 -13.207 -32.741 1.00 0.00 H new ATOM 0 HD2 LYS A 4 29.510 -15.263 -33.496 1.00 0.00 H new ATOM 0 HD3 LYS A 4 31.019 -14.444 -33.847 1.00 0.00 H new ATOM 0 HE2 LYS A 4 29.955 -14.292 -31.006 1.00 0.00 H new ATOM 0 HE3 LYS A 4 30.700 -15.790 -31.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 32.569 -14.593 -30.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 32.453 -14.119 -32.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 31.884 -13.092 -31.347 1.00 0.00 H new ATOM 79 N GLY A 5 26.676 -10.382 -34.406 1.00 0.00 N ATOM 80 CA GLY A 5 25.514 -9.979 -33.560 1.00 0.00 C ATOM 81 C GLY A 5 24.507 -9.186 -34.399 1.00 0.00 C ATOM 82 O GLY A 5 24.564 -9.178 -35.615 1.00 0.00 O ATOM 0 H GLY A 5 26.525 -10.307 -35.412 1.00 0.00 H new ATOM 0 HA2 GLY A 5 25.034 -10.864 -33.141 1.00 0.00 H new ATOM 0 HA3 GLY A 5 25.857 -9.374 -32.720 1.00 0.00 H new ATOM 86 N GLY A 6 23.580 -8.520 -33.753 1.00 0.00 N ATOM 87 CA GLY A 6 22.559 -7.724 -34.493 1.00 0.00 C ATOM 88 C GLY A 6 23.165 -6.388 -34.928 1.00 0.00 C ATOM 89 O GLY A 6 23.309 -5.475 -34.136 1.00 0.00 O ATOM 0 H GLY A 6 23.489 -8.496 -32.737 1.00 0.00 H new ATOM 0 HA2 GLY A 6 22.213 -8.279 -35.365 1.00 0.00 H new ATOM 0 HA3 GLY A 6 21.689 -7.551 -33.859 1.00 0.00 H new ATOM 93 N TYR A 7 23.519 -6.270 -36.184 1.00 0.00 N ATOM 94 CA TYR A 7 24.118 -4.994 -36.687 1.00 0.00 C ATOM 95 C TYR A 7 23.101 -3.854 -36.556 1.00 0.00 C ATOM 96 O TYR A 7 22.029 -3.903 -37.130 1.00 0.00 O ATOM 97 CB TYR A 7 24.448 -5.253 -38.162 1.00 0.00 C ATOM 98 CG TYR A 7 25.674 -6.130 -38.266 1.00 0.00 C ATOM 99 CD1 TYR A 7 26.948 -5.551 -38.316 1.00 0.00 C ATOM 100 CD2 TYR A 7 25.537 -7.524 -38.311 1.00 0.00 C ATOM 101 CE1 TYR A 7 28.083 -6.365 -38.412 1.00 0.00 C ATOM 102 CE2 TYR A 7 26.671 -8.336 -38.407 1.00 0.00 C ATOM 103 CZ TYR A 7 27.944 -7.756 -38.457 1.00 0.00 C ATOM 104 OH TYR A 7 29.062 -8.559 -38.554 1.00 0.00 O ATOM 0 H TYR A 7 23.419 -7.004 -36.885 1.00 0.00 H new ATOM 0 HA TYR A 7 25.004 -4.704 -36.123 1.00 0.00 H new ATOM 0 HB2 TYR A 7 23.603 -5.734 -38.654 1.00 0.00 H new ATOM 0 HB3 TYR A 7 24.621 -4.308 -38.677 1.00 0.00 H new ATOM 0 HD1 TYR A 7 27.055 -4.477 -38.281 1.00 0.00 H new ATOM 0 HD2 TYR A 7 24.555 -7.971 -38.271 1.00 0.00 H new ATOM 0 HE1 TYR A 7 29.066 -5.919 -38.451 1.00 0.00 H new ATOM 0 HE2 TYR A 7 26.565 -9.410 -38.443 1.00 0.00 H new ATOM 0 HH TYR A 7 29.424 -8.726 -37.659 1.00 0.00 H new ATOM 114 N ALA A 8 23.433 -2.835 -35.793 1.00 0.00 N ATOM 115 CA ALA A 8 22.493 -1.683 -35.596 1.00 0.00 C ATOM 116 C ALA A 8 21.115 -2.194 -35.148 1.00 0.00 C ATOM 117 O ALA A 8 20.091 -1.801 -35.676 1.00 0.00 O ATOM 118 CB ALA A 8 22.409 -0.990 -36.962 1.00 0.00 C ATOM 0 H ALA A 8 24.320 -2.753 -35.296 1.00 0.00 H new ATOM 0 HA ALA A 8 22.837 -0.996 -34.823 1.00 0.00 H new ATOM 0 HB1 ALA A 8 21.737 -0.135 -36.895 1.00 0.00 H new ATOM 0 HB2 ALA A 8 23.401 -0.650 -37.259 1.00 0.00 H new ATOM 0 HB3 ALA A 8 22.029 -1.693 -37.704 1.00 0.00 H new ATOM 124 N ARG A 9 21.089 -3.078 -34.178 1.00 0.00 N ATOM 125 CA ARG A 9 19.794 -3.632 -33.689 1.00 0.00 C ATOM 126 C ARG A 9 19.613 -3.326 -32.194 1.00 0.00 C ATOM 127 O ARG A 9 20.564 -3.371 -31.435 1.00 0.00 O ATOM 128 CB ARG A 9 19.905 -5.142 -33.920 1.00 0.00 C ATOM 129 CG ARG A 9 18.505 -5.753 -34.017 1.00 0.00 C ATOM 130 CD ARG A 9 18.601 -7.168 -34.595 1.00 0.00 C ATOM 131 NE ARG A 9 17.227 -7.477 -35.084 1.00 0.00 N ATOM 132 CZ ARG A 9 16.455 -8.282 -34.403 1.00 0.00 C ATOM 133 NH1 ARG A 9 15.793 -7.831 -33.369 1.00 0.00 N ATOM 134 NH2 ARG A 9 16.348 -9.536 -34.756 1.00 0.00 N ATOM 0 H ARG A 9 21.917 -3.439 -33.704 1.00 0.00 H new ATOM 0 HA ARG A 9 18.936 -3.199 -34.204 1.00 0.00 H new ATOM 0 HB2 ARG A 9 20.463 -5.340 -34.835 1.00 0.00 H new ATOM 0 HB3 ARG A 9 20.459 -5.605 -33.103 1.00 0.00 H new ATOM 0 HG2 ARG A 9 18.041 -5.783 -33.031 1.00 0.00 H new ATOM 0 HG3 ARG A 9 17.870 -5.133 -34.650 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.329 -7.215 -35.405 1.00 0.00 H new ATOM 0 HD3 ARG A 9 18.921 -7.883 -33.837 1.00 0.00 H new ATOM 0 HE ARG A 9 16.889 -7.060 -35.951 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.880 -6.852 -33.095 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.190 -8.458 -32.836 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.867 -9.885 -35.562 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.746 -10.166 -34.225 1.00 0.00 H new ATOM 148 N PRO A 10 18.389 -3.028 -31.819 1.00 0.00 N ATOM 149 CA PRO A 10 18.081 -2.716 -30.398 1.00 0.00 C ATOM 150 C PRO A 10 18.132 -3.995 -29.548 1.00 0.00 C ATOM 151 O PRO A 10 17.140 -4.679 -29.374 1.00 0.00 O ATOM 152 CB PRO A 10 16.667 -2.144 -30.455 1.00 0.00 C ATOM 153 CG PRO A 10 16.066 -2.719 -31.699 1.00 0.00 C ATOM 154 CD PRO A 10 17.193 -2.951 -32.669 1.00 0.00 C ATOM 0 HA PRO A 10 18.791 -2.025 -29.943 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.092 -2.425 -29.573 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.683 -1.055 -30.492 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.548 -3.653 -31.480 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.329 -2.036 -32.121 1.00 0.00 H new ATOM 0 HD2 PRO A 10 17.048 -3.870 -33.236 1.00 0.00 H new ATOM 0 HD3 PRO A 10 17.270 -2.139 -33.392 1.00 0.00 H new ATOM 162 N ILE A 11 19.288 -4.321 -29.025 1.00 0.00 N ATOM 163 CA ILE A 11 19.420 -5.553 -28.189 1.00 0.00 C ATOM 164 C ILE A 11 18.866 -5.304 -26.779 1.00 0.00 C ATOM 165 O ILE A 11 18.918 -4.196 -26.280 1.00 0.00 O ATOM 166 CB ILE A 11 20.924 -5.870 -28.135 1.00 0.00 C ATOM 167 CG1 ILE A 11 21.706 -4.661 -27.598 1.00 0.00 C ATOM 168 CG2 ILE A 11 21.427 -6.214 -29.540 1.00 0.00 C ATOM 169 CD1 ILE A 11 22.591 -5.099 -26.429 1.00 0.00 C ATOM 0 H ILE A 11 20.148 -3.785 -29.142 1.00 0.00 H new ATOM 0 HA ILE A 11 18.856 -6.385 -28.610 1.00 0.00 H new ATOM 0 HB ILE A 11 21.079 -6.719 -27.469 1.00 0.00 H new ATOM 0 HG12 ILE A 11 22.319 -4.231 -28.390 1.00 0.00 H new ATOM 0 HG13 ILE A 11 21.015 -3.884 -27.272 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.493 -6.438 -29.500 1.00 0.00 H new ATOM 0 HG22 ILE A 11 20.887 -7.083 -29.917 1.00 0.00 H new ATOM 0 HG23 ILE A 11 21.259 -5.366 -30.204 1.00 0.00 H new ATOM 0 HD11 ILE A 11 23.145 -4.240 -26.050 1.00 0.00 H new ATOM 0 HD12 ILE A 11 21.968 -5.508 -25.634 1.00 0.00 H new ATOM 0 HD13 ILE A 11 23.292 -5.861 -26.769 1.00 0.00 H new ATOM 181 N PRO A 12 18.349 -6.353 -26.186 1.00 0.00 N ATOM 182 CA PRO A 12 17.775 -6.256 -24.819 1.00 0.00 C ATOM 183 C PRO A 12 18.892 -6.110 -23.776 1.00 0.00 C ATOM 184 O PRO A 12 19.391 -7.084 -23.241 1.00 0.00 O ATOM 185 CB PRO A 12 17.028 -7.580 -24.653 1.00 0.00 C ATOM 186 CG PRO A 12 17.703 -8.529 -25.591 1.00 0.00 C ATOM 187 CD PRO A 12 18.254 -7.711 -26.731 1.00 0.00 C ATOM 0 HA PRO A 12 17.127 -5.390 -24.682 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.082 -7.937 -23.625 1.00 0.00 H new ATOM 0 HB3 PRO A 12 15.971 -7.470 -24.897 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.502 -9.069 -25.083 1.00 0.00 H new ATOM 0 HG3 PRO A 12 16.998 -9.275 -25.958 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.228 -8.080 -27.052 1.00 0.00 H new ATOM 0 HD3 PRO A 12 17.597 -7.746 -27.600 1.00 0.00 H new ATOM 195 N ARG A 13 19.288 -4.894 -23.491 1.00 0.00 N ATOM 196 CA ARG A 13 20.374 -4.664 -22.490 1.00 0.00 C ATOM 197 C ARG A 13 19.851 -4.905 -21.066 1.00 0.00 C ATOM 198 O ARG A 13 18.803 -4.404 -20.703 1.00 0.00 O ATOM 199 CB ARG A 13 20.778 -3.196 -22.666 1.00 0.00 C ATOM 200 CG ARG A 13 21.490 -3.010 -24.008 1.00 0.00 C ATOM 201 CD ARG A 13 21.606 -1.515 -24.325 1.00 0.00 C ATOM 202 NE ARG A 13 20.555 -1.250 -25.350 1.00 0.00 N ATOM 203 CZ ARG A 13 19.325 -0.998 -24.982 1.00 0.00 C ATOM 204 NH1 ARG A 13 19.055 0.097 -24.319 1.00 0.00 N ATOM 205 NH2 ARG A 13 18.369 -1.837 -25.278 1.00 0.00 N ATOM 0 H ARG A 13 18.904 -4.048 -23.911 1.00 0.00 H new ATOM 0 HA ARG A 13 21.215 -5.341 -22.639 1.00 0.00 H new ATOM 0 HB2 ARG A 13 19.895 -2.559 -22.621 1.00 0.00 H new ATOM 0 HB3 ARG A 13 21.434 -2.890 -21.851 1.00 0.00 H new ATOM 0 HG2 ARG A 13 22.481 -3.462 -23.971 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.937 -3.518 -24.798 1.00 0.00 H new ATOM 0 HD2 ARG A 13 21.447 -0.910 -23.433 1.00 0.00 H new ATOM 0 HD3 ARG A 13 22.598 -1.269 -24.705 1.00 0.00 H new ATOM 0 HE ARG A 13 20.796 -1.265 -26.341 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.803 0.752 -24.090 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.097 0.296 -24.031 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.581 -2.689 -25.796 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.410 -1.640 -24.991 1.00 0.00 H new ATOM 219 N PRO A 14 20.604 -5.665 -20.305 1.00 0.00 N ATOM 220 CA PRO A 14 20.216 -5.975 -18.901 1.00 0.00 C ATOM 221 C PRO A 14 20.408 -4.743 -17.997 1.00 0.00 C ATOM 222 O PRO A 14 21.466 -4.141 -17.992 1.00 0.00 O ATOM 223 CB PRO A 14 21.178 -7.094 -18.504 1.00 0.00 C ATOM 224 CG PRO A 14 22.368 -6.918 -19.393 1.00 0.00 C ATOM 225 CD PRO A 14 21.874 -6.303 -20.677 1.00 0.00 C ATOM 0 HA PRO A 14 19.169 -6.260 -18.802 1.00 0.00 H new ATOM 0 HB2 PRO A 14 21.457 -7.020 -17.453 1.00 0.00 H new ATOM 0 HB3 PRO A 14 20.722 -8.074 -18.645 1.00 0.00 H new ATOM 0 HG2 PRO A 14 23.111 -6.276 -18.919 1.00 0.00 H new ATOM 0 HG3 PRO A 14 22.850 -7.876 -19.585 1.00 0.00 H new ATOM 0 HD2 PRO A 14 22.585 -5.576 -21.070 1.00 0.00 H new ATOM 0 HD3 PRO A 14 21.729 -7.057 -21.450 1.00 0.00 H new ATOM 233 N PRO A 15 19.373 -4.409 -17.258 1.00 0.00 N ATOM 234 CA PRO A 15 19.432 -3.239 -16.342 1.00 0.00 C ATOM 235 C PRO A 15 20.264 -3.568 -15.089 1.00 0.00 C ATOM 236 O PRO A 15 20.034 -4.572 -14.441 1.00 0.00 O ATOM 237 CB PRO A 15 17.969 -2.999 -15.973 1.00 0.00 C ATOM 238 CG PRO A 15 17.296 -4.323 -16.156 1.00 0.00 C ATOM 239 CD PRO A 15 18.065 -5.079 -17.210 1.00 0.00 C ATOM 0 HA PRO A 15 19.904 -2.368 -16.796 1.00 0.00 H new ATOM 0 HB2 PRO A 15 17.875 -2.648 -14.945 1.00 0.00 H new ATOM 0 HB3 PRO A 15 17.521 -2.238 -16.612 1.00 0.00 H new ATOM 0 HG2 PRO A 15 17.282 -4.879 -15.219 1.00 0.00 H new ATOM 0 HG3 PRO A 15 16.259 -4.187 -16.462 1.00 0.00 H new ATOM 0 HD2 PRO A 15 18.167 -6.132 -16.949 1.00 0.00 H new ATOM 0 HD3 PRO A 15 17.561 -5.038 -18.176 1.00 0.00 H new ATOM 247 N PRO A 16 21.209 -2.703 -14.788 1.00 0.00 N ATOM 248 CA PRO A 16 22.080 -2.906 -13.601 1.00 0.00 C ATOM 249 C PRO A 16 21.308 -2.601 -12.308 1.00 0.00 C ATOM 250 O PRO A 16 21.180 -1.459 -11.903 1.00 0.00 O ATOM 251 CB PRO A 16 23.214 -1.905 -13.813 1.00 0.00 C ATOM 252 CG PRO A 16 22.636 -0.836 -14.686 1.00 0.00 C ATOM 253 CD PRO A 16 21.553 -1.474 -15.519 1.00 0.00 C ATOM 0 HA PRO A 16 22.438 -3.931 -13.502 1.00 0.00 H new ATOM 0 HB2 PRO A 16 23.559 -1.494 -12.864 1.00 0.00 H new ATOM 0 HB3 PRO A 16 24.074 -2.379 -14.287 1.00 0.00 H new ATOM 0 HG2 PRO A 16 22.229 -0.025 -14.082 1.00 0.00 H new ATOM 0 HG3 PRO A 16 23.406 -0.403 -15.324 1.00 0.00 H new ATOM 0 HD2 PRO A 16 20.690 -0.816 -15.620 1.00 0.00 H new ATOM 0 HD3 PRO A 16 21.905 -1.696 -16.527 1.00 0.00 H new ATOM 261 N PHE A 17 20.790 -3.616 -11.660 1.00 0.00 N ATOM 262 CA PHE A 17 20.024 -3.395 -10.397 1.00 0.00 C ATOM 263 C PHE A 17 20.074 -4.645 -9.512 1.00 0.00 C ATOM 264 O PHE A 17 20.210 -5.756 -9.993 1.00 0.00 O ATOM 265 CB PHE A 17 18.588 -3.110 -10.846 1.00 0.00 C ATOM 266 CG PHE A 17 17.797 -2.521 -9.700 1.00 0.00 C ATOM 267 CD1 PHE A 17 18.026 -1.201 -9.294 1.00 0.00 C ATOM 268 CD2 PHE A 17 16.833 -3.297 -9.044 1.00 0.00 C ATOM 269 CE1 PHE A 17 17.291 -0.657 -8.234 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.098 -2.753 -7.984 1.00 0.00 C ATOM 271 CZ PHE A 17 16.328 -1.433 -7.579 1.00 0.00 C ATOM 0 H PHE A 17 20.866 -4.590 -11.953 1.00 0.00 H new ATOM 0 HA PHE A 17 20.437 -2.577 -9.807 1.00 0.00 H new ATOM 0 HB2 PHE A 17 18.592 -2.419 -11.689 1.00 0.00 H new ATOM 0 HB3 PHE A 17 18.116 -4.030 -11.190 1.00 0.00 H new ATOM 0 HD1 PHE A 17 18.770 -0.602 -9.799 1.00 0.00 H new ATOM 0 HD2 PHE A 17 16.657 -4.316 -9.356 1.00 0.00 H new ATOM 0 HE1 PHE A 17 17.467 0.362 -7.922 1.00 0.00 H new ATOM 0 HE2 PHE A 17 15.354 -3.351 -7.479 1.00 0.00 H new ATOM 0 HZ PHE A 17 15.762 -1.013 -6.761 1.00 0.00 H new ATOM 281 N VAL A 18 19.956 -4.465 -8.223 1.00 0.00 N ATOM 282 CA VAL A 18 19.987 -5.632 -7.290 1.00 0.00 C ATOM 283 C VAL A 18 18.598 -6.279 -7.225 1.00 0.00 C ATOM 284 O VAL A 18 17.590 -5.603 -7.304 1.00 0.00 O ATOM 285 CB VAL A 18 20.381 -5.053 -5.925 1.00 0.00 C ATOM 286 CG1 VAL A 18 20.410 -6.170 -4.877 1.00 0.00 C ATOM 287 CG2 VAL A 18 21.772 -4.413 -6.019 1.00 0.00 C ATOM 0 H VAL A 18 19.839 -3.557 -7.774 1.00 0.00 H new ATOM 0 HA VAL A 18 20.688 -6.402 -7.612 1.00 0.00 H new ATOM 0 HB VAL A 18 19.650 -4.299 -5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.690 -5.754 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.423 -6.626 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.138 -6.926 -5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 18 22.050 -4.002 -5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 18 22.500 -5.168 -6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 18 21.755 -3.614 -6.760 1.00 0.00 H new ATOM 297 N ARG A 19 18.542 -7.580 -7.084 1.00 0.00 N ATOM 298 CA ARG A 19 17.220 -8.279 -7.017 1.00 0.00 C ATOM 299 C ARG A 19 16.440 -7.833 -5.769 1.00 0.00 C ATOM 300 O ARG A 19 16.835 -8.129 -4.656 1.00 0.00 O ATOM 301 CB ARG A 19 17.561 -9.771 -6.936 1.00 0.00 C ATOM 302 CG ARG A 19 16.285 -10.601 -7.108 1.00 0.00 C ATOM 303 CD ARG A 19 16.656 -12.074 -7.312 1.00 0.00 C ATOM 304 NE ARG A 19 16.675 -12.665 -5.943 1.00 0.00 N ATOM 305 CZ ARG A 19 15.906 -13.682 -5.658 1.00 0.00 C ATOM 306 NH1 ARG A 19 16.335 -14.900 -5.862 1.00 0.00 N ATOM 307 NH2 ARG A 19 14.711 -13.479 -5.170 1.00 0.00 N ATOM 0 H ARG A 19 19.356 -8.190 -7.012 1.00 0.00 H new ATOM 0 HA ARG A 19 16.591 -8.052 -7.878 1.00 0.00 H new ATOM 0 HB2 ARG A 19 18.283 -10.032 -7.710 1.00 0.00 H new ATOM 0 HB3 ARG A 19 18.027 -9.996 -5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 19 15.648 -10.494 -6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.714 -10.237 -7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 19 15.929 -12.579 -7.949 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.627 -12.172 -7.797 1.00 0.00 H new ATOM 0 HE ARG A 19 17.289 -12.275 -5.228 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.268 -15.055 -6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.736 -15.695 -5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.380 -12.527 -5.012 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.110 -14.272 -4.947 1.00 0.00 H new ATOM 321 N PRO A 20 15.352 -7.131 -5.997 1.00 0.00 N ATOM 322 CA PRO A 20 14.510 -6.641 -4.876 1.00 0.00 C ATOM 323 C PRO A 20 13.637 -7.776 -4.323 1.00 0.00 C ATOM 324 O PRO A 20 13.763 -8.921 -4.718 1.00 0.00 O ATOM 325 CB PRO A 20 13.646 -5.562 -5.524 1.00 0.00 C ATOM 326 CG PRO A 20 13.580 -5.924 -6.974 1.00 0.00 C ATOM 327 CD PRO A 20 14.812 -6.728 -7.304 1.00 0.00 C ATOM 0 HA PRO A 20 15.094 -6.268 -4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.651 -5.536 -5.080 1.00 0.00 H new ATOM 0 HB3 PRO A 20 14.083 -4.573 -5.385 1.00 0.00 H new ATOM 0 HG2 PRO A 20 12.679 -6.501 -7.183 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.533 -5.026 -7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 20 14.567 -7.596 -7.916 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.534 -6.135 -7.866 1.00 0.00 H new ATOM 335 N LEU A 21 12.746 -7.460 -3.419 1.00 0.00 N ATOM 336 CA LEU A 21 11.851 -8.506 -2.836 1.00 0.00 C ATOM 337 C LEU A 21 10.404 -7.989 -2.779 1.00 0.00 C ATOM 338 O LEU A 21 9.919 -7.616 -1.727 1.00 0.00 O ATOM 339 CB LEU A 21 12.401 -8.762 -1.429 1.00 0.00 C ATOM 340 CG LEU A 21 11.850 -10.088 -0.894 1.00 0.00 C ATOM 341 CD1 LEU A 21 12.955 -11.146 -0.906 1.00 0.00 C ATOM 342 CD2 LEU A 21 11.349 -9.890 0.539 1.00 0.00 C ATOM 0 H LEU A 21 12.599 -6.518 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 21 11.834 -9.419 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.490 -8.793 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.120 -7.945 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 21 11.026 -10.419 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.561 -12.088 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.312 -11.288 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.781 -10.817 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.957 -10.833 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.173 -9.558 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.560 -9.138 0.548 1.00 0.00 H new ATOM 354 N PRO A 22 9.762 -7.979 -3.925 1.00 0.00 N ATOM 355 CA PRO A 22 8.357 -7.499 -4.010 1.00 0.00 C ATOM 356 C PRO A 22 7.389 -8.543 -3.430 1.00 0.00 C ATOM 357 O PRO A 22 7.400 -9.695 -3.820 1.00 0.00 O ATOM 358 CB PRO A 22 8.130 -7.320 -5.509 1.00 0.00 C ATOM 359 CG PRO A 22 9.105 -8.245 -6.167 1.00 0.00 C ATOM 360 CD PRO A 22 10.278 -8.406 -5.233 1.00 0.00 C ATOM 0 HA PRO A 22 8.185 -6.584 -3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.105 -7.568 -5.784 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.301 -6.287 -5.813 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.641 -9.210 -6.370 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.431 -7.840 -7.125 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.626 -9.439 -5.206 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.123 -7.793 -5.547 1.00 0.00 H new ATOM 368 N GLY A 23 6.554 -8.142 -2.501 1.00 0.00 N ATOM 369 CA GLY A 23 5.582 -9.101 -1.894 1.00 0.00 C ATOM 370 C GLY A 23 4.165 -8.525 -1.986 1.00 0.00 C ATOM 371 O GLY A 23 3.610 -8.397 -3.062 1.00 0.00 O ATOM 0 H GLY A 23 6.505 -7.190 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.630 -10.059 -2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.842 -9.288 -0.852 1.00 0.00 H new ATOM 375 N GLY A 24 3.576 -8.176 -0.867 1.00 0.00 N ATOM 376 CA GLY A 24 2.194 -7.607 -0.887 1.00 0.00 C ATOM 377 C GLY A 24 1.162 -8.743 -0.864 1.00 0.00 C ATOM 378 O GLY A 24 1.491 -9.885 -1.123 1.00 0.00 O ATOM 0 H GLY A 24 3.994 -8.261 0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.048 -6.953 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.056 -6.996 -1.779 1.00 0.00 H new ATOM 382 N PRO A 25 -0.063 -8.387 -0.554 1.00 0.00 N ATOM 383 CA PRO A 25 -1.162 -9.389 -0.496 1.00 0.00 C ATOM 384 C PRO A 25 -1.555 -9.845 -1.908 1.00 0.00 C ATOM 385 O PRO A 25 -1.422 -9.107 -2.868 1.00 0.00 O ATOM 386 CB PRO A 25 -2.308 -8.628 0.167 1.00 0.00 C ATOM 387 CG PRO A 25 -2.032 -7.185 -0.119 1.00 0.00 C ATOM 388 CD PRO A 25 -0.537 -7.034 -0.229 1.00 0.00 C ATOM 0 HA PRO A 25 -0.885 -10.293 0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.272 -8.934 -0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.340 -8.819 1.240 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.520 -6.875 -1.043 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.426 -6.552 0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.265 -6.319 -1.005 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -0.103 -6.673 0.703 1.00 0.00 H new ATOM 396 N ILE A 26 -2.040 -11.056 -2.039 1.00 0.00 N ATOM 397 CA ILE A 26 -2.444 -11.564 -3.384 1.00 0.00 C ATOM 398 C ILE A 26 -3.872 -11.114 -3.718 1.00 0.00 C ATOM 399 O ILE A 26 -4.695 -10.917 -2.842 1.00 0.00 O ATOM 400 CB ILE A 26 -2.355 -13.095 -3.287 1.00 0.00 C ATOM 401 CG1 ILE A 26 -2.503 -13.705 -4.685 1.00 0.00 C ATOM 402 CG2 ILE A 26 -3.466 -13.637 -2.378 1.00 0.00 C ATOM 403 CD1 ILE A 26 -1.907 -15.115 -4.698 1.00 0.00 C ATOM 0 H ILE A 26 -2.173 -11.714 -1.271 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.804 -11.178 -4.177 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.387 -13.365 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.555 -13.742 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.998 -13.079 -5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.390 -14.723 -2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.360 -13.211 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.438 -13.363 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.014 -15.546 -5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.850 -15.066 -4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.432 -15.739 -3.974 1.00 0.00 H new ATOM 415 N GLY A 27 -4.166 -10.950 -4.984 1.00 0.00 N ATOM 416 CA GLY A 27 -5.536 -10.511 -5.393 1.00 0.00 C ATOM 417 C GLY A 27 -5.694 -9.005 -5.146 1.00 0.00 C ATOM 418 O GLY A 27 -6.206 -8.602 -4.119 1.00 0.00 O ATOM 0 H GLY A 27 -3.514 -11.102 -5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.700 -10.735 -6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.288 -11.062 -4.829 1.00 0.00 H new ATOM 422 N PRO A 28 -5.248 -8.221 -6.100 1.00 0.00 N ATOM 423 CA PRO A 28 -5.342 -6.742 -5.981 1.00 0.00 C ATOM 424 C PRO A 28 -6.787 -6.261 -6.199 1.00 0.00 C ATOM 425 O PRO A 28 -7.330 -5.525 -5.396 1.00 0.00 O ATOM 426 CB PRO A 28 -4.419 -6.233 -7.086 1.00 0.00 C ATOM 427 CG PRO A 28 -4.362 -7.338 -8.096 1.00 0.00 C ATOM 428 CD PRO A 28 -4.617 -8.632 -7.363 1.00 0.00 C ATOM 0 HA PRO A 28 -5.058 -6.378 -4.994 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.805 -5.315 -7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.427 -6.006 -6.696 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.108 -7.185 -8.875 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.389 -7.360 -8.587 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.269 -9.291 -7.936 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.690 -9.177 -7.185 1.00 0.00 H new ATOM 436 N TYR A 29 -7.413 -6.669 -7.278 1.00 0.00 N ATOM 437 CA TYR A 29 -8.816 -6.235 -7.547 1.00 0.00 C ATOM 438 C TYR A 29 -9.772 -7.426 -7.407 1.00 0.00 C ATOM 439 O TYR A 29 -10.647 -7.636 -8.228 1.00 0.00 O ATOM 440 CB TYR A 29 -8.794 -5.711 -8.987 1.00 0.00 C ATOM 441 CG TYR A 29 -9.831 -4.626 -9.162 1.00 0.00 C ATOM 442 CD1 TYR A 29 -9.741 -3.438 -8.424 1.00 0.00 C ATOM 443 CD2 TYR A 29 -10.879 -4.805 -10.074 1.00 0.00 C ATOM 444 CE1 TYR A 29 -10.699 -2.432 -8.599 1.00 0.00 C ATOM 445 CE2 TYR A 29 -11.837 -3.800 -10.246 1.00 0.00 C ATOM 446 CZ TYR A 29 -11.746 -2.613 -9.509 1.00 0.00 C ATOM 447 OH TYR A 29 -12.690 -1.621 -9.679 1.00 0.00 O ATOM 0 H TYR A 29 -7.009 -7.285 -7.984 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.163 -5.475 -6.847 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.805 -5.321 -9.225 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.990 -6.527 -9.682 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.933 -3.299 -7.721 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.948 -5.719 -10.645 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.630 -1.516 -8.031 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.647 -3.940 -10.947 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.347 -1.906 -10.348 1.00 0.00 H new ATOM 457 N ASN A 30 -9.608 -8.204 -6.368 1.00 0.00 N ATOM 458 CA ASN A 30 -10.496 -9.387 -6.161 1.00 0.00 C ATOM 459 C ASN A 30 -11.036 -9.411 -4.725 1.00 0.00 C ATOM 460 O ASN A 30 -11.222 -10.463 -4.141 1.00 0.00 O ATOM 461 CB ASN A 30 -9.598 -10.600 -6.424 1.00 0.00 C ATOM 462 CG ASN A 30 -9.187 -10.629 -7.899 1.00 0.00 C ATOM 463 OD1 ASN A 30 -9.942 -11.067 -8.743 1.00 0.00 O ATOM 464 ND2 ASN A 30 -8.014 -10.174 -8.248 1.00 0.00 N ATOM 0 H ASN A 30 -8.895 -8.070 -5.651 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.366 -9.371 -6.818 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.712 -10.553 -5.791 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.126 -11.518 -6.166 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.733 -10.187 -9.228 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.379 -9.806 -7.540 1.00 0.00 H new ATOM 471 N GLY A 31 -11.293 -8.262 -4.155 1.00 0.00 N ATOM 472 CA GLY A 31 -11.824 -8.214 -2.760 1.00 0.00 C ATOM 473 C GLY A 31 -12.649 -6.939 -2.560 1.00 0.00 C ATOM 474 O GLY A 31 -12.600 -6.320 -1.513 1.00 0.00 O ATOM 0 H GLY A 31 -11.158 -7.353 -4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.441 -9.091 -2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.000 -8.240 -2.047 1.00 0.00 H new ATOM 478 N CYS A 32 -13.407 -6.546 -3.556 1.00 0.00 N ATOM 479 CA CYS A 32 -14.242 -5.311 -3.436 1.00 0.00 C ATOM 480 C CYS A 32 -15.158 -5.169 -4.662 1.00 0.00 C ATOM 481 O CYS A 32 -14.798 -4.528 -5.634 1.00 0.00 O ATOM 482 CB CYS A 32 -13.245 -4.154 -3.368 1.00 0.00 C ATOM 483 SG CYS A 32 -13.981 -2.793 -2.430 1.00 0.00 S ATOM 0 H CYS A 32 -13.483 -7.031 -4.450 1.00 0.00 H new ATOM 0 HA CYS A 32 -14.889 -5.336 -2.559 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.321 -4.482 -2.893 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.986 -3.821 -4.373 1.00 0.00 H new ATOM 488 N PRO A 33 -16.318 -5.777 -4.572 1.00 0.00 N ATOM 489 CA PRO A 33 -17.305 -5.721 -5.685 1.00 0.00 C ATOM 490 C PRO A 33 -17.878 -4.305 -5.836 1.00 0.00 C ATOM 491 O PRO A 33 -18.157 -3.631 -4.862 1.00 0.00 O ATOM 492 CB PRO A 33 -18.389 -6.709 -5.252 1.00 0.00 C ATOM 493 CG PRO A 33 -18.274 -6.774 -3.763 1.00 0.00 C ATOM 494 CD PRO A 33 -16.819 -6.568 -3.438 1.00 0.00 C ATOM 0 HA PRO A 33 -16.870 -5.969 -6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.379 -6.369 -5.558 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.234 -7.689 -5.704 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -18.889 -6.007 -3.292 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -18.623 -7.736 -3.388 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.690 -6.040 -2.493 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.291 -7.517 -3.347 1.00 0.00 H new ATOM 502 N VAL A 34 -18.056 -3.855 -7.056 1.00 0.00 N ATOM 503 CA VAL A 34 -18.615 -2.484 -7.290 1.00 0.00 C ATOM 504 C VAL A 34 -20.063 -2.400 -6.778 1.00 0.00 C ATOM 505 O VAL A 34 -20.524 -1.346 -6.382 1.00 0.00 O ATOM 506 CB VAL A 34 -18.564 -2.284 -8.811 1.00 0.00 C ATOM 507 CG1 VAL A 34 -19.283 -0.986 -9.190 1.00 0.00 C ATOM 508 CG2 VAL A 34 -17.104 -2.203 -9.267 1.00 0.00 C ATOM 0 H VAL A 34 -17.837 -4.380 -7.903 1.00 0.00 H new ATOM 0 HA VAL A 34 -18.051 -1.715 -6.761 1.00 0.00 H new ATOM 0 HB VAL A 34 -19.056 -3.126 -9.298 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -19.243 -0.850 -10.271 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -20.323 -1.039 -8.869 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -18.795 -0.143 -8.700 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.068 -2.061 -10.347 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -16.615 -1.363 -8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.589 -3.127 -9.005 1.00 0.00 H new ATOM 518 N SER A 35 -20.776 -3.502 -6.781 1.00 0.00 N ATOM 519 CA SER A 35 -22.191 -3.493 -6.291 1.00 0.00 C ATOM 520 C SER A 35 -22.246 -3.220 -4.779 1.00 0.00 C ATOM 521 O SER A 35 -23.263 -2.796 -4.264 1.00 0.00 O ATOM 522 CB SER A 35 -22.730 -4.892 -6.603 1.00 0.00 C ATOM 523 OG SER A 35 -24.144 -4.833 -6.730 1.00 0.00 O ATOM 0 H SER A 35 -20.438 -4.409 -7.103 1.00 0.00 H new ATOM 0 HA SER A 35 -22.779 -2.710 -6.769 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.286 -5.268 -7.525 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.453 -5.586 -5.809 1.00 0.00 H new ATOM 0 HG SER A 35 -24.492 -5.727 -6.931 1.00 0.00 H new ATOM 529 N CYS A 36 -21.162 -3.461 -4.069 1.00 0.00 N ATOM 530 CA CYS A 36 -21.136 -3.223 -2.585 1.00 0.00 C ATOM 531 C CYS A 36 -22.201 -4.073 -1.875 1.00 0.00 C ATOM 532 O CYS A 36 -22.702 -3.706 -0.825 1.00 0.00 O ATOM 533 CB CYS A 36 -21.418 -1.727 -2.403 1.00 0.00 C ATOM 534 SG CYS A 36 -20.088 -0.761 -3.166 1.00 0.00 S ATOM 0 H CYS A 36 -20.288 -3.815 -4.458 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.178 -3.506 -2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.375 -1.469 -2.857 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.493 -1.487 -1.342 1.00 0.00 H new ATOM 539 N ARG A 37 -22.542 -5.211 -2.431 1.00 0.00 N ATOM 540 CA ARG A 37 -23.564 -6.091 -1.789 1.00 0.00 C ATOM 541 C ARG A 37 -22.885 -7.290 -1.115 1.00 0.00 C ATOM 542 O ARG A 37 -21.884 -7.796 -1.590 1.00 0.00 O ATOM 543 CB ARG A 37 -24.470 -6.564 -2.930 1.00 0.00 C ATOM 544 CG ARG A 37 -25.207 -5.367 -3.543 1.00 0.00 C ATOM 545 CD ARG A 37 -26.516 -5.124 -2.785 1.00 0.00 C ATOM 546 NE ARG A 37 -27.494 -4.709 -3.833 1.00 0.00 N ATOM 547 CZ ARG A 37 -28.563 -5.429 -4.050 1.00 0.00 C ATOM 548 NH1 ARG A 37 -28.528 -6.402 -4.923 1.00 0.00 N ATOM 549 NH2 ARG A 37 -29.664 -5.175 -3.393 1.00 0.00 N ATOM 0 H ARG A 37 -22.154 -5.567 -3.304 1.00 0.00 H new ATOM 0 HA ARG A 37 -24.126 -5.565 -1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -23.876 -7.066 -3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -25.190 -7.292 -2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -24.578 -4.478 -3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -25.415 -5.556 -4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -26.848 -6.025 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -26.396 -4.350 -2.027 1.00 0.00 H new ATOM 0 HE ARG A 37 -27.328 -3.864 -4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -27.667 -6.598 -5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -29.362 -6.965 -5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -29.688 -4.416 -2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -30.499 -5.736 -3.561 1.00 0.00 H new ATOM 563 N GLY A 38 -23.427 -7.749 -0.014 1.00 0.00 N ATOM 564 CA GLY A 38 -22.827 -8.919 0.698 1.00 0.00 C ATOM 565 C GLY A 38 -21.671 -8.468 1.603 1.00 0.00 C ATOM 566 O GLY A 38 -20.771 -9.236 1.887 1.00 0.00 O ATOM 0 H GLY A 38 -24.263 -7.362 0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -23.590 -9.418 1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.465 -9.646 -0.028 1.00 0.00 H new ATOM 570 N ILE A 39 -21.688 -7.238 2.065 1.00 0.00 N ATOM 571 CA ILE A 39 -20.592 -6.752 2.959 1.00 0.00 C ATOM 572 C ILE A 39 -21.175 -5.941 4.120 1.00 0.00 C ATOM 573 O ILE A 39 -22.288 -5.450 4.052 1.00 0.00 O ATOM 574 CB ILE A 39 -19.682 -5.869 2.086 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.432 -4.598 1.664 1.00 0.00 C ATOM 576 CG2 ILE A 39 -19.242 -6.647 0.842 1.00 0.00 C ATOM 577 CD1 ILE A 39 -19.527 -3.734 0.784 1.00 0.00 C ATOM 0 H ILE A 39 -22.414 -6.552 1.860 1.00 0.00 H new ATOM 0 HA ILE A 39 -20.035 -7.582 3.393 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.802 -5.587 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.339 -4.863 1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.741 -4.037 2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -18.598 -6.017 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.694 -7.539 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -20.120 -6.939 0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.062 -2.832 0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.633 -3.457 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.240 -4.296 -0.105 1.00 0.00 H new ATOM 589 N SER A 40 -20.426 -5.792 5.179 1.00 0.00 N ATOM 590 CA SER A 40 -20.922 -5.007 6.346 1.00 0.00 C ATOM 591 C SER A 40 -20.633 -3.521 6.139 1.00 0.00 C ATOM 592 O SER A 40 -19.883 -3.142 5.257 1.00 0.00 O ATOM 593 CB SER A 40 -20.139 -5.536 7.547 1.00 0.00 C ATOM 594 OG SER A 40 -20.546 -6.868 7.826 1.00 0.00 O ATOM 0 H SER A 40 -19.489 -6.181 5.287 1.00 0.00 H new ATOM 0 HA SER A 40 -21.998 -5.111 6.483 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.069 -5.507 7.339 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.312 -4.901 8.416 1.00 0.00 H new ATOM 0 HG SER A 40 -20.043 -7.209 8.595 1.00 0.00 H new ATOM 600 N PHE A 41 -21.210 -2.680 6.955 1.00 0.00 N ATOM 601 CA PHE A 41 -20.958 -1.213 6.823 1.00 0.00 C ATOM 602 C PHE A 41 -19.464 -0.934 7.020 1.00 0.00 C ATOM 603 O PHE A 41 -18.858 -0.201 6.262 1.00 0.00 O ATOM 604 CB PHE A 41 -21.789 -0.562 7.935 1.00 0.00 C ATOM 605 CG PHE A 41 -21.875 0.931 7.706 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.713 1.443 6.706 1.00 0.00 C ATOM 607 CD2 PHE A 41 -21.121 1.803 8.501 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.793 2.825 6.502 1.00 0.00 C ATOM 609 CE2 PHE A 41 -21.202 3.185 8.295 1.00 0.00 C ATOM 610 CZ PHE A 41 -22.039 3.695 7.296 1.00 0.00 C ATOM 0 H PHE A 41 -21.845 -2.944 7.708 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.233 -0.823 5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.790 -0.994 7.954 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -21.336 -0.764 8.906 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -23.296 0.772 6.093 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.477 1.409 9.273 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -23.438 3.220 5.731 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.619 3.858 8.907 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.103 4.761 7.138 1.00 0.00 H new ATOM 620 N SER A 42 -18.866 -1.531 8.025 1.00 0.00 N ATOM 621 CA SER A 42 -17.406 -1.320 8.269 1.00 0.00 C ATOM 622 C SER A 42 -16.591 -1.902 7.110 1.00 0.00 C ATOM 623 O SER A 42 -15.608 -1.324 6.687 1.00 0.00 O ATOM 624 CB SER A 42 -17.095 -2.068 9.567 1.00 0.00 C ATOM 625 OG SER A 42 -15.903 -1.544 10.141 1.00 0.00 O ATOM 0 H SER A 42 -19.328 -2.155 8.686 1.00 0.00 H new ATOM 0 HA SER A 42 -17.153 -0.262 8.344 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.924 -1.965 10.267 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.978 -3.133 9.367 1.00 0.00 H new ATOM 0 HG SER A 42 -15.704 -2.021 10.973 1.00 0.00 H new ATOM 631 N GLN A 43 -17.000 -3.034 6.582 1.00 0.00 N ATOM 632 CA GLN A 43 -16.252 -3.638 5.436 1.00 0.00 C ATOM 633 C GLN A 43 -16.313 -2.700 4.228 1.00 0.00 C ATOM 634 O GLN A 43 -15.324 -2.480 3.555 1.00 0.00 O ATOM 635 CB GLN A 43 -16.966 -4.960 5.130 1.00 0.00 C ATOM 636 CG GLN A 43 -15.983 -5.939 4.477 1.00 0.00 C ATOM 637 CD GLN A 43 -15.123 -6.609 5.552 1.00 0.00 C ATOM 638 OE1 GLN A 43 -14.096 -6.085 5.937 1.00 0.00 O ATOM 639 NE2 GLN A 43 -15.500 -7.752 6.055 1.00 0.00 N ATOM 0 H GLN A 43 -17.815 -3.561 6.895 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.200 -3.800 5.669 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.366 -5.390 6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.812 -4.782 4.466 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -16.530 -6.695 3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.347 -5.410 3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.362 -8.192 5.732 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.933 -8.206 6.771 1.00 0.00 H new ATOM 648 N ALA A 44 -17.468 -2.138 3.960 1.00 0.00 N ATOM 649 CA ALA A 44 -17.602 -1.201 2.805 1.00 0.00 C ATOM 650 C ALA A 44 -16.790 0.073 3.071 1.00 0.00 C ATOM 651 O ALA A 44 -16.157 0.611 2.181 1.00 0.00 O ATOM 652 CB ALA A 44 -19.099 -0.893 2.717 1.00 0.00 C ATOM 0 H ALA A 44 -18.324 -2.290 4.494 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.226 -1.624 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.281 -0.208 1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.652 -1.818 2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.431 -0.434 3.648 1.00 0.00 H new ATOM 658 N ARG A 45 -16.790 0.540 4.296 1.00 0.00 N ATOM 659 CA ARG A 45 -16.003 1.764 4.639 1.00 0.00 C ATOM 660 C ARG A 45 -14.502 1.467 4.510 1.00 0.00 C ATOM 661 O ARG A 45 -13.724 2.295 4.072 1.00 0.00 O ATOM 662 CB ARG A 45 -16.360 2.077 6.098 1.00 0.00 C ATOM 663 CG ARG A 45 -16.890 3.508 6.203 1.00 0.00 C ATOM 664 CD ARG A 45 -18.385 3.481 6.531 1.00 0.00 C ATOM 665 NE ARG A 45 -18.750 4.907 6.772 1.00 0.00 N ATOM 666 CZ ARG A 45 -19.473 5.561 5.898 1.00 0.00 C ATOM 667 NH1 ARG A 45 -19.215 5.454 4.620 1.00 0.00 N ATOM 668 NH2 ARG A 45 -20.453 6.325 6.307 1.00 0.00 N ATOM 0 H ARG A 45 -17.302 0.125 5.074 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.229 2.601 3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.111 1.373 6.458 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.481 1.957 6.731 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -16.348 4.051 6.977 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.723 4.038 5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.962 3.059 5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -18.586 2.868 7.409 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.435 5.375 7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.449 4.860 4.302 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.780 5.965 3.941 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -20.652 6.410 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -21.018 6.836 5.629 1.00 0.00 H new ATOM 682 N SER A 46 -14.099 0.282 4.904 1.00 0.00 N ATOM 683 CA SER A 46 -12.657 -0.107 4.833 1.00 0.00 C ATOM 684 C SER A 46 -12.145 -0.119 3.384 1.00 0.00 C ATOM 685 O SER A 46 -11.036 0.302 3.117 1.00 0.00 O ATOM 686 CB SER A 46 -12.603 -1.515 5.431 1.00 0.00 C ATOM 687 OG SER A 46 -11.249 -1.898 5.631 1.00 0.00 O ATOM 0 H SER A 46 -14.717 -0.440 5.276 1.00 0.00 H new ATOM 0 HA SER A 46 -12.025 0.601 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.142 -1.539 6.378 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.097 -2.223 4.765 1.00 0.00 H new ATOM 0 HG SER A 46 -11.217 -2.799 6.015 1.00 0.00 H new ATOM 693 N CYS A 47 -12.926 -0.610 2.448 1.00 0.00 N ATOM 694 CA CYS A 47 -12.443 -0.653 1.032 1.00 0.00 C ATOM 695 C CYS A 47 -12.511 0.729 0.370 1.00 0.00 C ATOM 696 O CYS A 47 -11.734 1.023 -0.517 1.00 0.00 O ATOM 697 CB CYS A 47 -13.351 -1.639 0.302 1.00 0.00 C ATOM 698 SG CYS A 47 -12.501 -2.204 -1.193 1.00 0.00 S ATOM 0 H CYS A 47 -13.865 -0.978 2.602 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.398 -0.961 0.993 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.587 -2.486 0.947 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.297 -1.163 0.043 1.00 0.00 H new ATOM 703 N CYS A 48 -13.419 1.582 0.786 1.00 0.00 N ATOM 704 CA CYS A 48 -13.495 2.941 0.159 1.00 0.00 C ATOM 705 C CYS A 48 -12.160 3.670 0.348 1.00 0.00 C ATOM 706 O CYS A 48 -11.667 4.323 -0.550 1.00 0.00 O ATOM 707 CB CYS A 48 -14.618 3.673 0.892 1.00 0.00 C ATOM 708 SG CYS A 48 -14.737 5.374 0.282 1.00 0.00 S ATOM 0 H CYS A 48 -14.101 1.400 1.522 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.691 2.891 -0.912 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.564 3.154 0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.425 3.674 1.965 1.00 0.00 H new ATOM 713 N SER A 49 -11.568 3.554 1.509 1.00 0.00 N ATOM 714 CA SER A 49 -10.259 4.227 1.753 1.00 0.00 C ATOM 715 C SER A 49 -9.101 3.326 1.297 1.00 0.00 C ATOM 716 O SER A 49 -8.023 3.801 0.996 1.00 0.00 O ATOM 717 CB SER A 49 -10.197 4.453 3.263 1.00 0.00 C ATOM 718 OG SER A 49 -9.145 5.363 3.557 1.00 0.00 O ATOM 0 H SER A 49 -11.935 3.022 2.298 1.00 0.00 H new ATOM 0 HA SER A 49 -10.172 5.161 1.199 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.147 4.848 3.623 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.030 3.507 3.778 1.00 0.00 H new ATOM 0 HG SER A 49 -9.102 5.512 4.525 1.00 0.00 H new ATOM 724 N ARG A 50 -9.314 2.034 1.250 1.00 0.00 N ATOM 725 CA ARG A 50 -8.226 1.101 0.824 1.00 0.00 C ATOM 726 C ARG A 50 -8.060 1.107 -0.703 1.00 0.00 C ATOM 727 O ARG A 50 -6.959 0.995 -1.206 1.00 0.00 O ATOM 728 CB ARG A 50 -8.674 -0.281 1.305 1.00 0.00 C ATOM 729 CG ARG A 50 -7.521 -1.279 1.158 1.00 0.00 C ATOM 730 CD ARG A 50 -7.767 -2.175 -0.061 1.00 0.00 C ATOM 731 NE ARG A 50 -8.839 -3.129 0.356 1.00 0.00 N ATOM 732 CZ ARG A 50 -8.599 -4.025 1.277 1.00 0.00 C ATOM 733 NH1 ARG A 50 -7.823 -5.042 1.010 1.00 0.00 N ATOM 734 NH2 ARG A 50 -9.135 -3.899 2.463 1.00 0.00 N ATOM 0 H ARG A 50 -10.198 1.584 1.489 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.262 1.392 1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.992 -0.229 2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -9.534 -0.617 0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.577 -0.745 1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.437 -1.888 2.058 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.079 -1.587 -0.924 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.859 -2.706 -0.348 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.760 -3.081 -0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.406 -5.136 0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.635 -5.742 1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.739 -3.103 2.668 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.949 -4.597 3.183 1.00 0.00 H new ATOM 748 N LEU A 51 -9.138 1.218 -1.443 1.00 0.00 N ATOM 749 CA LEU A 51 -9.023 1.212 -2.936 1.00 0.00 C ATOM 750 C LEU A 51 -10.040 2.157 -3.594 1.00 0.00 C ATOM 751 O LEU A 51 -10.302 2.055 -4.780 1.00 0.00 O ATOM 752 CB LEU A 51 -9.309 -0.238 -3.339 1.00 0.00 C ATOM 753 CG LEU A 51 -8.037 -0.866 -3.909 1.00 0.00 C ATOM 754 CD1 LEU A 51 -8.042 -2.375 -3.644 1.00 0.00 C ATOM 755 CD2 LEU A 51 -7.974 -0.612 -5.418 1.00 0.00 C ATOM 0 H LEU A 51 -10.087 1.312 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.042 1.559 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.653 -0.806 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.108 -0.270 -4.080 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.167 -0.419 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.134 -2.819 -4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.084 -2.556 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.912 -2.825 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.067 -1.060 -5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.845 -1.057 -5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.965 0.462 -5.606 1.00 0.00 H new ATOM 767 N GLY A 52 -10.616 3.071 -2.850 1.00 0.00 N ATOM 768 CA GLY A 52 -11.614 4.009 -3.452 1.00 0.00 C ATOM 769 C GLY A 52 -12.800 3.210 -4.007 1.00 0.00 C ATOM 770 O GLY A 52 -13.391 3.578 -5.005 1.00 0.00 O ATOM 0 H GLY A 52 -10.438 3.207 -1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.960 4.719 -2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.149 4.589 -4.249 1.00 0.00 H new ATOM 774 N ARG A 53 -13.146 2.116 -3.372 1.00 0.00 N ATOM 775 CA ARG A 53 -14.286 1.289 -3.867 1.00 0.00 C ATOM 776 C ARG A 53 -15.384 1.195 -2.805 1.00 0.00 C ATOM 777 O ARG A 53 -15.114 1.150 -1.620 1.00 0.00 O ATOM 778 CB ARG A 53 -13.692 -0.094 -4.138 1.00 0.00 C ATOM 779 CG ARG A 53 -13.194 -0.168 -5.585 1.00 0.00 C ATOM 780 CD ARG A 53 -14.345 -0.597 -6.503 1.00 0.00 C ATOM 781 NE ARG A 53 -13.965 -0.102 -7.858 1.00 0.00 N ATOM 782 CZ ARG A 53 -14.464 1.017 -8.310 1.00 0.00 C ATOM 783 NH1 ARG A 53 -15.652 1.029 -8.859 1.00 0.00 N ATOM 784 NH2 ARG A 53 -13.774 2.123 -8.214 1.00 0.00 N ATOM 0 H ARG A 53 -12.687 1.762 -2.533 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.742 1.721 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -12.869 -0.288 -3.450 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.443 -0.864 -3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.808 0.802 -5.898 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.371 -0.878 -5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.470 -1.680 -6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.291 -0.166 -6.177 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.315 -0.638 -8.432 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.188 0.164 -8.934 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.042 1.903 -9.212 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.848 2.111 -7.787 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.162 2.998 -8.566 1.00 0.00 H new ATOM 798 N CYS A 54 -16.621 1.179 -3.236 1.00 0.00 N ATOM 799 CA CYS A 54 -17.778 1.104 -2.287 1.00 0.00 C ATOM 800 C CYS A 54 -17.744 2.319 -1.360 1.00 0.00 C ATOM 801 O CYS A 54 -17.728 2.206 -0.149 1.00 0.00 O ATOM 802 CB CYS A 54 -17.607 -0.208 -1.506 1.00 0.00 C ATOM 803 SG CYS A 54 -18.391 -1.564 -2.418 1.00 0.00 S ATOM 0 H CYS A 54 -16.883 1.215 -4.221 1.00 0.00 H new ATOM 0 HA CYS A 54 -18.740 1.114 -2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.548 -0.420 -1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.054 -0.115 -0.516 1.00 0.00 H new ATOM 808 N CYS A 55 -17.713 3.483 -1.944 1.00 0.00 N ATOM 809 CA CYS A 55 -17.657 4.739 -1.146 1.00 0.00 C ATOM 810 C CYS A 55 -19.057 5.360 -0.976 1.00 0.00 C ATOM 811 O CYS A 55 -19.266 6.192 -0.114 1.00 0.00 O ATOM 812 CB CYS A 55 -16.747 5.656 -1.964 1.00 0.00 C ATOM 813 SG CYS A 55 -15.020 5.176 -1.709 1.00 0.00 S ATOM 0 H CYS A 55 -17.724 3.620 -2.955 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.287 4.571 -0.134 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.002 5.589 -3.022 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.895 6.694 -1.665 1.00 0.00 H new ATOM 818 N HIS A 56 -20.015 4.963 -1.783 1.00 0.00 N ATOM 819 CA HIS A 56 -21.393 5.528 -1.663 1.00 0.00 C ATOM 820 C HIS A 56 -22.357 4.458 -1.127 1.00 0.00 C ATOM 821 O HIS A 56 -23.475 4.320 -1.591 1.00 0.00 O ATOM 822 CB HIS A 56 -21.768 5.943 -3.090 1.00 0.00 C ATOM 823 CG HIS A 56 -22.791 7.045 -3.049 1.00 0.00 C ATOM 824 ND1 HIS A 56 -24.149 6.794 -3.147 1.00 0.00 N ATOM 825 CD2 HIS A 56 -22.668 8.407 -2.929 1.00 0.00 C ATOM 826 CE1 HIS A 56 -24.786 7.977 -3.088 1.00 0.00 C ATOM 827 NE2 HIS A 56 -23.930 8.994 -2.955 1.00 0.00 N ATOM 0 H HIS A 56 -19.898 4.269 -2.521 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.446 6.368 -0.970 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -20.880 6.279 -3.626 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.165 5.086 -3.635 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -21.735 8.941 -2.830 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -25.859 8.091 -3.142 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -24.153 9.987 -2.887 1.00 0.00 H new ATOM 835 N VAL A 57 -21.923 3.695 -0.155 1.00 0.00 N ATOM 836 CA VAL A 57 -22.795 2.622 0.421 1.00 0.00 C ATOM 837 C VAL A 57 -23.794 3.223 1.421 1.00 0.00 C ATOM 838 O VAL A 57 -23.409 3.793 2.427 1.00 0.00 O ATOM 839 CB VAL A 57 -21.837 1.658 1.136 1.00 0.00 C ATOM 840 CG1 VAL A 57 -22.624 0.471 1.702 1.00 0.00 C ATOM 841 CG2 VAL A 57 -20.790 1.139 0.145 1.00 0.00 C ATOM 0 H VAL A 57 -20.997 3.769 0.267 1.00 0.00 H new ATOM 0 HA VAL A 57 -23.379 2.117 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.341 2.189 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -21.940 -0.210 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.368 0.833 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.124 -0.055 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.112 0.455 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.289 0.614 -0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.223 1.978 -0.258 1.00 0.00 H new ATOM 851 N GLY A 58 -25.070 3.089 1.157 1.00 0.00 N ATOM 852 CA GLY A 58 -26.099 3.639 2.090 1.00 0.00 C ATOM 853 C GLY A 58 -26.276 5.140 1.851 1.00 0.00 C ATOM 854 O GLY A 58 -25.519 5.950 2.353 1.00 0.00 O ATOM 0 H GLY A 58 -25.444 2.620 0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -27.048 3.125 1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.798 3.460 3.122 1.00 0.00 H new ATOM 858 N LYS A 59 -27.276 5.517 1.093 1.00 0.00 N ATOM 859 CA LYS A 59 -27.519 6.966 0.819 1.00 0.00 C ATOM 860 C LYS A 59 -28.981 7.197 0.415 1.00 0.00 C ATOM 861 O LYS A 59 -29.648 6.302 -0.071 1.00 0.00 O ATOM 862 CB LYS A 59 -26.577 7.324 -0.337 1.00 0.00 C ATOM 863 CG LYS A 59 -25.528 8.331 0.148 1.00 0.00 C ATOM 864 CD LYS A 59 -26.031 9.758 -0.093 1.00 0.00 C ATOM 865 CE LYS A 59 -25.428 10.698 0.957 1.00 0.00 C ATOM 866 NZ LYS A 59 -25.508 12.061 0.355 1.00 0.00 N ATOM 0 H LYS A 59 -27.938 4.879 0.650 1.00 0.00 H new ATOM 0 HA LYS A 59 -27.333 7.583 1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -26.087 6.425 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.146 7.746 -1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -25.328 8.180 1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -24.587 8.173 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -25.754 10.088 -1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -27.119 9.785 -0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -25.982 10.649 1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.396 10.427 1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.113 12.757 1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -24.965 12.081 -0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -26.502 12.296 0.158 1.00 0.00 H new ATOM 880 N GLY A 60 -29.481 8.392 0.614 1.00 0.00 N ATOM 881 CA GLY A 60 -30.897 8.688 0.246 1.00 0.00 C ATOM 882 C GLY A 60 -31.812 8.393 1.439 1.00 0.00 C ATOM 883 O GLY A 60 -31.774 7.319 2.009 1.00 0.00 O ATOM 0 H GLY A 60 -28.967 9.176 1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -30.995 9.732 -0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -31.194 8.084 -0.611 1.00 0.00 H new ATOM 887 N TYR A 61 -32.633 9.341 1.818 1.00 0.00 N ATOM 888 CA TYR A 61 -33.556 9.123 2.974 1.00 0.00 C ATOM 889 C TYR A 61 -34.777 8.302 2.541 1.00 0.00 C ATOM 890 O TYR A 61 -35.022 8.109 1.363 1.00 0.00 O ATOM 891 CB TYR A 61 -33.983 10.526 3.417 1.00 0.00 C ATOM 892 CG TYR A 61 -34.274 10.528 4.899 1.00 0.00 C ATOM 893 CD1 TYR A 61 -33.219 10.562 5.819 1.00 0.00 C ATOM 894 CD2 TYR A 61 -35.598 10.498 5.353 1.00 0.00 C ATOM 895 CE1 TYR A 61 -33.488 10.565 7.193 1.00 0.00 C ATOM 896 CE2 TYR A 61 -35.866 10.501 6.727 1.00 0.00 C ATOM 897 CZ TYR A 61 -34.812 10.534 7.646 1.00 0.00 C ATOM 898 OH TYR A 61 -35.077 10.538 9.001 1.00 0.00 O ATOM 0 H TYR A 61 -32.704 10.258 1.376 1.00 0.00 H new ATOM 0 HA TYR A 61 -33.075 8.569 3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -33.195 11.244 3.191 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -34.868 10.839 2.863 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -32.198 10.586 5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -36.412 10.473 4.644 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -32.674 10.591 7.903 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -36.887 10.478 7.078 1.00 0.00 H new ATOM 0 HH TYR A 61 -36.046 10.515 9.145 1.00 0.00 H new ATOM 908 N SER A 62 -35.543 7.822 3.488 1.00 0.00 N ATOM 909 CA SER A 62 -36.754 7.015 3.147 1.00 0.00 C ATOM 910 C SER A 62 -37.918 7.934 2.763 1.00 0.00 C ATOM 911 O SER A 62 -37.864 9.136 2.951 1.00 0.00 O ATOM 912 CB SER A 62 -37.095 6.226 4.415 1.00 0.00 C ATOM 913 OG SER A 62 -37.103 7.102 5.539 1.00 0.00 O ATOM 0 H SER A 62 -35.381 7.955 4.486 1.00 0.00 H new ATOM 0 HA SER A 62 -36.572 6.356 2.298 1.00 0.00 H new ATOM 0 HB2 SER A 62 -38.069 5.749 4.307 1.00 0.00 H new ATOM 0 HB3 SER A 62 -36.365 5.431 4.567 1.00 0.00 H new ATOM 0 HG SER A 62 -37.323 6.594 6.348 1.00 0.00 H new ATOM 919 N GLY A 63 -38.970 7.370 2.226 1.00 0.00 N ATOM 920 CA GLY A 63 -40.149 8.192 1.823 1.00 0.00 C ATOM 921 C GLY A 63 -39.790 9.049 0.605 1.00 0.00 C ATOM 922 O GLY A 63 -39.340 8.486 -0.380 1.00 0.00 O ATOM 923 OXT GLY A 63 -39.968 10.253 0.680 1.00 0.00 O ATOM 0 H GLY A 63 -39.062 6.370 2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -40.993 7.544 1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -40.459 8.831 2.650 1.00 0.00 H new TER 927 GLY A 63