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 Set 1.1: A 40 SER OG : rot 180:sc= 0.0212 USER MOD Set 1.2: A 43 GLN : amide:sc= 0 X(o=0.021,f=0.021) USER MOD Set 2.1: A 1 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.47) USER MOD Set 2.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLN N :NH3+ 136:sc= 0.0675 (180deg=-0.274) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -130:sc= -0.0467 USER MOD Single : A 30 ASN : amide:sc= -0.616 X(o=-0.62,f=-0.52) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 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= -0.06 X(o=-0.06,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.00735) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0634 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 6.525 -25.643 -20.216 1.00 0.00 N ATOM 2 CA GLN A 1 7.445 -25.802 -21.387 1.00 0.00 C ATOM 3 C GLN A 1 6.959 -24.965 -22.575 1.00 0.00 C ATOM 4 O GLN A 1 5.869 -24.425 -22.564 1.00 0.00 O ATOM 5 CB GLN A 1 7.415 -27.295 -21.743 1.00 0.00 C ATOM 6 CG GLN A 1 5.992 -27.717 -22.141 1.00 0.00 C ATOM 7 CD GLN A 1 6.049 -28.714 -23.302 1.00 0.00 C ATOM 8 OE1 GLN A 1 5.511 -29.797 -23.209 1.00 0.00 O ATOM 9 NE2 GLN A 1 6.677 -28.392 -24.401 1.00 0.00 N ATOM 0 H1 GLN A 1 6.344 -26.573 -19.788 1.00 0.00 H new ATOM 0 H2 GLN A 1 6.965 -25.018 -19.511 1.00 0.00 H new ATOM 0 H3 GLN A 1 5.626 -25.227 -20.534 1.00 0.00 H new ATOM 0 HA GLN A 1 8.453 -25.463 -21.148 1.00 0.00 H new ATOM 0 HB2 GLN A 1 8.104 -27.495 -22.563 1.00 0.00 H new ATOM 0 HB3 GLN A 1 7.753 -27.886 -20.892 1.00 0.00 H new ATOM 0 HG2 GLN A 1 5.485 -28.168 -21.288 1.00 0.00 H new ATOM 0 HG3 GLN A 1 5.411 -26.841 -22.431 1.00 0.00 H new ATOM 0 HE21 GLN A 1 7.130 -27.482 -24.481 1.00 0.00 H new ATOM 0 HE22 GLN A 1 6.714 -29.051 -25.179 1.00 0.00 H new ATOM 20 N VAL A 2 7.764 -24.869 -23.601 1.00 0.00 N ATOM 21 CA VAL A 2 7.364 -24.083 -24.805 1.00 0.00 C ATOM 22 C VAL A 2 7.798 -24.823 -26.080 1.00 0.00 C ATOM 23 O VAL A 2 8.941 -25.215 -26.220 1.00 0.00 O ATOM 24 CB VAL A 2 8.073 -22.725 -24.660 1.00 0.00 C ATOM 25 CG1 VAL A 2 9.585 -22.880 -24.859 1.00 0.00 C ATOM 26 CG2 VAL A 2 7.521 -21.746 -25.700 1.00 0.00 C ATOM 0 H VAL A 2 8.685 -25.303 -23.657 1.00 0.00 H new ATOM 0 HA VAL A 2 6.285 -23.949 -24.881 1.00 0.00 H new ATOM 0 HB VAL A 2 7.889 -22.342 -23.656 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.067 -21.908 -24.752 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.982 -23.566 -24.111 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.782 -23.276 -25.855 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.023 -20.784 -25.597 1.00 0.00 H new ATOM 0 HG22 VAL A 2 7.696 -22.141 -26.701 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.450 -21.615 -25.544 1.00 0.00 H new ATOM 36 N TYR A 3 6.877 -25.026 -26.999 1.00 0.00 N ATOM 37 CA TYR A 3 7.193 -25.753 -28.278 1.00 0.00 C ATOM 38 C TYR A 3 7.688 -27.180 -27.993 1.00 0.00 C ATOM 39 O TYR A 3 7.874 -27.574 -26.856 1.00 0.00 O ATOM 40 CB TYR A 3 8.287 -24.928 -28.976 1.00 0.00 C ATOM 41 CG TYR A 3 7.744 -23.571 -29.361 1.00 0.00 C ATOM 42 CD1 TYR A 3 6.679 -23.470 -30.266 1.00 0.00 C ATOM 43 CD2 TYR A 3 8.307 -22.413 -28.813 1.00 0.00 C ATOM 44 CE1 TYR A 3 6.179 -22.211 -30.621 1.00 0.00 C ATOM 45 CE2 TYR A 3 7.808 -21.156 -29.167 1.00 0.00 C ATOM 46 CZ TYR A 3 6.743 -21.054 -30.070 1.00 0.00 C ATOM 47 OH TYR A 3 6.250 -19.814 -30.419 1.00 0.00 O ATOM 0 H TYR A 3 5.909 -24.715 -26.916 1.00 0.00 H new ATOM 0 HA TYR A 3 6.306 -25.851 -28.904 1.00 0.00 H new ATOM 0 HB2 TYR A 3 9.144 -24.811 -28.313 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.639 -25.453 -29.864 1.00 0.00 H new ATOM 0 HD1 TYR A 3 6.244 -24.363 -30.690 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.128 -22.490 -28.116 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.359 -22.133 -31.319 1.00 0.00 H new ATOM 0 HE2 TYR A 3 8.244 -20.263 -28.744 1.00 0.00 H new ATOM 0 HH TYR A 3 6.752 -19.118 -29.947 1.00 0.00 H new ATOM 57 N LYS A 4 7.898 -27.956 -29.025 1.00 0.00 N ATOM 58 CA LYS A 4 8.381 -29.358 -28.831 1.00 0.00 C ATOM 59 C LYS A 4 9.837 -29.478 -29.299 1.00 0.00 C ATOM 60 O LYS A 4 10.109 -29.758 -30.453 1.00 0.00 O ATOM 61 CB LYS A 4 7.453 -30.225 -29.692 1.00 0.00 C ATOM 62 CG LYS A 4 6.618 -31.139 -28.789 1.00 0.00 C ATOM 63 CD LYS A 4 7.323 -32.490 -28.634 1.00 0.00 C ATOM 64 CE LYS A 4 6.467 -33.418 -27.765 1.00 0.00 C ATOM 65 NZ LYS A 4 7.419 -34.426 -27.217 1.00 0.00 N ATOM 0 H LYS A 4 7.756 -27.679 -29.996 1.00 0.00 H new ATOM 0 HA LYS A 4 8.359 -29.667 -27.786 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.798 -29.591 -30.290 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.040 -30.823 -30.388 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.480 -30.675 -27.812 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.626 -31.282 -29.217 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.487 -32.941 -29.613 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.303 -32.350 -28.179 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.975 -32.865 -26.965 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.683 -33.895 -28.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.904 -35.096 -26.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.868 -34.942 -28.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.150 -33.944 -26.656 1.00 0.00 H new ATOM 79 N GLY A 5 10.774 -29.263 -28.410 1.00 0.00 N ATOM 80 CA GLY A 5 12.214 -29.357 -28.794 1.00 0.00 C ATOM 81 C GLY A 5 13.093 -29.182 -27.552 1.00 0.00 C ATOM 82 O GLY A 5 12.677 -28.607 -26.563 1.00 0.00 O ATOM 0 H GLY A 5 10.602 -29.026 -27.433 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.414 -30.322 -29.259 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.454 -28.592 -29.532 1.00 0.00 H new ATOM 86 N GLY A 6 14.307 -29.675 -27.600 1.00 0.00 N ATOM 87 CA GLY A 6 15.225 -29.547 -26.428 1.00 0.00 C ATOM 88 C GLY A 6 14.704 -30.403 -25.268 1.00 0.00 C ATOM 89 O GLY A 6 14.745 -29.997 -24.122 1.00 0.00 O ATOM 0 H GLY A 6 14.702 -30.162 -28.404 1.00 0.00 H new ATOM 0 HA2 GLY A 6 16.230 -29.865 -26.705 1.00 0.00 H new ATOM 0 HA3 GLY A 6 15.294 -28.504 -26.120 1.00 0.00 H new ATOM 93 N TYR A 7 14.212 -31.582 -25.559 1.00 0.00 N ATOM 94 CA TYR A 7 13.683 -32.465 -24.479 1.00 0.00 C ATOM 95 C TYR A 7 14.708 -33.548 -24.122 1.00 0.00 C ATOM 96 O TYR A 7 15.164 -34.287 -24.975 1.00 0.00 O ATOM 97 CB TYR A 7 12.411 -33.094 -25.060 1.00 0.00 C ATOM 98 CG TYR A 7 11.203 -32.550 -24.336 1.00 0.00 C ATOM 99 CD1 TYR A 7 10.704 -31.281 -24.658 1.00 0.00 C ATOM 100 CD2 TYR A 7 10.581 -33.315 -23.341 1.00 0.00 C ATOM 101 CE1 TYR A 7 9.585 -30.779 -23.985 1.00 0.00 C ATOM 102 CE2 TYR A 7 9.462 -32.811 -22.669 1.00 0.00 C ATOM 103 CZ TYR A 7 8.964 -31.543 -22.991 1.00 0.00 C ATOM 104 OH TYR A 7 7.861 -31.047 -22.327 1.00 0.00 O ATOM 0 H TYR A 7 14.155 -31.970 -26.501 1.00 0.00 H new ATOM 0 HA TYR A 7 13.479 -31.912 -23.562 1.00 0.00 H new ATOM 0 HB2 TYR A 7 12.339 -32.875 -26.125 1.00 0.00 H new ATOM 0 HB3 TYR A 7 12.450 -34.179 -24.959 1.00 0.00 H new ATOM 0 HD1 TYR A 7 11.183 -30.691 -25.425 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.965 -34.293 -23.093 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.200 -29.801 -24.233 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.982 -33.400 -21.902 1.00 0.00 H new ATOM 0 HH TYR A 7 7.552 -31.705 -21.669 1.00 0.00 H new ATOM 114 N ALA A 8 15.067 -33.645 -22.867 1.00 0.00 N ATOM 115 CA ALA A 8 16.058 -34.676 -22.441 1.00 0.00 C ATOM 116 C ALA A 8 15.629 -35.301 -21.106 1.00 0.00 C ATOM 117 O ALA A 8 16.239 -35.069 -20.079 1.00 0.00 O ATOM 118 CB ALA A 8 17.380 -33.918 -22.291 1.00 0.00 C ATOM 0 H ALA A 8 14.714 -33.051 -22.117 1.00 0.00 H new ATOM 0 HA ALA A 8 16.142 -35.494 -23.157 1.00 0.00 H new ATOM 0 HB1 ALA A 8 18.162 -34.610 -21.979 1.00 0.00 H new ATOM 0 HB2 ALA A 8 17.652 -33.469 -23.246 1.00 0.00 H new ATOM 0 HB3 ALA A 8 17.267 -33.135 -21.541 1.00 0.00 H new ATOM 124 N ARG A 9 14.582 -36.098 -21.124 1.00 0.00 N ATOM 125 CA ARG A 9 14.086 -36.761 -19.873 1.00 0.00 C ATOM 126 C ARG A 9 13.946 -35.740 -18.726 1.00 0.00 C ATOM 127 O ARG A 9 14.646 -35.821 -17.732 1.00 0.00 O ATOM 128 CB ARG A 9 15.145 -37.822 -19.556 1.00 0.00 C ATOM 129 CG ARG A 9 14.700 -38.669 -18.358 1.00 0.00 C ATOM 130 CD ARG A 9 15.922 -39.051 -17.515 1.00 0.00 C ATOM 131 NE ARG A 9 16.300 -37.806 -16.783 1.00 0.00 N ATOM 132 CZ ARG A 9 17.293 -37.822 -15.933 1.00 0.00 C ATOM 133 NH1 ARG A 9 17.148 -38.405 -14.771 1.00 0.00 N ATOM 134 NH2 ARG A 9 18.429 -37.255 -16.246 1.00 0.00 N ATOM 0 H ARG A 9 14.045 -36.319 -21.963 1.00 0.00 H new ATOM 0 HA ARG A 9 13.096 -37.199 -19.997 1.00 0.00 H new ATOM 0 HB2 ARG A 9 15.302 -38.461 -20.425 1.00 0.00 H new ATOM 0 HB3 ARG A 9 16.099 -37.341 -19.337 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.987 -38.112 -17.751 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.190 -39.568 -18.705 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.685 -39.858 -16.822 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.740 -39.401 -18.144 1.00 0.00 H new ATOM 0 HE ARG A 9 15.783 -36.942 -16.946 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.261 -38.846 -14.529 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.922 -38.418 -14.107 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.540 -36.801 -17.153 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.204 -37.267 -15.584 1.00 0.00 H new ATOM 148 N PRO A 10 13.039 -34.805 -18.904 1.00 0.00 N ATOM 149 CA PRO A 10 12.805 -33.763 -17.876 1.00 0.00 C ATOM 150 C PRO A 10 11.874 -34.288 -16.771 1.00 0.00 C ATOM 151 O PRO A 10 10.749 -34.675 -17.031 1.00 0.00 O ATOM 152 CB PRO A 10 12.132 -32.639 -18.660 1.00 0.00 C ATOM 153 CG PRO A 10 11.479 -33.302 -19.837 1.00 0.00 C ATOM 154 CD PRO A 10 12.162 -34.630 -20.068 1.00 0.00 C ATOM 0 HA PRO A 10 13.719 -33.446 -17.374 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.397 -32.118 -18.046 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.861 -31.896 -18.983 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.415 -33.449 -19.649 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.562 -32.672 -20.723 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.437 -35.440 -20.143 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.733 -34.626 -20.997 1.00 0.00 H new ATOM 162 N ILE A 11 12.335 -34.301 -15.542 1.00 0.00 N ATOM 163 CA ILE A 11 11.481 -34.796 -14.420 1.00 0.00 C ATOM 164 C ILE A 11 11.433 -33.746 -13.293 1.00 0.00 C ATOM 165 O ILE A 11 12.126 -33.870 -12.298 1.00 0.00 O ATOM 166 CB ILE A 11 12.151 -36.094 -13.942 1.00 0.00 C ATOM 167 CG1 ILE A 11 12.191 -37.111 -15.091 1.00 0.00 C ATOM 168 CG2 ILE A 11 11.354 -36.691 -12.777 1.00 0.00 C ATOM 169 CD1 ILE A 11 13.470 -37.945 -14.992 1.00 0.00 C ATOM 0 H ILE A 11 13.267 -33.989 -15.270 1.00 0.00 H new ATOM 0 HA ILE A 11 10.450 -34.973 -14.728 1.00 0.00 H new ATOM 0 HB ILE A 11 13.166 -35.867 -13.615 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.317 -37.760 -15.046 1.00 0.00 H new ATOM 0 HG13 ILE A 11 12.155 -36.594 -16.050 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.833 -37.611 -12.442 1.00 0.00 H new ATOM 0 HG22 ILE A 11 11.323 -35.977 -11.954 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.338 -36.910 -13.106 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.498 -38.667 -15.808 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.338 -37.289 -15.058 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.487 -38.474 -14.039 1.00 0.00 H new ATOM 181 N PRO A 12 10.615 -32.738 -13.492 1.00 0.00 N ATOM 182 CA PRO A 12 10.477 -31.655 -12.486 1.00 0.00 C ATOM 183 C PRO A 12 9.587 -32.107 -11.320 1.00 0.00 C ATOM 184 O PRO A 12 9.314 -33.280 -11.147 1.00 0.00 O ATOM 185 CB PRO A 12 9.811 -30.525 -13.269 1.00 0.00 C ATOM 186 CG PRO A 12 9.074 -31.195 -14.386 1.00 0.00 C ATOM 187 CD PRO A 12 9.756 -32.512 -14.660 1.00 0.00 C ATOM 0 HA PRO A 12 11.428 -31.362 -12.042 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.131 -29.956 -12.635 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.552 -29.823 -13.652 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.030 -31.354 -14.115 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.080 -30.569 -15.278 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.030 -33.316 -14.779 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.340 -32.471 -15.579 1.00 0.00 H new ATOM 195 N ARG A 13 9.135 -31.175 -10.524 1.00 0.00 N ATOM 196 CA ARG A 13 8.261 -31.523 -9.365 1.00 0.00 C ATOM 197 C ARG A 13 6.845 -31.867 -9.848 1.00 0.00 C ATOM 198 O ARG A 13 6.413 -31.403 -10.888 1.00 0.00 O ATOM 199 CB ARG A 13 8.233 -30.268 -8.485 1.00 0.00 C ATOM 200 CG ARG A 13 9.466 -30.246 -7.576 1.00 0.00 C ATOM 201 CD ARG A 13 10.428 -29.148 -8.039 1.00 0.00 C ATOM 202 NE ARG A 13 10.903 -28.497 -6.784 1.00 0.00 N ATOM 203 CZ ARG A 13 10.601 -27.249 -6.538 1.00 0.00 C ATOM 204 NH1 ARG A 13 11.346 -26.290 -7.023 1.00 0.00 N ATOM 205 NH2 ARG A 13 9.554 -26.964 -5.808 1.00 0.00 N ATOM 0 H ARG A 13 9.335 -30.180 -10.628 1.00 0.00 H new ATOM 0 HA ARG A 13 8.634 -32.392 -8.822 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.214 -29.375 -9.109 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.325 -30.255 -7.882 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.166 -30.068 -6.543 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.965 -31.215 -7.600 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.260 -29.565 -8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.926 -28.432 -8.690 1.00 0.00 H new ATOM 0 HE ARG A 13 11.464 -29.026 -6.117 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.161 -26.516 -7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.112 -25.316 -6.832 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.975 -27.715 -5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.317 -25.991 -5.615 1.00 0.00 H new ATOM 219 N PRO A 14 6.168 -32.673 -9.067 1.00 0.00 N ATOM 220 CA PRO A 14 4.783 -33.090 -9.408 1.00 0.00 C ATOM 221 C PRO A 14 3.794 -31.937 -9.167 1.00 0.00 C ATOM 222 O PRO A 14 3.926 -31.202 -8.207 1.00 0.00 O ATOM 223 CB PRO A 14 4.515 -34.250 -8.452 1.00 0.00 C ATOM 224 CG PRO A 14 5.431 -34.022 -7.291 1.00 0.00 C ATOM 225 CD PRO A 14 6.629 -33.265 -7.805 1.00 0.00 C ATOM 0 HA PRO A 14 4.666 -33.370 -10.455 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.473 -34.265 -8.134 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.716 -35.209 -8.930 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.926 -33.456 -6.509 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.736 -34.971 -6.851 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.948 -32.498 -7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.480 -33.927 -7.963 1.00 0.00 H new ATOM 233 N PRO A 15 2.830 -31.818 -10.055 1.00 0.00 N ATOM 234 CA PRO A 15 1.811 -30.743 -9.938 1.00 0.00 C ATOM 235 C PRO A 15 0.802 -31.063 -8.821 1.00 0.00 C ATOM 236 O PRO A 15 0.352 -32.188 -8.699 1.00 0.00 O ATOM 237 CB PRO A 15 1.126 -30.748 -11.302 1.00 0.00 C ATOM 238 CG PRO A 15 1.329 -32.131 -11.837 1.00 0.00 C ATOM 239 CD PRO A 15 2.607 -32.661 -11.238 1.00 0.00 C ATOM 0 HA PRO A 15 2.244 -29.776 -9.683 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.066 -30.512 -11.211 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.563 -30.001 -11.965 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.487 -32.772 -11.575 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.392 -32.117 -12.925 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.513 -33.712 -10.965 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.437 -32.587 -11.941 1.00 0.00 H new ATOM 247 N PRO A 16 0.477 -30.056 -8.042 1.00 0.00 N ATOM 248 CA PRO A 16 -0.488 -30.234 -6.931 1.00 0.00 C ATOM 249 C PRO A 16 -1.923 -30.300 -7.469 1.00 0.00 C ATOM 250 O PRO A 16 -2.249 -29.700 -8.477 1.00 0.00 O ATOM 251 CB PRO A 16 -0.292 -28.984 -6.078 1.00 0.00 C ATOM 252 CG PRO A 16 0.250 -27.951 -7.016 1.00 0.00 C ATOM 253 CD PRO A 16 0.974 -28.677 -8.120 1.00 0.00 C ATOM 0 HA PRO A 16 -0.327 -31.157 -6.374 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.233 -28.658 -5.634 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.400 -29.172 -5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.557 -27.341 -7.423 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.927 -27.276 -6.493 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.762 -28.233 -9.093 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.054 -28.636 -7.980 1.00 0.00 H new ATOM 261 N PHE A 17 -2.777 -31.020 -6.797 1.00 0.00 N ATOM 262 CA PHE A 17 -4.196 -31.129 -7.252 1.00 0.00 C ATOM 263 C PHE A 17 -4.970 -29.863 -6.874 1.00 0.00 C ATOM 264 O PHE A 17 -4.707 -29.247 -5.856 1.00 0.00 O ATOM 265 CB PHE A 17 -4.761 -32.350 -6.521 1.00 0.00 C ATOM 266 CG PHE A 17 -6.175 -32.616 -6.987 1.00 0.00 C ATOM 267 CD1 PHE A 17 -6.405 -33.169 -8.253 1.00 0.00 C ATOM 268 CD2 PHE A 17 -7.256 -32.311 -6.151 1.00 0.00 C ATOM 269 CE1 PHE A 17 -7.714 -33.414 -8.683 1.00 0.00 C ATOM 270 CE2 PHE A 17 -8.566 -32.556 -6.581 1.00 0.00 C ATOM 271 CZ PHE A 17 -8.794 -33.108 -7.848 1.00 0.00 C ATOM 0 H PHE A 17 -2.555 -31.541 -5.949 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.275 -31.237 -8.334 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.135 -33.222 -6.712 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.749 -32.179 -5.445 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.572 -33.406 -8.898 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.079 -31.886 -5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.891 -33.839 -9.660 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -9.400 -32.320 -5.936 1.00 0.00 H new ATOM 0 HZ PHE A 17 -9.804 -33.297 -8.180 1.00 0.00 H new ATOM 281 N VAL A 18 -5.925 -29.480 -7.693 1.00 0.00 N ATOM 282 CA VAL A 18 -6.749 -28.255 -7.420 1.00 0.00 C ATOM 283 C VAL A 18 -5.858 -26.997 -7.356 1.00 0.00 C ATOM 284 O VAL A 18 -4.647 -27.078 -7.263 1.00 0.00 O ATOM 285 CB VAL A 18 -7.447 -28.547 -6.078 1.00 0.00 C ATOM 286 CG1 VAL A 18 -7.651 -27.262 -5.267 1.00 0.00 C ATOM 287 CG2 VAL A 18 -8.813 -29.182 -6.353 1.00 0.00 C ATOM 0 H VAL A 18 -6.172 -29.972 -8.552 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.474 -28.050 -8.207 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.816 -29.224 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.146 -27.501 -4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.684 -26.803 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.269 -26.567 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.314 -29.392 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.422 -28.495 -6.941 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.677 -30.112 -6.906 1.00 0.00 H new ATOM 297 N ARG A 19 -6.457 -25.833 -7.416 1.00 0.00 N ATOM 298 CA ARG A 19 -5.662 -24.570 -7.362 1.00 0.00 C ATOM 299 C ARG A 19 -5.903 -23.856 -6.023 1.00 0.00 C ATOM 300 O ARG A 19 -6.810 -23.053 -5.903 1.00 0.00 O ATOM 301 CB ARG A 19 -6.174 -23.725 -8.534 1.00 0.00 C ATOM 302 CG ARG A 19 -5.121 -22.680 -8.915 1.00 0.00 C ATOM 303 CD ARG A 19 -4.104 -23.299 -9.879 1.00 0.00 C ATOM 304 NE ARG A 19 -2.827 -23.357 -9.110 1.00 0.00 N ATOM 305 CZ ARG A 19 -1.869 -22.509 -9.371 1.00 0.00 C ATOM 306 NH1 ARG A 19 -1.102 -22.692 -10.414 1.00 0.00 N ATOM 307 NH2 ARG A 19 -1.677 -21.480 -8.588 1.00 0.00 N ATOM 0 H ARG A 19 -7.465 -25.704 -7.500 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.589 -24.748 -7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.391 -24.365 -9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.107 -23.232 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.601 -21.819 -9.381 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.615 -22.317 -8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.418 -24.293 -10.198 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.995 -22.694 -10.779 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.702 -24.059 -8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.252 -23.496 -11.023 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.353 -22.030 -10.619 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.275 -21.340 -7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.929 -20.817 -8.791 1.00 0.00 H new ATOM 321 N PRO A 20 -5.076 -24.176 -5.052 1.00 0.00 N ATOM 322 CA PRO A 20 -5.202 -23.558 -3.706 1.00 0.00 C ATOM 323 C PRO A 20 -4.738 -22.096 -3.737 1.00 0.00 C ATOM 324 O PRO A 20 -4.297 -21.594 -4.755 1.00 0.00 O ATOM 325 CB PRO A 20 -4.278 -24.406 -2.835 1.00 0.00 C ATOM 326 CG PRO A 20 -3.278 -24.989 -3.781 1.00 0.00 C ATOM 327 CD PRO A 20 -3.962 -25.132 -5.114 1.00 0.00 C ATOM 0 HA PRO A 20 -6.228 -23.539 -3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.791 -23.800 -2.071 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.833 -25.188 -2.317 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.404 -24.343 -3.864 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.927 -25.957 -3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.284 -24.901 -5.936 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.319 -26.150 -5.271 1.00 0.00 H new ATOM 335 N LEU A 21 -4.834 -21.416 -2.623 1.00 0.00 N ATOM 336 CA LEU A 21 -4.403 -19.984 -2.570 1.00 0.00 C ATOM 337 C LEU A 21 -3.330 -19.795 -1.486 1.00 0.00 C ATOM 338 O LEU A 21 -3.644 -19.736 -0.311 1.00 0.00 O ATOM 339 CB LEU A 21 -5.672 -19.199 -2.220 1.00 0.00 C ATOM 340 CG LEU A 21 -6.664 -19.269 -3.386 1.00 0.00 C ATOM 341 CD1 LEU A 21 -8.058 -18.872 -2.895 1.00 0.00 C ATOM 342 CD2 LEU A 21 -6.220 -18.311 -4.497 1.00 0.00 C ATOM 0 H LEU A 21 -5.193 -21.791 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.966 -19.647 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.127 -19.609 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.421 -18.160 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.693 -20.286 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.764 -18.922 -3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.375 -19.556 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.030 -17.855 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.927 -18.362 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.189 -17.293 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.228 -18.596 -4.848 1.00 0.00 H new ATOM 354 N PRO A 22 -2.091 -19.714 -1.918 1.00 0.00 N ATOM 355 CA PRO A 22 -0.960 -19.540 -0.970 1.00 0.00 C ATOM 356 C PRO A 22 -0.929 -18.111 -0.405 1.00 0.00 C ATOM 357 O PRO A 22 -0.650 -17.160 -1.113 1.00 0.00 O ATOM 358 CB PRO A 22 0.273 -19.815 -1.828 1.00 0.00 C ATOM 359 CG PRO A 22 -0.153 -19.513 -3.231 1.00 0.00 C ATOM 360 CD PRO A 22 -1.634 -19.777 -3.314 1.00 0.00 C ATOM 0 HA PRO A 22 -1.029 -20.198 -0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.111 -19.187 -1.527 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.599 -20.850 -1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.068 -18.476 -3.485 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.389 -20.138 -3.941 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.137 -19.033 -3.932 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.841 -20.751 -3.757 1.00 0.00 H new ATOM 368 N GLY A 23 -1.210 -17.960 0.866 1.00 0.00 N ATOM 369 CA GLY A 23 -1.196 -16.602 1.491 1.00 0.00 C ATOM 370 C GLY A 23 -2.407 -15.793 1.020 1.00 0.00 C ATOM 371 O GLY A 23 -2.274 -14.664 0.586 1.00 0.00 O ATOM 0 H GLY A 23 -1.449 -18.723 1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.210 -16.693 2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.276 -16.081 1.227 1.00 0.00 H new ATOM 375 N GLY A 24 -3.587 -16.359 1.102 1.00 0.00 N ATOM 376 CA GLY A 24 -4.807 -15.620 0.660 1.00 0.00 C ATOM 377 C GLY A 24 -4.953 -15.715 -0.863 1.00 0.00 C ATOM 378 O GLY A 24 -4.082 -16.232 -1.540 1.00 0.00 O ATOM 0 H GLY A 24 -3.756 -17.301 1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.690 -16.036 1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.739 -14.575 0.963 1.00 0.00 H new ATOM 382 N PRO A 25 -6.057 -15.205 -1.354 1.00 0.00 N ATOM 383 CA PRO A 25 -6.325 -15.224 -2.816 1.00 0.00 C ATOM 384 C PRO A 25 -5.387 -14.255 -3.549 1.00 0.00 C ATOM 385 O PRO A 25 -5.267 -13.099 -3.184 1.00 0.00 O ATOM 386 CB PRO A 25 -7.777 -14.765 -2.921 1.00 0.00 C ATOM 387 CG PRO A 25 -8.017 -13.968 -1.678 1.00 0.00 C ATOM 388 CD PRO A 25 -7.150 -14.571 -0.606 1.00 0.00 C ATOM 0 HA PRO A 25 -6.160 -16.202 -3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.938 -14.162 -3.815 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.457 -15.615 -2.983 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.765 -12.919 -1.836 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.068 -14.004 -1.392 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.777 -13.811 0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.700 -15.298 -0.009 1.00 0.00 H new ATOM 396 N ILE A 26 -4.724 -14.722 -4.580 1.00 0.00 N ATOM 397 CA ILE A 26 -3.793 -13.834 -5.346 1.00 0.00 C ATOM 398 C ILE A 26 -4.552 -12.611 -5.873 1.00 0.00 C ATOM 399 O ILE A 26 -5.694 -12.708 -6.284 1.00 0.00 O ATOM 400 CB ILE A 26 -3.269 -14.689 -6.508 1.00 0.00 C ATOM 401 CG1 ILE A 26 -2.464 -15.875 -5.958 1.00 0.00 C ATOM 402 CG2 ILE A 26 -2.363 -13.839 -7.404 1.00 0.00 C ATOM 403 CD1 ILE A 26 -3.024 -17.182 -6.528 1.00 0.00 C ATOM 0 H ILE A 26 -4.787 -15.680 -4.924 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.977 -13.463 -4.726 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.115 -15.060 -7.087 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.413 -15.770 -6.226 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.515 -15.889 -4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.992 -14.448 -8.228 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.930 -12.997 -7.801 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.521 -13.466 -6.821 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.452 -18.024 -6.137 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.069 -17.287 -6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.949 -17.166 -7.615 1.00 0.00 H new ATOM 415 N GLY A 27 -3.927 -11.464 -5.854 1.00 0.00 N ATOM 416 CA GLY A 27 -4.603 -10.226 -6.340 1.00 0.00 C ATOM 417 C GLY A 27 -5.312 -9.539 -5.164 1.00 0.00 C ATOM 418 O GLY A 27 -6.005 -10.184 -4.400 1.00 0.00 O ATOM 0 H GLY A 27 -2.972 -11.331 -5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.873 -9.550 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.324 -10.474 -7.119 1.00 0.00 H new ATOM 422 N PRO A 28 -5.109 -8.245 -5.054 1.00 0.00 N ATOM 423 CA PRO A 28 -5.735 -7.463 -3.953 1.00 0.00 C ATOM 424 C PRO A 28 -7.249 -7.302 -4.173 1.00 0.00 C ATOM 425 O PRO A 28 -8.002 -7.143 -3.229 1.00 0.00 O ATOM 426 CB PRO A 28 -5.029 -6.111 -4.029 1.00 0.00 C ATOM 427 CG PRO A 28 -4.557 -5.998 -5.443 1.00 0.00 C ATOM 428 CD PRO A 28 -4.289 -7.398 -5.932 1.00 0.00 C ATOM 0 HA PRO A 28 -5.630 -7.947 -2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.707 -5.297 -3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.194 -6.062 -3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.310 -5.511 -6.063 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.654 -5.390 -5.501 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.572 -7.516 -6.978 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.232 -7.651 -5.857 1.00 0.00 H new ATOM 436 N TYR A 29 -7.698 -7.334 -5.404 1.00 0.00 N ATOM 437 CA TYR A 29 -9.160 -7.177 -5.680 1.00 0.00 C ATOM 438 C TYR A 29 -9.895 -8.506 -5.441 1.00 0.00 C ATOM 439 O TYR A 29 -10.423 -9.109 -6.356 1.00 0.00 O ATOM 440 CB TYR A 29 -9.244 -6.769 -7.154 1.00 0.00 C ATOM 441 CG TYR A 29 -10.455 -5.893 -7.373 1.00 0.00 C ATOM 442 CD1 TYR A 29 -11.689 -6.471 -7.694 1.00 0.00 C ATOM 443 CD2 TYR A 29 -10.341 -4.501 -7.264 1.00 0.00 C ATOM 444 CE1 TYR A 29 -12.808 -5.659 -7.904 1.00 0.00 C ATOM 445 CE2 TYR A 29 -11.460 -3.689 -7.477 1.00 0.00 C ATOM 446 CZ TYR A 29 -12.694 -4.267 -7.796 1.00 0.00 C ATOM 447 OH TYR A 29 -13.797 -3.465 -8.007 1.00 0.00 O ATOM 0 H TYR A 29 -7.114 -7.462 -6.231 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.626 -6.439 -5.027 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.340 -6.235 -7.445 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.307 -7.656 -7.784 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.777 -7.544 -7.779 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.389 -4.055 -7.016 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.760 -6.105 -8.150 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.372 -2.616 -7.395 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.567 -2.752 -8.639 1.00 0.00 H new ATOM 457 N ASN A 30 -9.930 -8.964 -4.215 1.00 0.00 N ATOM 458 CA ASN A 30 -10.626 -10.251 -3.914 1.00 0.00 C ATOM 459 C ASN A 30 -11.537 -10.104 -2.688 1.00 0.00 C ATOM 460 O ASN A 30 -11.627 -10.992 -1.859 1.00 0.00 O ATOM 461 CB ASN A 30 -9.500 -11.256 -3.645 1.00 0.00 C ATOM 462 CG ASN A 30 -9.344 -12.181 -4.853 1.00 0.00 C ATOM 463 OD1 ASN A 30 -8.529 -11.936 -5.719 1.00 0.00 O ATOM 464 ND2 ASN A 30 -10.097 -13.243 -4.950 1.00 0.00 N ATOM 0 H ASN A 30 -9.507 -8.502 -3.410 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.269 -10.571 -4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.565 -10.729 -3.454 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.725 -11.840 -2.753 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.000 -13.865 -5.752 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.782 -13.450 -4.223 1.00 0.00 H new ATOM 471 N GLY A 31 -12.221 -8.992 -2.569 1.00 0.00 N ATOM 472 CA GLY A 31 -13.128 -8.793 -1.401 1.00 0.00 C ATOM 473 C GLY A 31 -13.732 -7.383 -1.420 1.00 0.00 C ATOM 474 O GLY A 31 -13.786 -6.717 -0.403 1.00 0.00 O ATOM 0 H GLY A 31 -12.189 -8.216 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.925 -9.536 -1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.575 -8.945 -0.474 1.00 0.00 H new ATOM 478 N CYS A 32 -14.196 -6.925 -2.561 1.00 0.00 N ATOM 479 CA CYS A 32 -14.804 -5.559 -2.636 1.00 0.00 C ATOM 480 C CYS A 32 -15.438 -5.328 -4.017 1.00 0.00 C ATOM 481 O CYS A 32 -14.862 -4.665 -4.861 1.00 0.00 O ATOM 482 CB CYS A 32 -13.650 -4.581 -2.407 1.00 0.00 C ATOM 483 SG CYS A 32 -14.293 -2.889 -2.424 1.00 0.00 S ATOM 0 H CYS A 32 -14.179 -7.439 -3.442 1.00 0.00 H new ATOM 0 HA CYS A 32 -15.595 -5.429 -1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -13.165 -4.789 -1.453 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.894 -4.704 -3.183 1.00 0.00 H new ATOM 488 N PRO A 33 -16.611 -5.883 -4.198 1.00 0.00 N ATOM 489 CA PRO A 33 -17.340 -5.731 -5.487 1.00 0.00 C ATOM 490 C PRO A 33 -17.810 -4.279 -5.674 1.00 0.00 C ATOM 491 O PRO A 33 -18.161 -3.605 -4.724 1.00 0.00 O ATOM 492 CB PRO A 33 -18.528 -6.683 -5.339 1.00 0.00 C ATOM 493 CG PRO A 33 -18.728 -6.817 -3.863 1.00 0.00 C ATOM 494 CD PRO A 33 -17.364 -6.700 -3.236 1.00 0.00 C ATOM 0 HA PRO A 33 -16.726 -5.959 -6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.418 -6.283 -5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.321 -7.649 -5.800 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -19.395 -6.040 -3.489 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -19.187 -7.775 -3.619 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -17.412 -6.224 -2.257 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.903 -7.677 -3.093 1.00 0.00 H new ATOM 502 N VAL A 34 -17.817 -3.798 -6.896 1.00 0.00 N ATOM 503 CA VAL A 34 -18.262 -2.388 -7.160 1.00 0.00 C ATOM 504 C VAL A 34 -19.732 -2.198 -6.750 1.00 0.00 C ATOM 505 O VAL A 34 -20.134 -1.122 -6.347 1.00 0.00 O ATOM 506 CB VAL A 34 -18.094 -2.189 -8.674 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.711 -0.851 -9.094 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.605 -2.187 -9.030 1.00 0.00 C ATOM 0 H VAL A 34 -17.533 -4.321 -7.724 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.682 -1.665 -6.587 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.597 -3.003 -9.197 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.589 -0.715 -10.169 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.772 -0.846 -8.846 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -18.211 -0.038 -8.567 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.488 -2.046 -10.104 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -16.105 -1.376 -8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.160 -3.138 -8.739 1.00 0.00 H new ATOM 518 N SER A 35 -20.533 -3.237 -6.848 1.00 0.00 N ATOM 519 CA SER A 35 -21.979 -3.125 -6.464 1.00 0.00 C ATOM 520 C SER A 35 -22.141 -2.930 -4.946 1.00 0.00 C ATOM 521 O SER A 35 -23.224 -2.637 -4.473 1.00 0.00 O ATOM 522 CB SER A 35 -22.610 -4.450 -6.900 1.00 0.00 C ATOM 523 OG SER A 35 -24.026 -4.313 -6.926 1.00 0.00 O ATOM 0 H SER A 35 -20.246 -4.159 -7.178 1.00 0.00 H new ATOM 0 HA SER A 35 -22.452 -2.264 -6.936 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.243 -4.733 -7.886 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.323 -5.246 -6.213 1.00 0.00 H new ATOM 0 HG SER A 35 -24.432 -5.160 -7.206 1.00 0.00 H new ATOM 529 N CYS A 36 -21.079 -3.091 -4.181 1.00 0.00 N ATOM 530 CA CYS A 36 -21.161 -2.919 -2.693 1.00 0.00 C ATOM 531 C CYS A 36 -22.173 -3.898 -2.081 1.00 0.00 C ATOM 532 O CYS A 36 -22.748 -3.640 -1.039 1.00 0.00 O ATOM 533 CB CYS A 36 -21.591 -1.464 -2.469 1.00 0.00 C ATOM 534 SG CYS A 36 -20.311 -0.362 -3.116 1.00 0.00 S ATOM 0 H CYS A 36 -20.153 -3.336 -4.530 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.207 -3.131 -2.211 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.541 -1.271 -2.968 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.746 -1.277 -1.406 1.00 0.00 H new ATOM 539 N ARG A 37 -22.382 -5.026 -2.715 1.00 0.00 N ATOM 540 CA ARG A 37 -23.342 -6.031 -2.173 1.00 0.00 C ATOM 541 C ARG A 37 -22.580 -7.246 -1.631 1.00 0.00 C ATOM 542 O ARG A 37 -21.508 -7.579 -2.102 1.00 0.00 O ATOM 543 CB ARG A 37 -24.221 -6.437 -3.360 1.00 0.00 C ATOM 544 CG ARG A 37 -25.220 -5.318 -3.671 1.00 0.00 C ATOM 545 CD ARG A 37 -26.529 -5.574 -2.916 1.00 0.00 C ATOM 546 NE ARG A 37 -27.237 -4.262 -2.915 1.00 0.00 N ATOM 547 CZ ARG A 37 -28.241 -4.059 -3.728 1.00 0.00 C ATOM 548 NH1 ARG A 37 -29.443 -4.446 -3.389 1.00 0.00 N ATOM 549 NH2 ARG A 37 -28.039 -3.469 -4.878 1.00 0.00 N ATOM 0 H ARG A 37 -21.926 -5.293 -3.588 1.00 0.00 H new ATOM 0 HA ARG A 37 -23.935 -5.629 -1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -23.600 -6.636 -4.233 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -24.754 -7.360 -3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -24.803 -4.354 -3.381 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -25.410 -5.273 -4.743 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -27.124 -6.343 -3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -26.338 -5.920 -1.900 1.00 0.00 H new ATOM 0 HE ARG A 37 -26.938 -3.522 -2.280 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -29.597 -4.906 -2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -30.227 -4.288 -4.022 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -27.100 -3.168 -5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -28.821 -3.310 -5.514 1.00 0.00 H new ATOM 563 N GLY A 38 -23.130 -7.908 -0.644 1.00 0.00 N ATOM 564 CA GLY A 38 -22.453 -9.108 -0.062 1.00 0.00 C ATOM 565 C GLY A 38 -21.276 -8.685 0.833 1.00 0.00 C ATOM 566 O GLY A 38 -20.358 -9.452 1.053 1.00 0.00 O ATOM 0 H GLY A 38 -24.023 -7.668 -0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -23.168 -9.689 0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.094 -9.754 -0.863 1.00 0.00 H new ATOM 570 N ILE A 39 -21.295 -7.483 1.360 1.00 0.00 N ATOM 571 CA ILE A 39 -20.177 -7.031 2.243 1.00 0.00 C ATOM 572 C ILE A 39 -20.733 -6.357 3.500 1.00 0.00 C ATOM 573 O ILE A 39 -21.850 -5.873 3.519 1.00 0.00 O ATOM 574 CB ILE A 39 -19.351 -6.030 1.417 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.192 -4.779 1.116 1.00 0.00 C ATOM 576 CG2 ILE A 39 -18.909 -6.682 0.104 1.00 0.00 C ATOM 577 CD1 ILE A 39 -19.386 -3.809 0.245 1.00 0.00 C ATOM 0 H ILE A 39 -22.036 -6.798 1.216 1.00 0.00 H new ATOM 0 HA ILE A 39 -19.565 -7.872 2.570 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.470 -5.739 1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.112 -5.062 0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.482 -4.292 2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -18.324 -5.969 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.300 -7.560 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -19.788 -6.982 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.987 -2.924 0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.479 -3.515 0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.119 -4.297 -0.692 1.00 0.00 H new ATOM 589 N SER A 40 -19.953 -6.320 4.545 1.00 0.00 N ATOM 590 CA SER A 40 -20.413 -5.673 5.807 1.00 0.00 C ATOM 591 C SER A 40 -20.231 -4.157 5.699 1.00 0.00 C ATOM 592 O SER A 40 -19.489 -3.674 4.864 1.00 0.00 O ATOM 593 CB SER A 40 -19.512 -6.241 6.911 1.00 0.00 C ATOM 594 OG SER A 40 -19.107 -7.563 6.573 1.00 0.00 O ATOM 0 H SER A 40 -19.012 -6.712 4.580 1.00 0.00 H new ATOM 0 HA SER A 40 -21.466 -5.866 6.012 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.636 -5.605 7.041 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.046 -6.247 7.861 1.00 0.00 H new ATOM 0 HG SER A 40 -18.531 -7.920 7.281 1.00 0.00 H new ATOM 600 N PHE A 41 -20.895 -3.403 6.540 1.00 0.00 N ATOM 601 CA PHE A 41 -20.751 -1.915 6.490 1.00 0.00 C ATOM 602 C PHE A 41 -19.276 -1.530 6.658 1.00 0.00 C ATOM 603 O PHE A 41 -18.734 -0.769 5.880 1.00 0.00 O ATOM 604 CB PHE A 41 -21.585 -1.388 7.664 1.00 0.00 C ATOM 605 CG PHE A 41 -21.537 0.124 7.688 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.280 0.864 6.760 1.00 0.00 C ATOM 607 CD2 PHE A 41 -20.747 0.783 8.637 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.232 2.263 6.783 1.00 0.00 C ATOM 609 CE2 PHE A 41 -20.700 2.181 8.660 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.443 2.922 7.732 1.00 0.00 C ATOM 0 H PHE A 41 -21.530 -3.753 7.258 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.087 -1.497 5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.617 -1.727 7.570 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -21.202 -1.788 8.603 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -22.889 0.356 6.027 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.173 0.212 9.352 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.805 2.834 6.067 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.091 2.689 9.393 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.407 4.001 7.749 1.00 0.00 H new ATOM 620 N SER A 42 -18.624 -2.066 7.661 1.00 0.00 N ATOM 621 CA SER A 42 -17.179 -1.747 7.880 1.00 0.00 C ATOM 622 C SER A 42 -16.340 -2.264 6.705 1.00 0.00 C ATOM 623 O SER A 42 -15.350 -1.663 6.330 1.00 0.00 O ATOM 624 CB SER A 42 -16.790 -2.467 9.171 1.00 0.00 C ATOM 625 OG SER A 42 -15.723 -1.763 9.796 1.00 0.00 O ATOM 0 H SER A 42 -19.031 -2.711 8.338 1.00 0.00 H new ATOM 0 HA SER A 42 -17.006 -0.673 7.951 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.647 -2.523 9.842 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.488 -3.491 8.953 1.00 0.00 H new ATOM 0 HG SER A 42 -15.471 -2.220 10.625 1.00 0.00 H new ATOM 631 N GLN A 43 -16.735 -3.366 6.111 1.00 0.00 N ATOM 632 CA GLN A 43 -15.968 -3.906 4.950 1.00 0.00 C ATOM 633 C GLN A 43 -16.064 -2.929 3.776 1.00 0.00 C ATOM 634 O GLN A 43 -15.083 -2.644 3.113 1.00 0.00 O ATOM 635 CB GLN A 43 -16.645 -5.237 4.605 1.00 0.00 C ATOM 636 CG GLN A 43 -15.586 -6.276 4.232 1.00 0.00 C ATOM 637 CD GLN A 43 -16.135 -7.677 4.507 1.00 0.00 C ATOM 638 OE1 GLN A 43 -16.832 -8.240 3.687 1.00 0.00 O ATOM 639 NE2 GLN A 43 -15.852 -8.268 5.636 1.00 0.00 N ATOM 0 H GLN A 43 -17.554 -3.911 6.381 1.00 0.00 H new ATOM 0 HA GLN A 43 -14.910 -4.043 5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.230 -5.589 5.455 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.339 -5.098 3.776 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.318 -6.178 3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.677 -6.109 4.810 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.267 -7.797 6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -16.216 -9.201 5.828 1.00 0.00 H new ATOM 648 N ALA A 44 -17.239 -2.402 3.529 1.00 0.00 N ATOM 649 CA ALA A 44 -17.411 -1.427 2.410 1.00 0.00 C ATOM 650 C ALA A 44 -16.708 -0.107 2.756 1.00 0.00 C ATOM 651 O ALA A 44 -16.132 0.543 1.903 1.00 0.00 O ATOM 652 CB ALA A 44 -18.924 -1.224 2.287 1.00 0.00 C ATOM 0 H ALA A 44 -18.088 -2.607 4.056 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.977 -1.782 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.132 -0.518 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.402 -2.178 2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.316 -0.831 3.225 1.00 0.00 H new ATOM 658 N ARG A 45 -16.744 0.280 4.011 1.00 0.00 N ATOM 659 CA ARG A 45 -16.074 1.545 4.440 1.00 0.00 C ATOM 660 C ARG A 45 -14.552 1.406 4.313 1.00 0.00 C ATOM 661 O ARG A 45 -13.869 2.325 3.900 1.00 0.00 O ATOM 662 CB ARG A 45 -16.474 1.725 5.908 1.00 0.00 C ATOM 663 CG ARG A 45 -16.104 3.136 6.377 1.00 0.00 C ATOM 664 CD ARG A 45 -16.654 3.364 7.789 1.00 0.00 C ATOM 665 NE ARG A 45 -15.800 4.440 8.371 1.00 0.00 N ATOM 666 CZ ARG A 45 -15.418 4.369 9.619 1.00 0.00 C ATOM 667 NH1 ARG A 45 -16.165 4.887 10.559 1.00 0.00 N ATOM 668 NH2 ARG A 45 -14.292 3.780 9.926 1.00 0.00 N ATOM 0 H ARG A 45 -17.213 -0.232 4.759 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.368 2.398 3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.545 1.562 6.025 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.969 0.982 6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.021 3.260 6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.513 3.878 5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.701 3.665 7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.600 2.453 8.385 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.514 5.232 7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.044 5.345 10.318 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -15.869 4.833 11.534 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.711 3.376 9.191 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.994 3.725 10.900 1.00 0.00 H new ATOM 682 N SER A 46 -14.021 0.261 4.669 1.00 0.00 N ATOM 683 CA SER A 46 -12.542 0.051 4.577 1.00 0.00 C ATOM 684 C SER A 46 -12.079 0.070 3.114 1.00 0.00 C ATOM 685 O SER A 46 -11.010 0.562 2.805 1.00 0.00 O ATOM 686 CB SER A 46 -12.292 -1.325 5.201 1.00 0.00 C ATOM 687 OG SER A 46 -10.903 -1.477 5.472 1.00 0.00 O ATOM 0 H SER A 46 -14.549 -0.538 5.020 1.00 0.00 H new ATOM 0 HA SER A 46 -11.989 0.839 5.089 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.867 -1.429 6.121 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.630 -2.110 4.524 1.00 0.00 H new ATOM 0 HG SER A 46 -10.742 -2.357 5.873 1.00 0.00 H new ATOM 693 N CYS A 47 -12.869 -0.467 2.211 1.00 0.00 N ATOM 694 CA CYS A 47 -12.462 -0.485 0.771 1.00 0.00 C ATOM 695 C CYS A 47 -12.553 0.914 0.148 1.00 0.00 C ATOM 696 O CYS A 47 -11.791 1.245 -0.739 1.00 0.00 O ATOM 697 CB CYS A 47 -13.436 -1.437 0.079 1.00 0.00 C ATOM 698 SG CYS A 47 -12.822 -1.800 -1.582 1.00 0.00 S ATOM 0 H CYS A 47 -13.775 -0.892 2.410 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.426 -0.807 0.661 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.535 -2.358 0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.427 -0.987 0.024 1.00 0.00 H new ATOM 703 N CYS A 48 -13.469 1.738 0.598 1.00 0.00 N ATOM 704 CA CYS A 48 -13.581 3.114 0.015 1.00 0.00 C ATOM 705 C CYS A 48 -12.260 3.871 0.195 1.00 0.00 C ATOM 706 O CYS A 48 -11.791 4.540 -0.704 1.00 0.00 O ATOM 707 CB CYS A 48 -14.700 3.801 0.798 1.00 0.00 C ATOM 708 SG CYS A 48 -14.790 5.549 0.329 1.00 0.00 S ATOM 0 H CYS A 48 -14.138 1.521 1.337 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.795 3.088 -1.053 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.652 3.311 0.596 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.516 3.711 1.869 1.00 0.00 H new ATOM 713 N SER A 49 -11.658 3.766 1.352 1.00 0.00 N ATOM 714 CA SER A 49 -10.366 4.474 1.592 1.00 0.00 C ATOM 715 C SER A 49 -9.181 3.640 1.086 1.00 0.00 C ATOM 716 O SER A 49 -8.130 4.171 0.784 1.00 0.00 O ATOM 717 CB SER A 49 -10.287 4.651 3.109 1.00 0.00 C ATOM 718 OG SER A 49 -9.174 5.475 3.429 1.00 0.00 O ATOM 0 H SER A 49 -12.006 3.220 2.141 1.00 0.00 H new ATOM 0 HA SER A 49 -10.322 5.426 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.207 5.101 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.187 3.681 3.595 1.00 0.00 H new ATOM 0 HG SER A 49 -9.122 5.591 4.401 1.00 0.00 H new ATOM 724 N ARG A 50 -9.336 2.341 0.998 1.00 0.00 N ATOM 725 CA ARG A 50 -8.208 1.481 0.523 1.00 0.00 C ATOM 726 C ARG A 50 -8.141 1.438 -1.011 1.00 0.00 C ATOM 727 O ARG A 50 -7.073 1.309 -1.577 1.00 0.00 O ATOM 728 CB ARG A 50 -8.504 0.086 1.082 1.00 0.00 C ATOM 729 CG ARG A 50 -7.198 -0.707 1.202 1.00 0.00 C ATOM 730 CD ARG A 50 -6.550 -0.427 2.563 1.00 0.00 C ATOM 731 NE ARG A 50 -7.056 -1.502 3.462 1.00 0.00 N ATOM 732 CZ ARG A 50 -6.254 -2.455 3.857 1.00 0.00 C ATOM 733 NH1 ARG A 50 -5.966 -3.443 3.050 1.00 0.00 N ATOM 734 NH2 ARG A 50 -5.743 -2.417 5.059 1.00 0.00 N ATOM 0 H ARG A 50 -10.193 1.841 1.234 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.246 1.868 0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.982 0.168 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -9.201 -0.438 0.428 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.397 -1.773 1.095 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.516 -0.428 0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.462 -0.450 2.494 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.825 0.560 2.935 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.029 -1.494 3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.367 -3.469 2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.340 -4.187 3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.971 -1.645 5.686 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.117 -3.159 5.371 1.00 0.00 H new ATOM 748 N LEU A 51 -9.263 1.526 -1.688 1.00 0.00 N ATOM 749 CA LEU A 51 -9.234 1.466 -3.186 1.00 0.00 C ATOM 750 C LEU A 51 -10.265 2.412 -3.826 1.00 0.00 C ATOM 751 O LEU A 51 -10.533 2.320 -5.010 1.00 0.00 O ATOM 752 CB LEU A 51 -9.574 0.010 -3.519 1.00 0.00 C ATOM 753 CG LEU A 51 -8.301 -0.730 -3.940 1.00 0.00 C ATOM 754 CD1 LEU A 51 -8.407 -2.200 -3.529 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.134 -0.637 -5.459 1.00 0.00 C ATOM 0 H LEU A 51 -10.188 1.636 -1.273 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.265 1.780 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.021 -0.477 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.311 -0.028 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.439 -0.276 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.501 -2.728 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.526 -2.268 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.269 -2.653 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.228 -1.164 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.996 -1.091 -5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.059 0.410 -5.753 1.00 0.00 H new ATOM 767 N GLY A 52 -10.845 3.314 -3.070 1.00 0.00 N ATOM 768 CA GLY A 52 -11.854 4.249 -3.661 1.00 0.00 C ATOM 769 C GLY A 52 -13.066 3.453 -4.167 1.00 0.00 C ATOM 770 O GLY A 52 -13.708 3.835 -5.126 1.00 0.00 O ATOM 0 H GLY A 52 -10.664 3.443 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.171 4.976 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.407 4.810 -4.482 1.00 0.00 H new ATOM 774 N ARG A 53 -13.378 2.348 -3.532 1.00 0.00 N ATOM 775 CA ARG A 53 -14.542 1.524 -3.977 1.00 0.00 C ATOM 776 C ARG A 53 -15.592 1.438 -2.867 1.00 0.00 C ATOM 777 O ARG A 53 -15.268 1.315 -1.701 1.00 0.00 O ATOM 778 CB ARG A 53 -13.967 0.138 -4.272 1.00 0.00 C ATOM 779 CG ARG A 53 -13.414 0.098 -5.701 1.00 0.00 C ATOM 780 CD ARG A 53 -14.526 -0.308 -6.674 1.00 0.00 C ATOM 781 NE ARG A 53 -14.118 0.273 -7.986 1.00 0.00 N ATOM 782 CZ ARG A 53 -14.940 1.046 -8.649 1.00 0.00 C ATOM 783 NH1 ARG A 53 -15.440 2.112 -8.080 1.00 0.00 N ATOM 784 NH2 ARG A 53 -15.255 0.752 -9.884 1.00 0.00 N ATOM 0 H ARG A 53 -12.875 1.982 -2.724 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.034 1.955 -4.849 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.176 -0.097 -3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.741 -0.620 -4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.017 1.075 -5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.588 -0.610 -5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.622 -1.392 -6.735 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.493 0.080 -6.353 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.195 0.067 -8.368 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.189 2.342 -7.118 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.081 2.714 -8.598 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.860 -0.078 -10.327 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.895 1.352 -10.404 1.00 0.00 H new ATOM 798 N CYS A 54 -16.849 1.516 -3.234 1.00 0.00 N ATOM 799 CA CYS A 54 -17.960 1.455 -2.231 1.00 0.00 C ATOM 800 C CYS A 54 -17.846 2.642 -1.278 1.00 0.00 C ATOM 801 O CYS A 54 -17.774 2.496 -0.071 1.00 0.00 O ATOM 802 CB CYS A 54 -17.802 0.118 -1.498 1.00 0.00 C ATOM 803 SG CYS A 54 -18.582 -1.189 -2.474 1.00 0.00 S ATOM 0 H CYS A 54 -17.157 1.621 -4.201 1.00 0.00 H new ATOM 0 HA CYS A 54 -18.945 1.513 -2.695 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.746 -0.105 -1.347 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.260 0.174 -0.511 1.00 0.00 H new ATOM 808 N CYS A 55 -17.816 3.819 -1.836 1.00 0.00 N ATOM 809 CA CYS A 55 -17.689 5.054 -1.018 1.00 0.00 C ATOM 810 C CYS A 55 -19.063 5.690 -0.743 1.00 0.00 C ATOM 811 O CYS A 55 -19.196 6.511 0.145 1.00 0.00 O ATOM 812 CB CYS A 55 -16.821 5.977 -1.874 1.00 0.00 C ATOM 813 SG CYS A 55 -15.080 5.523 -1.671 1.00 0.00 S ATOM 0 H CYS A 55 -17.875 3.979 -2.842 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.256 4.858 -0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.109 5.897 -2.922 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.974 7.015 -1.580 1.00 0.00 H new ATOM 818 N HIS A 56 -20.085 5.317 -1.482 1.00 0.00 N ATOM 819 CA HIS A 56 -21.438 5.902 -1.244 1.00 0.00 C ATOM 820 C HIS A 56 -22.395 4.825 -0.711 1.00 0.00 C ATOM 821 O HIS A 56 -23.542 4.741 -1.113 1.00 0.00 O ATOM 822 CB HIS A 56 -21.900 6.416 -2.612 1.00 0.00 C ATOM 823 CG HIS A 56 -22.764 7.636 -2.428 1.00 0.00 C ATOM 824 ND1 HIS A 56 -22.359 8.897 -2.835 1.00 0.00 N ATOM 825 CD2 HIS A 56 -24.015 7.802 -1.884 1.00 0.00 C ATOM 826 CE1 HIS A 56 -23.348 9.758 -2.533 1.00 0.00 C ATOM 827 NE2 HIS A 56 -24.381 9.142 -1.951 1.00 0.00 N ATOM 0 H HIS A 56 -20.036 4.633 -2.237 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.419 6.700 -0.502 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -21.036 6.660 -3.231 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.457 5.639 -3.135 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -24.622 7.012 -1.468 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -23.311 10.818 -2.736 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -25.251 9.564 -1.626 1.00 0.00 H new ATOM 835 N VAL A 57 -21.928 4.003 0.196 1.00 0.00 N ATOM 836 CA VAL A 57 -22.804 2.931 0.766 1.00 0.00 C ATOM 837 C VAL A 57 -23.669 3.507 1.896 1.00 0.00 C ATOM 838 O VAL A 57 -23.162 4.030 2.872 1.00 0.00 O ATOM 839 CB VAL A 57 -21.843 1.865 1.309 1.00 0.00 C ATOM 840 CG1 VAL A 57 -22.641 0.719 1.936 1.00 0.00 C ATOM 841 CG2 VAL A 57 -20.988 1.314 0.166 1.00 0.00 C ATOM 0 H VAL A 57 -20.978 4.027 0.567 1.00 0.00 H new ATOM 0 HA VAL A 57 -23.484 2.515 0.022 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.200 2.317 2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -21.954 -0.035 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.250 1.105 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.288 0.270 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.306 0.557 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.635 0.867 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.413 2.125 -0.282 1.00 0.00 H new ATOM 851 N GLY A 58 -24.969 3.418 1.768 1.00 0.00 N ATOM 852 CA GLY A 58 -25.871 3.963 2.827 1.00 0.00 C ATOM 853 C GLY A 58 -26.196 5.425 2.508 1.00 0.00 C ATOM 854 O GLY A 58 -25.318 6.198 2.174 1.00 0.00 O ATOM 0 H GLY A 58 -25.445 2.990 0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -26.788 3.377 2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.392 3.889 3.803 1.00 0.00 H new ATOM 858 N LYS A 59 -27.453 5.802 2.608 1.00 0.00 N ATOM 859 CA LYS A 59 -27.868 7.216 2.304 1.00 0.00 C ATOM 860 C LYS A 59 -27.578 7.551 0.833 1.00 0.00 C ATOM 861 O LYS A 59 -26.448 7.790 0.448 1.00 0.00 O ATOM 862 CB LYS A 59 -27.040 8.103 3.243 1.00 0.00 C ATOM 863 CG LYS A 59 -27.742 9.452 3.421 1.00 0.00 C ATOM 864 CD LYS A 59 -26.776 10.454 4.062 1.00 0.00 C ATOM 865 CE LYS A 59 -27.383 10.999 5.360 1.00 0.00 C ATOM 866 NZ LYS A 59 -28.387 12.016 4.929 1.00 0.00 N ATOM 0 H LYS A 59 -28.216 5.186 2.889 1.00 0.00 H new ATOM 0 HA LYS A 59 -28.936 7.369 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -26.918 7.614 4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -26.041 8.252 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -28.082 9.826 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -28.627 9.333 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -25.821 9.971 4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -26.575 11.273 3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -27.852 10.204 5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -26.618 11.446 5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -28.088 12.958 5.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -28.460 12.014 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -29.314 11.786 5.341 1.00 0.00 H new ATOM 880 N GLY A 60 -28.594 7.563 0.003 1.00 0.00 N ATOM 881 CA GLY A 60 -28.380 7.870 -1.442 1.00 0.00 C ATOM 882 C GLY A 60 -28.119 6.565 -2.204 1.00 0.00 C ATOM 883 O GLY A 60 -28.181 5.486 -1.641 1.00 0.00 O ATOM 0 H GLY A 60 -29.561 7.373 0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -29.255 8.375 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -27.535 8.549 -1.560 1.00 0.00 H new ATOM 887 N TYR A 61 -27.832 6.654 -3.478 1.00 0.00 N ATOM 888 CA TYR A 61 -27.570 5.419 -4.276 1.00 0.00 C ATOM 889 C TYR A 61 -26.167 4.872 -3.976 1.00 0.00 C ATOM 890 O TYR A 61 -25.311 5.574 -3.471 1.00 0.00 O ATOM 891 CB TYR A 61 -27.683 5.851 -5.743 1.00 0.00 C ATOM 892 CG TYR A 61 -27.493 4.649 -6.636 1.00 0.00 C ATOM 893 CD1 TYR A 61 -28.460 3.636 -6.663 1.00 0.00 C ATOM 894 CD2 TYR A 61 -26.342 4.538 -7.424 1.00 0.00 C ATOM 895 CE1 TYR A 61 -28.275 2.514 -7.477 1.00 0.00 C ATOM 896 CE2 TYR A 61 -26.159 3.418 -8.241 1.00 0.00 C ATOM 897 CZ TYR A 61 -27.124 2.405 -8.267 1.00 0.00 C ATOM 898 OH TYR A 61 -26.940 1.299 -9.066 1.00 0.00 O ATOM 0 H TYR A 61 -27.768 7.528 -3.999 1.00 0.00 H new ATOM 0 HA TYR A 61 -28.274 4.622 -4.036 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -28.658 6.303 -5.926 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -26.932 6.608 -5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -29.349 3.721 -6.055 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -25.595 5.318 -7.401 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -29.020 1.732 -7.496 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -25.272 3.335 -8.852 1.00 0.00 H new ATOM 0 HH TYR A 61 -26.091 1.382 -9.549 1.00 0.00 H new ATOM 908 N SER A 62 -25.932 3.621 -4.285 1.00 0.00 N ATOM 909 CA SER A 62 -24.591 3.011 -4.024 1.00 0.00 C ATOM 910 C SER A 62 -23.514 3.688 -4.880 1.00 0.00 C ATOM 911 O SER A 62 -23.792 4.227 -5.935 1.00 0.00 O ATOM 912 CB SER A 62 -24.732 1.538 -4.417 1.00 0.00 C ATOM 913 OG SER A 62 -25.991 1.045 -3.969 1.00 0.00 O ATOM 0 H SER A 62 -26.615 2.993 -4.709 1.00 0.00 H new ATOM 0 HA SER A 62 -24.290 3.130 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 62 -24.651 1.430 -5.499 1.00 0.00 H new ATOM 0 HB3 SER A 62 -23.923 0.954 -3.977 1.00 0.00 H new ATOM 0 HG SER A 62 -26.082 0.103 -4.222 1.00 0.00 H new ATOM 919 N GLY A 63 -22.288 3.658 -4.429 1.00 0.00 N ATOM 920 CA GLY A 63 -21.183 4.294 -5.203 1.00 0.00 C ATOM 921 C GLY A 63 -19.943 3.401 -5.149 1.00 0.00 C ATOM 922 O GLY A 63 -19.850 2.505 -5.968 1.00 0.00 O ATOM 923 OXT GLY A 63 -19.111 3.629 -4.289 1.00 0.00 O ATOM 0 H GLY A 63 -22.004 3.218 -3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -21.490 4.446 -6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -20.955 5.277 -4.791 1.00 0.00 H new TER 927 GLY A 63