USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 47 SER OG : rot -160:sc= 0 USER MOD Set 1.2: A 51 HIS : no HD1:sc= 0 X(o=0,f=0.015) USER MOD Set 2.1: A 6 HIS : no HD1:sc= 0.846 K(o=1.7,f=-1.7!) USER MOD Set 2.2: A 40 THR OG1 : rot 62:sc= 0.895 USER MOD Set 3.1: A 12 CYS SG : rot 180:sc= -0.407 USER MOD Set 3.2: A 15 CYS SG : rot 84:sc= 2.1 USER MOD Set 3.3: A 61 TYR OH : rot -24:sc= -0.58 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -159:sc= -1.06 (180deg=-1.33) USER MOD Single : A 11 THR OG1 : rot 62:sc= 0.442 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 1.87 (180deg=0.7) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -77:sc= 0.241 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 102:sc= 0.854 USER MOD Single : A 57 THR OG1 : rot 72:sc= 0.0233 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 3 3.658 -9.761 -1.725 1.00 0.00 N ATOM 19 CA LEU A 3 2.926 -9.442 -0.503 1.00 0.00 C ATOM 20 C LEU A 3 1.485 -9.052 -0.820 1.00 0.00 C ATOM 21 O LEU A 3 1.206 -8.467 -1.865 1.00 0.00 O ATOM 22 CB LEU A 3 3.631 -8.314 0.260 1.00 0.00 C ATOM 23 CG LEU A 3 5.097 -8.586 0.620 1.00 0.00 C ATOM 24 CD1 LEU A 3 5.703 -7.366 1.300 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.180 -9.805 1.527 1.00 0.00 C ATOM 0 HA LEU A 3 2.906 -10.331 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.584 -7.406 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.078 -8.118 1.179 1.00 0.00 H new ATOM 0 HG LEU A 3 5.663 -8.786 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.744 -7.569 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.653 -6.511 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.147 -7.143 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.222 -9.998 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.611 -9.620 2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.767 -10.671 1.011 1.00 0.00 H new ATOM 37 N SER A 4 0.576 -9.380 0.094 1.00 0.00 N ATOM 38 CA SER A 4 -0.821 -8.986 -0.046 1.00 0.00 C ATOM 39 C SER A 4 -1.336 -8.348 1.241 1.00 0.00 C ATOM 40 O SER A 4 -1.143 -8.881 2.333 1.00 0.00 O ATOM 41 CB SER A 4 -1.668 -10.187 -0.418 1.00 0.00 C ATOM 42 OG SER A 4 -3.024 -9.857 -0.545 1.00 0.00 O ATOM 0 H SER A 4 0.782 -9.916 0.937 1.00 0.00 H new ATOM 0 HA SER A 4 -0.892 -8.246 -0.843 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.308 -10.607 -1.357 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.553 -10.960 0.342 1.00 0.00 H new ATOM 0 HG SER A 4 -3.534 -10.658 -0.787 1.00 0.00 H new ATOM 48 N PHE A 5 -1.994 -7.201 1.102 1.00 0.00 N ATOM 49 CA PHE A 5 -2.528 -6.483 2.253 1.00 0.00 C ATOM 50 C PHE A 5 -3.998 -6.138 2.045 1.00 0.00 C ATOM 51 O PHE A 5 -4.407 -5.745 0.951 1.00 0.00 O ATOM 52 CB PHE A 5 -1.719 -5.211 2.514 1.00 0.00 C ATOM 53 CG PHE A 5 -0.255 -5.460 2.741 1.00 0.00 C ATOM 54 CD1 PHE A 5 0.223 -5.782 4.002 1.00 0.00 C ATOM 55 CD2 PHE A 5 0.649 -5.372 1.692 1.00 0.00 C ATOM 56 CE1 PHE A 5 1.568 -6.010 4.213 1.00 0.00 C ATOM 57 CE2 PHE A 5 1.996 -5.601 1.900 1.00 0.00 C ATOM 58 CZ PHE A 5 2.456 -5.920 3.159 1.00 0.00 C ATOM 0 H PHE A 5 -2.170 -6.750 0.204 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.448 -7.134 3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.836 -4.537 1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.131 -4.702 3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.466 -5.855 4.830 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.296 -5.122 0.702 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.926 -6.259 5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.689 -5.530 1.075 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.509 -6.099 3.321 1.00 0.00 H new ATOM 68 N HIS A 6 -4.791 -6.287 3.101 1.00 0.00 N ATOM 69 CA HIS A 6 -6.193 -5.884 3.069 1.00 0.00 C ATOM 70 C HIS A 6 -6.425 -4.662 3.955 1.00 0.00 C ATOM 71 O HIS A 6 -6.174 -4.699 5.158 1.00 0.00 O ATOM 72 CB HIS A 6 -7.101 -7.035 3.512 1.00 0.00 C ATOM 73 CG HIS A 6 -8.560 -6.702 3.470 1.00 0.00 C ATOM 74 ND1 HIS A 6 -9.264 -6.597 2.289 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.446 -6.448 4.461 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.523 -6.295 2.557 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.659 -6.198 3.866 1.00 0.00 N ATOM 0 H HIS A 6 -4.487 -6.684 3.990 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.442 -5.622 2.041 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.916 -7.898 2.873 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.833 -7.327 4.527 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.238 -6.443 5.521 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.307 -6.152 1.828 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.525 -5.974 4.357 1.00 0.00 H new ATOM 84 N VAL A 7 -6.905 -3.580 3.348 1.00 0.00 N ATOM 85 CA VAL A 7 -7.105 -2.327 4.064 1.00 0.00 C ATOM 86 C VAL A 7 -8.542 -1.837 3.928 1.00 0.00 C ATOM 87 O VAL A 7 -8.959 -1.401 2.856 1.00 0.00 O ATOM 88 CB VAL A 7 -6.147 -1.231 3.561 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.373 0.065 4.324 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.701 -1.681 3.698 1.00 0.00 C ATOM 0 H VAL A 7 -7.162 -3.547 2.362 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.893 -2.527 5.114 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.354 -1.052 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.688 0.828 3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.400 0.399 4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.193 -0.102 5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.039 -0.894 3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.482 -1.888 4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.544 -2.585 3.109 1.00 0.00 H new ATOM 100 N GLU A 8 -9.294 -1.913 5.021 1.00 0.00 N ATOM 101 CA GLU A 8 -10.704 -1.539 5.004 1.00 0.00 C ATOM 102 C GLU A 8 -10.867 -0.048 4.724 1.00 0.00 C ATOM 103 O GLU A 8 -11.865 0.379 4.142 1.00 0.00 O ATOM 104 CB GLU A 8 -11.372 -1.904 6.332 1.00 0.00 C ATOM 105 CG GLU A 8 -11.568 -3.397 6.548 1.00 0.00 C ATOM 106 CD GLU A 8 -12.646 -3.942 5.654 1.00 0.00 C ATOM 107 OE1 GLU A 8 -13.297 -3.164 4.998 1.00 0.00 O ATOM 108 OE2 GLU A 8 -12.745 -5.141 5.538 1.00 0.00 O ATOM 0 H GLU A 8 -8.952 -2.230 5.928 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.191 -2.095 4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.769 -1.507 7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.343 -1.411 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.632 -3.921 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.827 -3.585 7.590 1.00 0.00 H new ATOM 115 N ASP A 9 -9.882 0.739 5.142 1.00 0.00 N ATOM 116 CA ASP A 9 -9.963 2.190 5.032 1.00 0.00 C ATOM 117 C ASP A 9 -9.990 2.624 3.569 1.00 0.00 C ATOM 118 O ASP A 9 -10.505 3.692 3.239 1.00 0.00 O ATOM 119 CB ASP A 9 -8.789 2.851 5.758 1.00 0.00 C ATOM 120 CG ASP A 9 -8.879 2.799 7.277 1.00 0.00 C ATOM 121 OD1 ASP A 9 -9.925 2.462 7.780 1.00 0.00 O ATOM 122 OD2 ASP A 9 -7.865 2.944 7.917 1.00 0.00 O ATOM 0 H ASP A 9 -9.017 0.396 5.560 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.891 2.512 5.503 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.864 2.367 5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.725 3.893 5.445 1.00 0.00 H new ATOM 127 N MET A 10 -9.432 1.790 2.699 1.00 0.00 N ATOM 128 CA MET A 10 -9.387 2.090 1.272 1.00 0.00 C ATOM 129 C MET A 10 -10.796 2.184 0.694 1.00 0.00 C ATOM 130 O MET A 10 -11.636 1.316 0.932 1.00 0.00 O ATOM 131 CB MET A 10 -8.578 1.028 0.532 1.00 0.00 C ATOM 132 CG MET A 10 -7.075 1.111 0.756 1.00 0.00 C ATOM 133 SD MET A 10 -6.167 -0.171 -0.129 1.00 0.00 S ATOM 134 CE MET A 10 -6.424 0.342 -1.826 1.00 0.00 C ATOM 0 H MET A 10 -9.004 0.901 2.956 1.00 0.00 H new ATOM 0 HA MET A 10 -8.899 3.056 1.140 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.925 0.043 0.843 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.779 1.115 -0.536 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.718 2.090 0.436 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.866 1.028 1.823 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.263 -0.507 -2.491 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.444 0.708 -1.945 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.722 1.137 -2.076 1.00 0.00 H new ATOM 144 N THR A 11 -11.047 3.244 -0.069 1.00 0.00 N ATOM 145 CA THR A 11 -12.403 3.583 -0.484 1.00 0.00 C ATOM 146 C THR A 11 -12.448 3.973 -1.956 1.00 0.00 C ATOM 147 O THR A 11 -13.331 3.540 -2.696 1.00 0.00 O ATOM 148 CB THR A 11 -12.980 4.735 0.360 1.00 0.00 C ATOM 149 OG1 THR A 11 -12.990 4.359 1.745 1.00 0.00 O ATOM 150 CG2 THR A 11 -14.398 5.062 -0.082 1.00 0.00 C ATOM 0 H THR A 11 -10.329 3.882 -0.412 1.00 0.00 H new ATOM 0 HA THR A 11 -13.011 2.691 -0.330 1.00 0.00 H new ATOM 0 HB THR A 11 -12.354 5.616 0.220 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.072 4.196 2.046 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.789 5.878 0.525 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.393 5.360 -1.130 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.030 4.182 0.042 1.00 0.00 H new ATOM 158 N CYS A 12 -11.490 4.793 -2.374 1.00 0.00 N ATOM 159 CA CYS A 12 -11.490 5.342 -3.726 1.00 0.00 C ATOM 160 C CYS A 12 -10.078 5.377 -4.299 1.00 0.00 C ATOM 161 O CYS A 12 -9.104 5.116 -3.594 1.00 0.00 O ATOM 162 CB CYS A 12 -12.024 6.759 -3.518 1.00 0.00 C ATOM 163 SG CYS A 12 -10.992 7.799 -2.455 1.00 0.00 S ATOM 0 H CYS A 12 -10.704 5.092 -1.797 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.081 4.755 -4.429 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.126 7.242 -4.490 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -13.023 6.698 -3.086 1.00 0.00 H new ATOM 0 HG CYS A 12 -11.531 8.977 -2.345 1.00 0.00 H new ATOM 169 N GLY A 13 -9.974 5.699 -5.584 1.00 0.00 N ATOM 170 CA GLY A 13 -8.683 5.700 -6.247 1.00 0.00 C ATOM 171 C GLY A 13 -7.697 6.653 -5.597 1.00 0.00 C ATOM 172 O GLY A 13 -6.485 6.449 -5.672 1.00 0.00 O ATOM 0 H GLY A 13 -10.761 5.959 -6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.271 4.691 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.815 5.977 -7.293 1.00 0.00 H new ATOM 176 N HIS A 14 -8.220 7.694 -4.958 1.00 0.00 N ATOM 177 CA HIS A 14 -7.382 8.640 -4.228 1.00 0.00 C ATOM 178 C HIS A 14 -6.600 7.935 -3.124 1.00 0.00 C ATOM 179 O HIS A 14 -5.394 8.137 -2.977 1.00 0.00 O ATOM 180 CB HIS A 14 -8.229 9.769 -3.633 1.00 0.00 C ATOM 181 CG HIS A 14 -7.440 10.750 -2.822 1.00 0.00 C ATOM 182 ND1 HIS A 14 -6.603 11.685 -3.393 1.00 0.00 N ATOM 183 CD2 HIS A 14 -7.361 10.940 -1.484 1.00 0.00 C ATOM 184 CE1 HIS A 14 -6.043 12.410 -2.440 1.00 0.00 C ATOM 185 NE2 HIS A 14 -6.486 11.977 -1.274 1.00 0.00 N ATOM 0 H HIS A 14 -9.218 7.904 -4.930 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.673 9.071 -4.934 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.731 10.300 -4.442 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.008 9.335 -3.006 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.887 10.381 -0.724 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.343 13.218 -2.590 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.221 12.353 -0.363 1.00 0.00 H new ATOM 192 N CYS A 15 -7.293 7.105 -2.351 1.00 0.00 N ATOM 193 CA CYS A 15 -6.671 6.394 -1.240 1.00 0.00 C ATOM 194 C CYS A 15 -5.609 5.423 -1.744 1.00 0.00 C ATOM 195 O CYS A 15 -4.551 5.274 -1.133 1.00 0.00 O ATOM 196 CB CYS A 15 -7.846 5.635 -0.623 1.00 0.00 C ATOM 197 SG CYS A 15 -9.087 6.689 0.165 1.00 0.00 S ATOM 0 H CYS A 15 -8.286 6.908 -2.474 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.162 7.053 -0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.330 5.045 -1.401 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.461 4.933 0.117 1.00 0.00 H new ATOM 0 HG CYS A 15 -9.918 7.127 -0.734 1.00 0.00 H new ATOM 203 N ALA A 16 -5.898 4.763 -2.861 1.00 0.00 N ATOM 204 CA ALA A 16 -4.923 3.894 -3.509 1.00 0.00 C ATOM 205 C ALA A 16 -3.702 4.684 -3.967 1.00 0.00 C ATOM 206 O ALA A 16 -2.570 4.218 -3.850 1.00 0.00 O ATOM 207 CB ALA A 16 -5.560 3.174 -4.688 1.00 0.00 C ATOM 0 H ALA A 16 -6.799 4.814 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.592 3.154 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.821 2.529 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.397 2.570 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.919 3.907 -5.411 1.00 0.00 H new ATOM 213 N GLY A 17 -3.941 5.884 -4.490 1.00 0.00 N ATOM 214 CA GLY A 17 -2.849 6.725 -4.946 1.00 0.00 C ATOM 215 C GLY A 17 -1.943 7.165 -3.813 1.00 0.00 C ATOM 216 O GLY A 17 -0.722 7.200 -3.962 1.00 0.00 O ATOM 0 H GLY A 17 -4.870 6.288 -4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.262 6.182 -5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.256 7.605 -5.444 1.00 0.00 H new ATOM 220 N VAL A 18 -2.543 7.503 -2.676 1.00 0.00 N ATOM 221 CA VAL A 18 -1.785 7.968 -1.520 1.00 0.00 C ATOM 222 C VAL A 18 -0.881 6.865 -0.977 1.00 0.00 C ATOM 223 O VAL A 18 0.289 7.099 -0.677 1.00 0.00 O ATOM 224 CB VAL A 18 -2.714 8.458 -0.394 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.916 8.733 0.873 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.465 9.708 -0.830 1.00 0.00 C ATOM 0 H VAL A 18 -3.552 7.464 -2.531 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.172 8.803 -1.860 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.441 7.674 -0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.588 9.078 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.420 7.818 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.168 9.500 0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.117 10.041 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.751 10.497 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.065 9.483 -1.712 1.00 0.00 H new ATOM 236 N ILE A 19 -1.433 5.663 -0.855 1.00 0.00 N ATOM 237 CA ILE A 19 -0.666 4.513 -0.393 1.00 0.00 C ATOM 238 C ILE A 19 0.437 4.156 -1.383 1.00 0.00 C ATOM 239 O ILE A 19 1.580 3.915 -0.996 1.00 0.00 O ATOM 240 CB ILE A 19 -1.566 3.284 -0.172 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.510 3.519 1.010 1.00 0.00 C ATOM 242 CG2 ILE A 19 -0.721 2.040 0.056 1.00 0.00 C ATOM 243 CD1 ILE A 19 -3.600 2.480 1.136 1.00 0.00 C ATOM 0 H ILE A 19 -2.409 5.460 -1.070 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.217 4.795 0.560 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.168 3.130 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.927 3.534 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.969 4.502 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.373 1.180 0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.090 1.864 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.094 2.182 0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.228 2.714 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.208 2.479 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.151 1.496 1.272 1.00 0.00 H new ATOM 255 N LYS A 20 0.088 4.125 -2.664 1.00 0.00 N ATOM 256 CA LYS A 20 1.048 3.807 -3.713 1.00 0.00 C ATOM 257 C LYS A 20 2.190 4.818 -3.731 1.00 0.00 C ATOM 258 O LYS A 20 3.359 4.448 -3.838 1.00 0.00 O ATOM 259 CB LYS A 20 0.359 3.765 -5.078 1.00 0.00 C ATOM 260 CG LYS A 20 1.285 3.433 -6.241 1.00 0.00 C ATOM 261 CD LYS A 20 0.497 3.112 -7.502 1.00 0.00 C ATOM 262 CE LYS A 20 1.420 2.875 -8.687 1.00 0.00 C ATOM 263 NZ LYS A 20 2.429 1.819 -8.404 1.00 0.00 N ATOM 0 H LYS A 20 -0.855 4.317 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 20 1.464 2.822 -3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.442 3.026 -5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.108 4.732 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.951 4.275 -6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.914 2.583 -5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.117 2.227 -7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.183 3.934 -7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.828 2.588 -9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.929 3.804 -8.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.817 1.461 -9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.198 2.219 -7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.978 1.038 -7.885 1.00 0.00 H new ATOM 277 N GLY A 21 1.844 6.098 -3.621 1.00 0.00 N ATOM 278 CA GLY A 21 2.851 7.142 -3.636 1.00 0.00 C ATOM 279 C GLY A 21 3.770 7.079 -2.432 1.00 0.00 C ATOM 280 O GLY A 21 4.981 7.262 -2.557 1.00 0.00 O ATOM 0 H GLY A 21 0.884 6.429 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.444 7.057 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.361 8.115 -3.664 1.00 0.00 H new ATOM 284 N ALA A 22 3.193 6.818 -1.263 1.00 0.00 N ATOM 285 CA ALA A 22 3.968 6.748 -0.030 1.00 0.00 C ATOM 286 C ALA A 22 4.977 5.607 -0.079 1.00 0.00 C ATOM 287 O ALA A 22 6.124 5.760 0.346 1.00 0.00 O ATOM 288 CB ALA A 22 3.041 6.582 1.165 1.00 0.00 C ATOM 0 H ALA A 22 2.194 6.652 -1.144 1.00 0.00 H new ATOM 0 HA ALA A 22 4.520 7.682 0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.632 6.531 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.361 7.432 1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.465 5.663 1.054 1.00 0.00 H new ATOM 294 N ILE A 23 4.546 4.463 -0.598 1.00 0.00 N ATOM 295 CA ILE A 23 5.413 3.296 -0.701 1.00 0.00 C ATOM 296 C ILE A 23 6.560 3.546 -1.673 1.00 0.00 C ATOM 297 O ILE A 23 7.721 3.275 -1.363 1.00 0.00 O ATOM 298 CB ILE A 23 4.630 2.050 -1.153 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.634 1.623 -0.072 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.585 0.912 -1.480 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.608 0.620 -0.548 1.00 0.00 C ATOM 0 H ILE A 23 3.601 4.319 -0.954 1.00 0.00 H new ATOM 0 HA ILE A 23 5.819 3.116 0.295 1.00 0.00 H new ATOM 0 HB ILE A 23 4.072 2.300 -2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.184 1.196 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.118 2.507 0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.015 0.039 -1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.256 1.219 -2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.169 0.661 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.938 0.367 0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.031 1.050 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.114 -0.281 -0.895 1.00 0.00 H new ATOM 313 N GLU A 24 6.228 4.067 -2.850 1.00 0.00 N ATOM 314 CA GLU A 24 7.225 4.307 -3.887 1.00 0.00 C ATOM 315 C GLU A 24 8.226 5.370 -3.443 1.00 0.00 C ATOM 316 O GLU A 24 9.416 5.285 -3.749 1.00 0.00 O ATOM 317 CB GLU A 24 6.550 4.730 -5.193 1.00 0.00 C ATOM 318 CG GLU A 24 5.796 3.612 -5.901 1.00 0.00 C ATOM 319 CD GLU A 24 5.079 4.124 -7.119 1.00 0.00 C ATOM 320 OE1 GLU A 24 5.116 5.308 -7.354 1.00 0.00 O ATOM 321 OE2 GLU A 24 4.589 3.319 -7.878 1.00 0.00 O ATOM 0 H GLU A 24 5.277 4.331 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 24 7.765 3.376 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.856 5.544 -4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.309 5.125 -5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.494 2.826 -6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.078 3.164 -5.215 1.00 0.00 H new ATOM 328 N LYS A 25 7.737 6.371 -2.720 1.00 0.00 N ATOM 329 CA LYS A 25 8.577 7.474 -2.270 1.00 0.00 C ATOM 330 C LYS A 25 9.633 6.985 -1.283 1.00 0.00 C ATOM 331 O LYS A 25 10.801 7.368 -1.367 1.00 0.00 O ATOM 332 CB LYS A 25 7.726 8.573 -1.631 1.00 0.00 C ATOM 333 CG LYS A 25 8.510 9.803 -1.195 1.00 0.00 C ATOM 334 CD LYS A 25 7.583 10.907 -0.708 1.00 0.00 C ATOM 335 CE LYS A 25 8.367 12.124 -0.242 1.00 0.00 C ATOM 336 NZ LYS A 25 7.474 13.199 0.270 1.00 0.00 N ATOM 0 H LYS A 25 6.761 6.441 -2.433 1.00 0.00 H new ATOM 0 HA LYS A 25 9.085 7.888 -3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.958 8.880 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.211 8.159 -0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.204 9.531 -0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.109 10.170 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.904 11.195 -1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.968 10.533 0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.064 11.828 0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.962 12.510 -1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.048 14.010 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.825 13.500 -0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.924 12.839 1.076 1.00 0.00 H new ATOM 350 N THR A 26 9.217 6.136 -0.349 1.00 0.00 N ATOM 351 CA THR A 26 10.096 5.686 0.722 1.00 0.00 C ATOM 352 C THR A 26 10.821 4.402 0.335 1.00 0.00 C ATOM 353 O THR A 26 11.854 4.063 0.912 1.00 0.00 O ATOM 354 CB THR A 26 9.318 5.452 2.030 1.00 0.00 C ATOM 355 OG1 THR A 26 8.336 4.428 1.828 1.00 0.00 O ATOM 356 CG2 THR A 26 8.628 6.732 2.477 1.00 0.00 C ATOM 0 H THR A 26 8.275 5.746 -0.313 1.00 0.00 H new ATOM 0 HA THR A 26 10.827 6.478 0.883 1.00 0.00 H new ATOM 0 HB THR A 26 10.021 5.143 2.803 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.571 4.800 1.342 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.083 6.547 3.403 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.374 7.509 2.644 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.931 7.058 1.705 1.00 0.00 H new ATOM 364 N VAL A 27 10.273 3.690 -0.646 1.00 0.00 N ATOM 365 CA VAL A 27 10.888 2.463 -1.134 1.00 0.00 C ATOM 366 C VAL A 27 11.062 2.500 -2.649 1.00 0.00 C ATOM 367 O VAL A 27 10.101 2.395 -3.412 1.00 0.00 O ATOM 368 CB VAL A 27 10.056 1.224 -0.753 1.00 0.00 C ATOM 369 CG1 VAL A 27 10.708 -0.041 -1.289 1.00 0.00 C ATOM 370 CG2 VAL A 27 9.891 1.138 0.758 1.00 0.00 C ATOM 0 H VAL A 27 9.405 3.943 -1.117 1.00 0.00 H new ATOM 0 HA VAL A 27 11.867 2.391 -0.660 1.00 0.00 H new ATOM 0 HB VAL A 27 9.068 1.320 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.107 -0.906 -1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.778 0.018 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.707 -0.142 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.301 0.257 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.872 1.064 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.382 2.031 1.120 1.00 0.00 H new ATOM 380 N PRO A 28 12.317 2.655 -3.097 1.00 0.00 N ATOM 381 CA PRO A 28 12.645 2.718 -4.524 1.00 0.00 C ATOM 382 C PRO A 28 12.489 1.367 -5.215 1.00 0.00 C ATOM 383 O PRO A 28 12.949 0.344 -4.709 1.00 0.00 O ATOM 384 CB PRO A 28 14.098 3.204 -4.547 1.00 0.00 C ATOM 385 CG PRO A 28 14.661 2.752 -3.243 1.00 0.00 C ATOM 386 CD PRO A 28 13.528 2.865 -2.258 1.00 0.00 C ATOM 0 HA PRO A 28 11.972 3.379 -5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.647 2.777 -5.386 1.00 0.00 H new ATOM 0 HB3 PRO A 28 14.153 4.288 -4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 28 15.026 1.727 -3.307 1.00 0.00 H new ATOM 0 HG3 PRO A 28 15.506 3.373 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.605 2.116 -1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.515 3.840 -1.771 1.00 0.00 H new ATOM 394 N GLY A 29 11.838 1.372 -6.374 1.00 0.00 N ATOM 395 CA GLY A 29 11.693 0.153 -7.149 1.00 0.00 C ATOM 396 C GLY A 29 10.536 -0.703 -6.674 1.00 0.00 C ATOM 397 O GLY A 29 10.394 -1.852 -7.087 1.00 0.00 O ATOM 0 H GLY A 29 11.408 2.198 -6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.545 0.409 -8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.616 -0.424 -7.089 1.00 0.00 H new ATOM 401 N ALA A 30 9.707 -0.141 -5.801 1.00 0.00 N ATOM 402 CA ALA A 30 8.557 -0.861 -5.265 1.00 0.00 C ATOM 403 C ALA A 30 7.425 -0.920 -6.283 1.00 0.00 C ATOM 404 O ALA A 30 7.005 0.104 -6.821 1.00 0.00 O ATOM 405 CB ALA A 30 8.078 -0.208 -3.977 1.00 0.00 C ATOM 0 H ALA A 30 9.810 0.811 -5.449 1.00 0.00 H new ATOM 0 HA ALA A 30 8.868 -1.882 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.220 -0.756 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.882 -0.223 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.789 0.824 -4.178 1.00 0.00 H new ATOM 411 N ALA A 31 6.933 -2.128 -6.544 1.00 0.00 N ATOM 412 CA ALA A 31 5.769 -2.309 -7.402 1.00 0.00 C ATOM 413 C ALA A 31 4.494 -2.446 -6.577 1.00 0.00 C ATOM 414 O ALA A 31 4.333 -3.402 -5.819 1.00 0.00 O ATOM 415 CB ALA A 31 5.956 -3.528 -8.295 1.00 0.00 C ATOM 0 H ALA A 31 7.323 -2.995 -6.173 1.00 0.00 H new ATOM 0 HA ALA A 31 5.670 -1.423 -8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.079 -3.651 -8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.840 -3.390 -8.918 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.083 -4.416 -7.676 1.00 0.00 H new ATOM 421 N VAL A 32 3.590 -1.484 -6.731 1.00 0.00 N ATOM 422 CA VAL A 32 2.354 -1.465 -5.957 1.00 0.00 C ATOM 423 C VAL A 32 1.134 -1.480 -6.872 1.00 0.00 C ATOM 424 O VAL A 32 0.957 -0.587 -7.700 1.00 0.00 O ATOM 425 CB VAL A 32 2.281 -0.233 -5.037 1.00 0.00 C ATOM 426 CG1 VAL A 32 0.971 -0.222 -4.265 1.00 0.00 C ATOM 427 CG2 VAL A 32 3.462 -0.213 -4.079 1.00 0.00 C ATOM 0 H VAL A 32 3.690 -0.707 -7.385 1.00 0.00 H new ATOM 0 HA VAL A 32 2.354 -2.364 -5.341 1.00 0.00 H new ATOM 0 HB VAL A 32 2.324 0.662 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.936 0.656 -3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.136 -0.191 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.900 -1.123 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.394 0.665 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.448 -1.114 -3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.391 -0.175 -4.648 1.00 0.00 H new ATOM 437 N HIS A 33 0.295 -2.497 -6.713 1.00 0.00 N ATOM 438 CA HIS A 33 -0.977 -2.558 -7.427 1.00 0.00 C ATOM 439 C HIS A 33 -2.148 -2.570 -6.451 1.00 0.00 C ATOM 440 O HIS A 33 -2.418 -3.580 -5.801 1.00 0.00 O ATOM 441 CB HIS A 33 -1.033 -3.794 -8.331 1.00 0.00 C ATOM 442 CG HIS A 33 0.090 -3.869 -9.318 1.00 0.00 C ATOM 443 ND1 HIS A 33 0.090 -3.158 -10.500 1.00 0.00 N ATOM 444 CD2 HIS A 33 1.247 -4.571 -9.300 1.00 0.00 C ATOM 445 CE1 HIS A 33 1.201 -3.420 -11.166 1.00 0.00 C ATOM 446 NE2 HIS A 33 1.919 -4.273 -10.461 1.00 0.00 N ATOM 0 H HIS A 33 0.471 -3.290 -6.097 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.054 -1.666 -8.049 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.019 -4.689 -7.709 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.980 -3.796 -8.871 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.580 -5.240 -8.520 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.475 -3.006 -12.125 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.827 -4.650 -10.734 1.00 0.00 H new ATOM 453 N ALA A 34 -2.840 -1.440 -6.351 1.00 0.00 N ATOM 454 CA ALA A 34 -3.866 -1.259 -5.330 1.00 0.00 C ATOM 455 C ALA A 34 -5.260 -1.244 -5.948 1.00 0.00 C ATOM 456 O ALA A 34 -5.465 -0.687 -7.027 1.00 0.00 O ATOM 457 CB ALA A 34 -3.617 0.027 -4.555 1.00 0.00 C ATOM 0 H ALA A 34 -2.709 -0.636 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.812 -2.103 -4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.390 0.150 -3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.640 -0.022 -4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.642 0.875 -5.239 1.00 0.00 H new ATOM 463 N ASP A 35 -6.214 -1.859 -5.259 1.00 0.00 N ATOM 464 CA ASP A 35 -7.606 -1.840 -5.695 1.00 0.00 C ATOM 465 C ASP A 35 -8.529 -1.442 -4.547 1.00 0.00 C ATOM 466 O ASP A 35 -8.794 -2.221 -3.632 1.00 0.00 O ATOM 467 CB ASP A 35 -8.014 -3.206 -6.251 1.00 0.00 C ATOM 468 CG ASP A 35 -9.436 -3.265 -6.795 1.00 0.00 C ATOM 469 OD1 ASP A 35 -10.095 -2.252 -6.791 1.00 0.00 O ATOM 470 OD2 ASP A 35 -9.796 -4.275 -7.350 1.00 0.00 O ATOM 0 H ASP A 35 -6.050 -2.377 -4.396 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.701 -1.097 -6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.322 -3.482 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.908 -3.952 -5.463 1.00 0.00 H new ATOM 475 N PRO A 36 -9.031 -0.198 -4.597 1.00 0.00 N ATOM 476 CA PRO A 36 -9.916 0.338 -3.558 1.00 0.00 C ATOM 477 C PRO A 36 -11.299 -0.304 -3.587 1.00 0.00 C ATOM 478 O PRO A 36 -11.993 -0.350 -2.573 1.00 0.00 O ATOM 479 CB PRO A 36 -9.979 1.837 -3.866 1.00 0.00 C ATOM 480 CG PRO A 36 -9.701 1.928 -5.328 1.00 0.00 C ATOM 481 CD PRO A 36 -8.705 0.836 -5.613 1.00 0.00 C ATOM 0 HA PRO A 36 -9.544 0.130 -2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.957 2.252 -3.621 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.242 2.393 -3.286 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.612 1.791 -5.911 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.298 2.906 -5.591 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.810 0.451 -6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.679 1.191 -5.511 1.00 0.00 H new ATOM 489 N ALA A 37 -11.693 -0.798 -4.755 1.00 0.00 N ATOM 490 CA ALA A 37 -12.936 -1.547 -4.890 1.00 0.00 C ATOM 491 C ALA A 37 -12.856 -2.881 -4.156 1.00 0.00 C ATOM 492 O ALA A 37 -13.846 -3.354 -3.597 1.00 0.00 O ATOM 493 CB ALA A 37 -13.265 -1.767 -6.359 1.00 0.00 C ATOM 0 H ALA A 37 -11.168 -0.693 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.735 -0.961 -4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.196 -2.328 -6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.376 -0.803 -6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.459 -2.328 -6.832 1.00 0.00 H new ATOM 499 N SER A 38 -11.671 -3.484 -4.164 1.00 0.00 N ATOM 500 CA SER A 38 -11.446 -4.736 -3.449 1.00 0.00 C ATOM 501 C SER A 38 -10.814 -4.475 -2.084 1.00 0.00 C ATOM 502 O SER A 38 -10.637 -5.393 -1.285 1.00 0.00 O ATOM 503 CB SER A 38 -10.570 -5.659 -4.272 1.00 0.00 C ATOM 504 OG SER A 38 -11.156 -5.983 -5.502 1.00 0.00 O ATOM 0 H SER A 38 -10.853 -3.127 -4.657 1.00 0.00 H new ATOM 0 HA SER A 38 -12.410 -5.219 -3.289 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.605 -5.183 -4.445 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.379 -6.573 -3.710 1.00 0.00 H new ATOM 0 HG SER A 38 -10.740 -5.451 -6.213 1.00 0.00 H new ATOM 510 N ARG A 39 -10.477 -3.215 -1.827 1.00 0.00 N ATOM 511 CA ARG A 39 -9.871 -2.830 -0.557 1.00 0.00 C ATOM 512 C ARG A 39 -8.581 -3.610 -0.314 1.00 0.00 C ATOM 513 O ARG A 39 -8.227 -3.906 0.827 1.00 0.00 O ATOM 514 CB ARG A 39 -10.838 -2.969 0.609 1.00 0.00 C ATOM 515 CG ARG A 39 -12.090 -2.115 0.505 1.00 0.00 C ATOM 516 CD ARG A 39 -13.071 -2.331 1.600 1.00 0.00 C ATOM 517 NE ARG A 39 -14.386 -1.760 1.353 1.00 0.00 N ATOM 518 CZ ARG A 39 -15.443 -1.889 2.179 1.00 0.00 C ATOM 519 NH1 ARG A 39 -15.358 -2.595 3.283 1.00 0.00 N ATOM 520 NH2 ARG A 39 -16.577 -1.304 1.836 1.00 0.00 N ATOM 0 H ARG A 39 -10.613 -2.444 -2.481 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.619 -1.772 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.135 -4.014 0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.315 -2.710 1.529 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.799 -1.065 0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.577 -2.319 -0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.180 -3.403 1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.670 -1.904 2.519 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.517 -1.225 0.495 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.482 -3.057 3.527 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.168 -2.682 3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.635 -0.773 0.967 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -17.395 -1.383 2.440 1.00 0.00 H new ATOM 534 N THR A 40 -7.881 -3.939 -1.397 1.00 0.00 N ATOM 535 CA THR A 40 -6.738 -4.839 -1.322 1.00 0.00 C ATOM 536 C THR A 40 -5.537 -4.265 -2.068 1.00 0.00 C ATOM 537 O THR A 40 -5.681 -3.699 -3.151 1.00 0.00 O ATOM 538 CB THR A 40 -7.074 -6.226 -1.899 1.00 0.00 C ATOM 539 OG1 THR A 40 -8.163 -6.801 -1.164 1.00 0.00 O ATOM 540 CG2 THR A 40 -5.866 -7.148 -1.812 1.00 0.00 C ATOM 0 H THR A 40 -8.087 -3.595 -2.335 1.00 0.00 H new ATOM 0 HA THR A 40 -6.489 -4.946 -0.266 1.00 0.00 H new ATOM 0 HB THR A 40 -7.354 -6.109 -2.946 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.956 -6.233 -1.257 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.123 -8.124 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.040 -6.720 -2.380 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.569 -7.262 -0.769 1.00 0.00 H new ATOM 548 N VAL A 41 -4.355 -4.419 -1.481 1.00 0.00 N ATOM 549 CA VAL A 41 -3.121 -3.979 -2.124 1.00 0.00 C ATOM 550 C VAL A 41 -2.195 -5.158 -2.397 1.00 0.00 C ATOM 551 O VAL A 41 -1.878 -5.935 -1.496 1.00 0.00 O ATOM 552 CB VAL A 41 -2.375 -2.940 -1.266 1.00 0.00 C ATOM 553 CG1 VAL A 41 -1.112 -2.474 -1.973 1.00 0.00 C ATOM 554 CG2 VAL A 41 -3.279 -1.757 -0.957 1.00 0.00 C ATOM 0 H VAL A 41 -4.225 -4.844 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.406 -3.516 -3.069 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.090 -3.411 -0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.597 -1.740 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.456 -3.327 -2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.376 -2.020 -2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.736 -1.033 -0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.594 -1.286 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.157 -2.103 -0.411 1.00 0.00 H new ATOM 564 N VAL A 42 -1.762 -5.286 -3.647 1.00 0.00 N ATOM 565 CA VAL A 42 -0.812 -6.326 -4.026 1.00 0.00 C ATOM 566 C VAL A 42 0.558 -5.732 -4.334 1.00 0.00 C ATOM 567 O VAL A 42 0.687 -4.845 -5.178 1.00 0.00 O ATOM 568 CB VAL A 42 -1.304 -7.122 -5.249 1.00 0.00 C ATOM 569 CG1 VAL A 42 -0.278 -8.171 -5.649 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.645 -7.775 -4.955 1.00 0.00 C ATOM 0 H VAL A 42 -2.054 -4.682 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.729 -7.002 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.433 -6.430 -6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.642 -8.724 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.663 -7.682 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.119 -8.860 -4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.978 -8.333 -5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.541 -8.454 -4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.379 -7.006 -4.715 1.00 0.00 H new ATOM 580 N VAL A 43 1.581 -6.227 -3.643 1.00 0.00 N ATOM 581 CA VAL A 43 2.899 -5.604 -3.677 1.00 0.00 C ATOM 582 C VAL A 43 3.960 -6.593 -4.145 1.00 0.00 C ATOM 583 O VAL A 43 3.994 -7.740 -3.701 1.00 0.00 O ATOM 584 CB VAL A 43 3.298 -5.051 -2.297 1.00 0.00 C ATOM 585 CG1 VAL A 43 4.668 -4.391 -2.364 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.257 -4.063 -1.797 1.00 0.00 C ATOM 0 H VAL A 43 1.522 -7.057 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 43 2.840 -4.777 -4.384 1.00 0.00 H new ATOM 0 HB VAL A 43 3.349 -5.883 -1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.935 -4.005 -1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.410 -5.124 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.642 -3.570 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.556 -3.683 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.175 -3.234 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.292 -4.563 -1.712 1.00 0.00 H new ATOM 596 N GLY A 44 4.827 -6.141 -5.047 1.00 0.00 N ATOM 597 CA GLY A 44 5.926 -6.972 -5.502 1.00 0.00 C ATOM 598 C GLY A 44 7.074 -7.007 -4.514 1.00 0.00 C ATOM 599 O GLY A 44 6.898 -6.699 -3.336 1.00 0.00 O ATOM 0 H GLY A 44 4.787 -5.214 -5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.565 -7.986 -5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.287 -6.599 -6.460 1.00 0.00 H new ATOM 603 N GLY A 45 8.255 -7.387 -4.994 1.00 0.00 N ATOM 604 CA GLY A 45 9.416 -7.467 -4.128 1.00 0.00 C ATOM 605 C GLY A 45 9.728 -6.146 -3.451 1.00 0.00 C ATOM 606 O GLY A 45 10.074 -5.168 -4.112 1.00 0.00 O ATOM 0 H GLY A 45 8.428 -7.641 -5.967 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.247 -8.230 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.280 -7.785 -4.712 1.00 0.00 H new ATOM 610 N VAL A 46 9.601 -6.117 -2.128 1.00 0.00 N ATOM 611 CA VAL A 46 9.861 -4.904 -1.362 1.00 0.00 C ATOM 612 C VAL A 46 10.513 -5.228 -0.022 1.00 0.00 C ATOM 613 O VAL A 46 10.714 -6.395 0.315 1.00 0.00 O ATOM 614 CB VAL A 46 8.569 -4.104 -1.113 1.00 0.00 C ATOM 615 CG1 VAL A 46 7.993 -3.599 -2.428 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.547 -4.958 -0.378 1.00 0.00 C ATOM 0 H VAL A 46 9.320 -6.919 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 46 10.543 -4.297 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 46 8.812 -3.243 -0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.080 -3.036 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.720 -2.953 -2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.765 -4.446 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.640 -4.377 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.309 -5.837 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.958 -5.273 0.581 1.00 0.00 H new ATOM 626 N SER A 47 10.842 -4.188 0.737 1.00 0.00 N ATOM 627 CA SER A 47 11.430 -4.362 2.060 1.00 0.00 C ATOM 628 C SER A 47 10.445 -5.047 3.005 1.00 0.00 C ATOM 629 O SER A 47 9.309 -5.337 2.631 1.00 0.00 O ATOM 630 CB SER A 47 11.862 -3.022 2.621 1.00 0.00 C ATOM 631 OG SER A 47 10.769 -2.195 2.909 1.00 0.00 O ATOM 0 H SER A 47 10.711 -3.216 0.458 1.00 0.00 H new ATOM 0 HA SER A 47 12.308 -5.001 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.445 -3.180 3.528 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.515 -2.523 1.905 1.00 0.00 H new ATOM 0 HG SER A 47 11.068 -1.263 2.960 1.00 0.00 H new ATOM 637 N ASP A 48 10.892 -5.300 4.230 1.00 0.00 N ATOM 638 CA ASP A 48 10.105 -6.073 5.184 1.00 0.00 C ATOM 639 C ASP A 48 8.627 -5.704 5.097 1.00 0.00 C ATOM 640 O ASP A 48 8.268 -4.526 5.124 1.00 0.00 O ATOM 641 CB ASP A 48 10.620 -5.853 6.609 1.00 0.00 C ATOM 642 CG ASP A 48 9.901 -6.674 7.671 1.00 0.00 C ATOM 643 OD1 ASP A 48 8.947 -7.336 7.338 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.402 -6.757 8.768 1.00 0.00 O ATOM 0 H ASP A 48 11.794 -4.982 4.586 1.00 0.00 H new ATOM 0 HA ASP A 48 10.212 -7.128 4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.683 -6.093 6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.525 -4.796 6.858 1.00 0.00 H new ATOM 649 N ALA A 49 7.774 -6.718 4.987 1.00 0.00 N ATOM 650 CA ALA A 49 6.334 -6.501 4.917 1.00 0.00 C ATOM 651 C ALA A 49 5.845 -5.680 6.105 1.00 0.00 C ATOM 652 O ALA A 49 4.883 -4.918 5.991 1.00 0.00 O ATOM 653 CB ALA A 49 5.604 -7.834 4.856 1.00 0.00 C ATOM 0 H ALA A 49 8.056 -7.697 4.944 1.00 0.00 H new ATOM 0 HA ALA A 49 6.118 -5.939 4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.530 -7.658 4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.925 -8.384 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.834 -8.416 5.749 1.00 0.00 H new ATOM 659 N ALA A 50 6.510 -5.840 7.244 1.00 0.00 N ATOM 660 CA ALA A 50 6.212 -5.037 8.422 1.00 0.00 C ATOM 661 C ALA A 50 6.463 -3.556 8.157 1.00 0.00 C ATOM 662 O ALA A 50 5.693 -2.698 8.584 1.00 0.00 O ATOM 663 CB ALA A 50 7.040 -5.510 9.608 1.00 0.00 C ATOM 0 H ALA A 50 7.259 -6.519 7.375 1.00 0.00 H new ATOM 0 HA ALA A 50 5.155 -5.163 8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.806 -4.900 10.481 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.807 -6.553 9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.100 -5.415 9.373 1.00 0.00 H new ATOM 669 N HIS A 51 7.552 -3.264 7.449 1.00 0.00 N ATOM 670 CA HIS A 51 7.933 -1.885 7.170 1.00 0.00 C ATOM 671 C HIS A 51 6.921 -1.217 6.245 1.00 0.00 C ATOM 672 O HIS A 51 6.492 -0.088 6.489 1.00 0.00 O ATOM 673 CB HIS A 51 9.333 -1.823 6.549 1.00 0.00 C ATOM 674 CG HIS A 51 9.785 -0.434 6.220 1.00 0.00 C ATOM 675 ND1 HIS A 51 10.140 0.481 7.190 1.00 0.00 N ATOM 676 CD2 HIS A 51 9.939 0.197 5.033 1.00 0.00 C ATOM 677 CE1 HIS A 51 10.494 1.616 6.611 1.00 0.00 C ATOM 678 NE2 HIS A 51 10.381 1.469 5.303 1.00 0.00 N ATOM 0 H HIS A 51 8.184 -3.964 7.060 1.00 0.00 H new ATOM 0 HA HIS A 51 7.946 -1.345 8.117 1.00 0.00 H new ATOM 0 HB2 HIS A 51 10.047 -2.274 7.238 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.344 -2.424 5.640 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.750 -0.222 4.056 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.820 2.511 7.121 1.00 0.00 H new ATOM 0 HE2 HIS A 51 10.588 2.184 4.606 1.00 0.00 H new ATOM 685 N ILE A 52 6.543 -1.919 5.183 1.00 0.00 N ATOM 686 CA ILE A 52 5.609 -1.380 4.202 1.00 0.00 C ATOM 687 C ILE A 52 4.203 -1.274 4.782 1.00 0.00 C ATOM 688 O ILE A 52 3.407 -0.436 4.358 1.00 0.00 O ATOM 689 CB ILE A 52 5.567 -2.244 2.928 1.00 0.00 C ATOM 690 CG1 ILE A 52 4.930 -1.464 1.775 1.00 0.00 C ATOM 691 CG2 ILE A 52 4.805 -3.534 3.187 1.00 0.00 C ATOM 692 CD1 ILE A 52 5.087 -2.130 0.427 1.00 0.00 C ATOM 0 H ILE A 52 6.869 -2.864 4.979 1.00 0.00 H new ATOM 0 HA ILE A 52 5.966 -0.384 3.941 1.00 0.00 H new ATOM 0 HB ILE A 52 6.589 -2.499 2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.868 -1.330 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.374 -0.470 1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.784 -4.133 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.299 -4.095 3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.785 -3.299 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.610 -1.518 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.147 -2.239 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.617 -3.113 0.450 1.00 0.00 H new ATOM 704 N ALA A 53 3.904 -2.126 5.757 1.00 0.00 N ATOM 705 CA ALA A 53 2.679 -2.000 6.536 1.00 0.00 C ATOM 706 C ALA A 53 2.687 -0.722 7.368 1.00 0.00 C ATOM 707 O ALA A 53 1.659 -0.061 7.516 1.00 0.00 O ATOM 708 CB ALA A 53 2.494 -3.215 7.431 1.00 0.00 C ATOM 0 H ALA A 53 4.495 -2.912 6.026 1.00 0.00 H new ATOM 0 HA ALA A 53 1.841 -1.945 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.575 -3.106 8.007 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.433 -4.113 6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.341 -3.298 8.112 1.00 0.00 H new ATOM 714 N GLU A 54 3.851 -0.382 7.910 1.00 0.00 N ATOM 715 CA GLU A 54 4.024 0.879 8.622 1.00 0.00 C ATOM 716 C GLU A 54 3.923 2.062 7.663 1.00 0.00 C ATOM 717 O GLU A 54 3.465 3.142 8.040 1.00 0.00 O ATOM 718 CB GLU A 54 5.367 0.904 9.354 1.00 0.00 C ATOM 719 CG GLU A 54 5.437 -0.006 10.572 1.00 0.00 C ATOM 720 CD GLU A 54 6.819 -0.025 11.162 1.00 0.00 C ATOM 721 OE1 GLU A 54 7.692 0.593 10.601 1.00 0.00 O ATOM 722 OE2 GLU A 54 6.978 -0.560 12.234 1.00 0.00 O ATOM 0 H GLU A 54 4.689 -0.962 7.870 1.00 0.00 H new ATOM 0 HA GLU A 54 3.224 0.963 9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.153 0.617 8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.577 1.927 9.667 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.723 0.333 11.323 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.146 -1.018 10.290 1.00 0.00 H new ATOM 729 N ILE A 55 4.353 1.851 6.424 1.00 0.00 N ATOM 730 CA ILE A 55 4.220 2.866 5.386 1.00 0.00 C ATOM 731 C ILE A 55 2.753 3.139 5.070 1.00 0.00 C ATOM 732 O ILE A 55 2.350 4.289 4.896 1.00 0.00 O ATOM 733 CB ILE A 55 4.946 2.452 4.095 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.462 2.470 4.305 1.00 0.00 C ATOM 735 CG2 ILE A 55 4.555 3.369 2.947 1.00 0.00 C ATOM 736 CD1 ILE A 55 7.246 1.890 3.150 1.00 0.00 C ATOM 0 H ILE A 55 4.797 0.986 6.114 1.00 0.00 H new ATOM 0 HA ILE A 55 4.681 3.775 5.773 1.00 0.00 H new ATOM 0 HB ILE A 55 4.646 1.436 3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.784 3.498 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.700 1.912 5.210 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.078 3.062 2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.479 3.308 2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.827 4.396 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.312 1.938 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.954 0.851 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.039 2.462 2.246 1.00 0.00 H new ATOM 748 N ILE A 56 1.961 2.075 5.001 1.00 0.00 N ATOM 749 CA ILE A 56 0.520 2.206 4.829 1.00 0.00 C ATOM 750 C ILE A 56 -0.104 2.977 5.987 1.00 0.00 C ATOM 751 O ILE A 56 -0.997 3.803 5.791 1.00 0.00 O ATOM 752 CB ILE A 56 -0.162 0.831 4.711 1.00 0.00 C ATOM 753 CG1 ILE A 56 0.254 0.138 3.411 1.00 0.00 C ATOM 754 CG2 ILE A 56 -1.675 0.980 4.778 1.00 0.00 C ATOM 755 CD1 ILE A 56 -0.135 -1.321 3.346 1.00 0.00 C ATOM 0 H ILE A 56 2.293 1.112 5.062 1.00 0.00 H new ATOM 0 HA ILE A 56 0.362 2.758 3.903 1.00 0.00 H new ATOM 0 HB ILE A 56 0.159 0.212 5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.198 0.663 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.335 0.222 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.141 -0.002 4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.954 1.433 5.729 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.015 1.615 3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.193 -1.743 2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.339 -1.861 4.166 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.218 -1.413 3.429 1.00 0.00 H new ATOM 767 N THR A 57 0.373 2.704 7.199 1.00 0.00 N ATOM 768 CA THR A 57 -0.016 3.484 8.367 1.00 0.00 C ATOM 769 C THR A 57 0.446 4.931 8.239 1.00 0.00 C ATOM 770 O THR A 57 -0.266 5.856 8.627 1.00 0.00 O ATOM 771 CB THR A 57 0.557 2.883 9.663 1.00 0.00 C ATOM 772 OG1 THR A 57 0.034 1.562 9.853 1.00 0.00 O ATOM 773 CG2 THR A 57 0.189 3.747 10.859 1.00 0.00 C ATOM 0 H THR A 57 1.029 1.948 7.396 1.00 0.00 H new ATOM 0 HA THR A 57 -1.105 3.457 8.417 1.00 0.00 H new ATOM 0 HB THR A 57 1.643 2.842 9.578 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.441 0.952 9.203 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.602 3.307 11.767 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.596 4.749 10.723 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.896 3.805 10.946 1.00 0.00 H new ATOM 781 N ALA A 58 1.643 5.119 7.694 1.00 0.00 N ATOM 782 CA ALA A 58 2.170 6.457 7.449 1.00 0.00 C ATOM 783 C ALA A 58 1.333 7.195 6.410 1.00 0.00 C ATOM 784 O ALA A 58 1.289 8.424 6.394 1.00 0.00 O ATOM 785 CB ALA A 58 3.622 6.379 7.001 1.00 0.00 C ATOM 0 H ALA A 58 2.267 4.362 7.413 1.00 0.00 H new ATOM 0 HA ALA A 58 2.119 7.017 8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.002 7.385 6.822 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.217 5.899 7.778 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.688 5.797 6.082 1.00 0.00 H new ATOM 791 N ALA A 59 0.671 6.436 5.542 1.00 0.00 N ATOM 792 CA ALA A 59 -0.251 7.012 4.572 1.00 0.00 C ATOM 793 C ALA A 59 -1.599 7.324 5.213 1.00 0.00 C ATOM 794 O ALA A 59 -2.473 7.919 4.584 1.00 0.00 O ATOM 795 CB ALA A 59 -0.431 6.069 3.390 1.00 0.00 C ATOM 0 H ALA A 59 0.757 5.421 5.491 1.00 0.00 H new ATOM 0 HA ALA A 59 0.176 7.949 4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.122 6.512 2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.532 5.901 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.832 5.118 3.741 1.00 0.00 H new ATOM 801 N GLY A 60 -1.761 6.918 6.468 1.00 0.00 N ATOM 802 CA GLY A 60 -2.959 7.261 7.211 1.00 0.00 C ATOM 803 C GLY A 60 -4.031 6.195 7.107 1.00 0.00 C ATOM 804 O GLY A 60 -5.193 6.438 7.435 1.00 0.00 O ATOM 0 H GLY A 60 -1.083 6.357 6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.702 7.412 8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.354 8.207 6.840 1.00 0.00 H new ATOM 808 N TYR A 61 -3.644 5.010 6.649 1.00 0.00 N ATOM 809 CA TYR A 61 -4.587 3.913 6.469 1.00 0.00 C ATOM 810 C TYR A 61 -4.194 2.712 7.324 1.00 0.00 C ATOM 811 O TYR A 61 -3.011 2.424 7.507 1.00 0.00 O ATOM 812 CB TYR A 61 -4.664 3.508 4.995 1.00 0.00 C ATOM 813 CG TYR A 61 -5.087 4.630 4.072 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.428 4.865 3.807 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.145 5.449 3.467 1.00 0.00 C ATOM 816 CE1 TYR A 61 -6.820 5.888 2.965 1.00 0.00 C ATOM 817 CE2 TYR A 61 -4.525 6.475 2.625 1.00 0.00 C ATOM 818 CZ TYR A 61 -5.865 6.691 2.376 1.00 0.00 C ATOM 819 OH TYR A 61 -6.250 7.710 1.535 1.00 0.00 O ATOM 0 H TYR A 61 -2.682 4.784 6.395 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.570 4.257 6.790 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.689 3.139 4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.367 2.681 4.892 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.178 4.238 4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.095 5.281 3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.868 6.058 2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.778 7.105 2.164 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.136 7.513 1.166 1.00 0.00 H new ATOM 829 N THR A 62 -5.198 2.013 7.847 1.00 0.00 N ATOM 830 CA THR A 62 -4.962 0.895 8.751 1.00 0.00 C ATOM 831 C THR A 62 -5.467 -0.412 8.152 1.00 0.00 C ATOM 832 O THR A 62 -6.652 -0.570 7.857 1.00 0.00 O ATOM 833 CB THR A 62 -5.637 1.119 10.116 1.00 0.00 C ATOM 834 OG1 THR A 62 -5.107 2.302 10.727 1.00 0.00 O ATOM 835 CG2 THR A 62 -5.395 -0.072 11.033 1.00 0.00 C ATOM 0 H THR A 62 -6.182 2.203 7.659 1.00 0.00 H new ATOM 0 HA THR A 62 -3.884 0.831 8.898 1.00 0.00 H new ATOM 0 HB THR A 62 -6.710 1.232 9.959 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.539 2.444 11.595 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.879 0.104 11.993 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.808 -0.972 10.577 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.324 -0.202 11.185 1.00 0.00 H new