USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 62:sc= 0.108 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 3:sc= 0.329 USER MOD Single : A 12 SER OG : rot 180:sc= 0.118 USER MOD Single : A 13 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.262 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -134:sc= -13! (180deg=-17.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.287 USER MOD Single : A 23 TYR OH : rot 150:sc= 0 USER MOD Single : A 26 THR OG1 : rot -83:sc= 0.251 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 120:sc= -1 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0361 X(o=-0.036,f=-0.4) USER MOD Single : A 58 MET CE :methyl 168:sc= -1.21 (180deg=-1.81!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -2.844 -43.554 7.019 1.00 0.00 N ATOM 2 CA HIS A 1 -1.412 -43.398 7.405 1.00 0.00 C ATOM 3 C HIS A 1 -1.000 -41.925 7.337 1.00 0.00 C ATOM 4 O HIS A 1 -1.032 -41.309 6.290 1.00 0.00 O ATOM 5 CB HIS A 1 -0.632 -44.219 6.377 1.00 0.00 C ATOM 6 CG HIS A 1 -0.662 -45.672 6.765 1.00 0.00 C ATOM 7 ND1 HIS A 1 -1.447 -46.599 6.098 1.00 0.00 N ATOM 8 CD2 HIS A 1 -0.007 -46.373 7.747 1.00 0.00 C ATOM 9 CE1 HIS A 1 -1.246 -47.795 6.681 1.00 0.00 C ATOM 10 NE2 HIS A 1 -0.378 -47.714 7.692 1.00 0.00 N ATOM 0 H1 HIS A 1 -3.110 -44.558 7.070 1.00 0.00 H new ATOM 0 H2 HIS A 1 -3.441 -43.005 7.670 1.00 0.00 H new ATOM 0 H3 HIS A 1 -2.981 -43.208 6.048 1.00 0.00 H new ATOM 0 HA HIS A 1 -1.223 -43.733 8.425 1.00 0.00 H new ATOM 0 HB2 HIS A 1 -1.067 -44.088 5.386 1.00 0.00 H new ATOM 0 HB3 HIS A 1 0.398 -43.868 6.322 1.00 0.00 H new ATOM 0 HD2 HIS A 1 0.690 -45.949 8.455 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -1.728 -48.709 6.369 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -0.056 -48.471 8.294 1.00 0.00 H new ATOM 20 N PHE A 2 -0.612 -41.357 8.446 1.00 0.00 N ATOM 21 CA PHE A 2 -0.196 -39.926 8.446 1.00 0.00 C ATOM 22 C PHE A 2 0.868 -39.685 7.371 1.00 0.00 C ATOM 23 O PHE A 2 1.523 -40.601 6.917 1.00 0.00 O ATOM 24 CB PHE A 2 0.389 -39.687 9.839 1.00 0.00 C ATOM 25 CG PHE A 2 -0.127 -38.379 10.391 1.00 0.00 C ATOM 26 CD1 PHE A 2 0.409 -37.168 9.940 1.00 0.00 C ATOM 27 CD2 PHE A 2 -1.140 -38.378 11.358 1.00 0.00 C ATOM 28 CE1 PHE A 2 -0.067 -35.955 10.455 1.00 0.00 C ATOM 29 CE2 PHE A 2 -1.616 -37.167 11.873 1.00 0.00 C ATOM 30 CZ PHE A 2 -1.080 -35.955 11.422 1.00 0.00 C ATOM 0 H PHE A 2 -0.565 -41.822 9.352 1.00 0.00 H new ATOM 0 HA PHE A 2 -1.026 -39.254 8.229 1.00 0.00 H new ATOM 0 HB2 PHE A 2 0.116 -40.506 10.504 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.478 -39.667 9.788 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.190 -37.168 9.194 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -1.554 -39.313 11.707 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.347 -35.020 10.106 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -2.397 -37.167 12.619 1.00 0.00 H new ATOM 0 HZ PHE A 2 -1.447 -35.020 11.820 1.00 0.00 H new ATOM 40 N ALA A 3 1.044 -38.459 6.960 1.00 0.00 N ATOM 41 CA ALA A 3 2.065 -38.164 5.915 1.00 0.00 C ATOM 42 C ALA A 3 2.378 -36.665 5.889 1.00 0.00 C ATOM 43 O ALA A 3 3.368 -36.219 6.437 1.00 0.00 O ATOM 44 CB ALA A 3 1.419 -38.598 4.599 1.00 0.00 C ATOM 0 H ALA A 3 0.526 -37.650 7.302 1.00 0.00 H new ATOM 0 HA ALA A 3 3.006 -38.682 6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.110 -38.413 3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.183 -39.661 4.643 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.503 -38.030 4.439 1.00 0.00 H new ATOM 50 N ALA A 4 1.544 -35.884 5.260 1.00 0.00 N ATOM 51 CA ALA A 4 1.798 -34.416 5.200 1.00 0.00 C ATOM 52 C ALA A 4 1.024 -33.698 6.311 1.00 0.00 C ATOM 53 O ALA A 4 0.377 -34.318 7.131 1.00 0.00 O ATOM 54 CB ALA A 4 1.289 -33.981 3.825 1.00 0.00 C ATOM 0 H ALA A 4 0.698 -36.198 4.785 1.00 0.00 H new ATOM 0 HA ALA A 4 2.852 -34.174 5.340 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.441 -32.909 3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.836 -34.515 3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.226 -34.209 3.742 1.00 0.00 H new ATOM 60 N ASP A 5 1.089 -32.395 6.345 1.00 0.00 N ATOM 61 CA ASP A 5 0.360 -31.638 7.402 1.00 0.00 C ATOM 62 C ASP A 5 -0.897 -30.986 6.819 1.00 0.00 C ATOM 63 O ASP A 5 -0.839 -29.936 6.212 1.00 0.00 O ATOM 64 CB ASP A 5 1.347 -30.570 7.875 1.00 0.00 C ATOM 65 CG ASP A 5 2.313 -31.181 8.892 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.907 -32.199 8.579 1.00 0.00 O ATOM 67 OD2 ASP A 5 2.443 -30.619 9.967 1.00 0.00 O ATOM 0 H ASP A 5 1.616 -31.822 5.686 1.00 0.00 H new ATOM 0 HA ASP A 5 0.032 -32.282 8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.901 -30.171 7.026 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.808 -29.736 8.325 1.00 0.00 H new ATOM 72 N CYS A 6 -2.035 -31.600 7.001 1.00 0.00 N ATOM 73 CA CYS A 6 -3.293 -31.012 6.459 1.00 0.00 C ATOM 74 C CYS A 6 -3.956 -30.129 7.519 1.00 0.00 C ATOM 75 O CYS A 6 -3.789 -30.335 8.704 1.00 0.00 O ATOM 76 CB CYS A 6 -4.181 -32.210 6.122 1.00 0.00 C ATOM 77 SG CYS A 6 -3.881 -32.720 4.411 1.00 0.00 S ATOM 0 H CYS A 6 -2.148 -32.482 7.501 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.115 -30.384 5.586 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.970 -33.036 6.801 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.230 -31.948 6.256 1.00 0.00 H new ATOM 82 N CYS A 7 -4.705 -29.144 7.103 1.00 0.00 N ATOM 83 CA CYS A 7 -5.370 -28.250 8.088 1.00 0.00 C ATOM 84 C CYS A 7 -6.754 -28.794 8.452 1.00 0.00 C ATOM 85 O CYS A 7 -7.492 -29.259 7.607 1.00 0.00 O ATOM 86 CB CYS A 7 -5.504 -26.906 7.373 1.00 0.00 C ATOM 87 SG CYS A 7 -4.170 -25.796 7.891 1.00 0.00 S ATOM 0 H CYS A 7 -4.884 -28.921 6.124 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.804 -28.170 9.016 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.468 -27.053 6.294 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.471 -26.458 7.601 1.00 0.00 H new ATOM 92 N THR A 8 -7.116 -28.721 9.703 1.00 0.00 N ATOM 93 CA THR A 8 -8.460 -29.214 10.122 1.00 0.00 C ATOM 94 C THR A 8 -9.418 -28.026 10.225 1.00 0.00 C ATOM 95 O THR A 8 -10.624 -28.178 10.253 1.00 0.00 O ATOM 96 CB THR A 8 -8.248 -29.859 11.494 1.00 0.00 C ATOM 97 OG1 THR A 8 -7.123 -29.266 12.128 1.00 0.00 O ATOM 98 CG2 THR A 8 -8.007 -31.360 11.324 1.00 0.00 C ATOM 0 H THR A 8 -6.540 -28.341 10.454 1.00 0.00 H new ATOM 0 HA THR A 8 -8.888 -29.924 9.415 1.00 0.00 H new ATOM 0 HB THR A 8 -9.135 -29.703 12.108 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.292 -28.311 12.267 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.856 -31.817 12.302 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.871 -31.815 10.840 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.121 -31.519 10.709 1.00 0.00 H new ATOM 106 N SER A 9 -8.876 -26.841 10.270 1.00 0.00 N ATOM 107 CA SER A 9 -9.721 -25.619 10.360 1.00 0.00 C ATOM 108 C SER A 9 -8.905 -24.411 9.898 1.00 0.00 C ATOM 109 O SER A 9 -7.992 -24.537 9.106 1.00 0.00 O ATOM 110 CB SER A 9 -10.082 -25.492 11.840 1.00 0.00 C ATOM 111 OG SER A 9 -11.403 -24.990 11.964 1.00 0.00 O ATOM 0 H SER A 9 -7.871 -26.666 10.248 1.00 0.00 H new ATOM 0 HA SER A 9 -10.613 -25.673 9.736 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.003 -26.463 12.329 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.380 -24.825 12.341 1.00 0.00 H new ATOM 0 HG SER A 9 -11.635 -24.910 12.913 1.00 0.00 H new ATOM 117 N TYR A 10 -9.212 -23.243 10.388 1.00 0.00 N ATOM 118 CA TYR A 10 -8.436 -22.040 9.973 1.00 0.00 C ATOM 119 C TYR A 10 -8.395 -21.021 11.114 1.00 0.00 C ATOM 120 O TYR A 10 -9.137 -21.116 12.072 1.00 0.00 O ATOM 121 CB TYR A 10 -9.184 -21.476 8.764 1.00 0.00 C ATOM 122 CG TYR A 10 -9.225 -22.520 7.672 1.00 0.00 C ATOM 123 CD1 TYR A 10 -8.035 -22.965 7.083 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.452 -23.045 7.252 1.00 0.00 C ATOM 125 CE1 TYR A 10 -8.073 -23.935 6.074 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.491 -24.014 6.243 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.301 -24.459 5.654 1.00 0.00 C ATOM 128 OH TYR A 10 -9.342 -25.415 4.659 1.00 0.00 O ATOM 0 H TYR A 10 -9.963 -23.069 11.055 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.401 -22.279 9.727 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.197 -21.191 9.049 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.689 -20.575 8.403 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.088 -22.560 7.407 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.370 -22.702 7.707 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.155 -24.279 5.620 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.438 -24.418 5.919 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.428 -25.650 4.394 1.00 0.00 H new ATOM 138 N ILE A 11 -7.530 -20.051 11.020 1.00 0.00 N ATOM 139 CA ILE A 11 -7.435 -19.030 12.101 1.00 0.00 C ATOM 140 C ILE A 11 -8.746 -18.239 12.189 1.00 0.00 C ATOM 141 O ILE A 11 -9.585 -18.314 11.313 1.00 0.00 O ATOM 142 CB ILE A 11 -6.260 -18.122 11.708 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.689 -17.145 10.609 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.085 -18.965 11.208 1.00 0.00 C ATOM 145 CD1 ILE A 11 -6.900 -17.897 9.295 1.00 0.00 C ATOM 0 H ILE A 11 -6.884 -19.920 10.241 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.272 -19.477 13.081 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.951 -17.559 12.588 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.609 -16.639 10.900 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.929 -16.375 10.479 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.258 -18.310 10.933 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.762 -19.644 11.997 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.396 -19.542 10.337 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.205 -17.195 8.519 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.970 -18.382 9.000 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.676 -18.651 9.428 1.00 0.00 H new ATOM 157 N SER A 12 -8.940 -17.497 13.248 1.00 0.00 N ATOM 158 CA SER A 12 -10.208 -16.723 13.395 1.00 0.00 C ATOM 159 C SER A 12 -10.043 -15.295 12.867 1.00 0.00 C ATOM 160 O SER A 12 -10.967 -14.506 12.888 1.00 0.00 O ATOM 161 CB SER A 12 -10.492 -16.706 14.898 1.00 0.00 C ATOM 162 OG SER A 12 -9.278 -16.853 15.621 1.00 0.00 O ATOM 0 H SER A 12 -8.277 -17.394 14.016 1.00 0.00 H new ATOM 0 HA SER A 12 -11.022 -17.172 12.826 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.979 -15.771 15.174 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.179 -17.512 15.156 1.00 0.00 H new ATOM 0 HG SER A 12 -9.466 -16.840 16.583 1.00 0.00 H new ATOM 168 N GLN A 13 -8.879 -14.956 12.396 1.00 0.00 N ATOM 169 CA GLN A 13 -8.660 -13.577 11.868 1.00 0.00 C ATOM 170 C GLN A 13 -7.518 -13.586 10.851 1.00 0.00 C ATOM 171 O GLN A 13 -6.860 -14.586 10.663 1.00 0.00 O ATOM 172 CB GLN A 13 -8.288 -12.734 13.090 1.00 0.00 C ATOM 173 CG GLN A 13 -7.308 -13.510 13.973 1.00 0.00 C ATOM 174 CD GLN A 13 -6.879 -12.633 15.152 1.00 0.00 C ATOM 175 OE1 GLN A 13 -5.704 -12.503 15.432 1.00 0.00 O ATOM 176 NE2 GLN A 13 -7.791 -12.022 15.860 1.00 0.00 N ATOM 0 H GLN A 13 -8.067 -15.572 12.352 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.540 -13.182 11.360 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.839 -11.793 12.772 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.184 -12.484 13.658 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.776 -14.424 14.338 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.436 -13.808 13.391 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.777 -12.131 15.625 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.517 -11.436 16.648 1.00 0.00 H new ATOM 185 N SER A 14 -7.274 -12.485 10.193 1.00 0.00 N ATOM 186 CA SER A 14 -6.168 -12.453 9.193 1.00 0.00 C ATOM 187 C SER A 14 -4.938 -13.175 9.753 1.00 0.00 C ATOM 188 O SER A 14 -4.695 -13.170 10.943 1.00 0.00 O ATOM 189 CB SER A 14 -5.870 -10.970 8.975 1.00 0.00 C ATOM 190 OG SER A 14 -5.468 -10.761 7.629 1.00 0.00 O ATOM 0 H SER A 14 -7.789 -11.611 10.303 1.00 0.00 H new ATOM 0 HA SER A 14 -6.435 -12.951 8.261 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.755 -10.374 9.198 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.084 -10.642 9.656 1.00 0.00 H new ATOM 0 HG SER A 14 -5.278 -9.810 7.488 1.00 0.00 H new ATOM 196 N ILE A 15 -4.165 -13.799 8.908 1.00 0.00 N ATOM 197 CA ILE A 15 -2.959 -14.523 9.405 1.00 0.00 C ATOM 198 C ILE A 15 -1.884 -13.526 9.843 1.00 0.00 C ATOM 199 O ILE A 15 -1.646 -12.537 9.180 1.00 0.00 O ATOM 200 CB ILE A 15 -2.460 -15.338 8.211 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.431 -16.489 7.930 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.068 -15.897 8.527 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.279 -17.566 9.006 1.00 0.00 C ATOM 0 H ILE A 15 -4.314 -13.840 7.900 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.188 -15.151 10.266 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.403 -14.699 7.330 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.456 -16.118 7.916 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.232 -16.914 6.946 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.708 -16.479 7.678 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.380 -15.074 8.720 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.124 -16.537 9.408 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.971 -18.383 8.803 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.257 -17.946 8.999 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.500 -17.137 9.984 1.00 0.00 H new ATOM 215 N PRO A 16 -1.262 -13.833 10.946 1.00 0.00 N ATOM 216 CA PRO A 16 -0.186 -12.966 11.480 1.00 0.00 C ATOM 217 C PRO A 16 1.087 -13.166 10.663 1.00 0.00 C ATOM 218 O PRO A 16 1.935 -13.960 11.004 1.00 0.00 O ATOM 219 CB PRO A 16 0.002 -13.466 12.906 1.00 0.00 C ATOM 220 CG PRO A 16 -0.468 -14.887 12.886 1.00 0.00 C ATOM 221 CD PRO A 16 -1.499 -15.007 11.793 1.00 0.00 C ATOM 0 HA PRO A 16 -0.422 -11.903 11.439 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.046 -13.400 13.212 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.576 -12.870 13.612 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.366 -15.564 12.702 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.897 -15.163 13.850 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.379 -15.934 11.232 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.511 -15.008 12.198 1.00 0.00 H new ATOM 229 N CYS A 17 1.221 -12.452 9.584 1.00 0.00 N ATOM 230 CA CYS A 17 2.441 -12.600 8.742 1.00 0.00 C ATOM 231 C CYS A 17 3.686 -12.256 9.563 1.00 0.00 C ATOM 232 O CYS A 17 4.758 -12.792 9.348 1.00 0.00 O ATOM 233 CB CYS A 17 2.268 -11.587 7.607 1.00 0.00 C ATOM 234 SG CYS A 17 0.637 -11.772 6.842 1.00 0.00 S ATOM 0 H CYS A 17 0.540 -11.772 9.247 1.00 0.00 H new ATOM 0 HA CYS A 17 2.563 -13.617 8.370 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.383 -10.574 7.994 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.047 -11.733 6.859 1.00 0.00 H new ATOM 239 N SER A 18 3.553 -11.358 10.500 1.00 0.00 N ATOM 240 CA SER A 18 4.733 -10.963 11.327 1.00 0.00 C ATOM 241 C SER A 18 5.181 -12.118 12.218 1.00 0.00 C ATOM 242 O SER A 18 6.301 -12.159 12.686 1.00 0.00 O ATOM 243 CB SER A 18 4.245 -9.788 12.175 1.00 0.00 C ATOM 244 OG SER A 18 5.356 -8.996 12.572 1.00 0.00 O ATOM 0 H SER A 18 2.681 -10.881 10.730 1.00 0.00 H new ATOM 0 HA SER A 18 5.592 -10.697 10.711 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.539 -9.183 11.606 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.714 -10.155 13.053 1.00 0.00 H new ATOM 0 HG SER A 18 5.043 -8.242 13.114 1.00 0.00 H new ATOM 250 N LEU A 19 4.313 -13.048 12.458 1.00 0.00 N ATOM 251 CA LEU A 19 4.680 -14.203 13.325 1.00 0.00 C ATOM 252 C LEU A 19 4.952 -15.459 12.488 1.00 0.00 C ATOM 253 O LEU A 19 4.747 -16.566 12.942 1.00 0.00 O ATOM 254 CB LEU A 19 3.467 -14.411 14.233 1.00 0.00 C ATOM 255 CG LEU A 19 3.884 -14.206 15.691 1.00 0.00 C ATOM 256 CD1 LEU A 19 2.702 -13.643 16.487 1.00 0.00 C ATOM 257 CD2 LEU A 19 4.312 -15.546 16.293 1.00 0.00 C ATOM 0 H LEU A 19 3.361 -13.064 12.093 1.00 0.00 H new ATOM 0 HA LEU A 19 5.592 -14.013 13.890 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.675 -13.710 13.967 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.064 -15.414 14.096 1.00 0.00 H new ATOM 0 HG LEU A 19 4.718 -13.505 15.734 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.999 -13.497 17.525 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.397 -12.688 16.059 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.868 -14.343 16.443 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.609 -15.400 17.332 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.479 -16.247 16.249 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.154 -15.947 15.728 1.00 0.00 H new ATOM 269 N MET A 20 5.413 -15.308 11.269 1.00 0.00 N ATOM 270 CA MET A 20 5.690 -16.519 10.435 1.00 0.00 C ATOM 271 C MET A 20 6.945 -16.313 9.583 1.00 0.00 C ATOM 272 O MET A 20 7.157 -15.262 9.012 1.00 0.00 O ATOM 273 CB MET A 20 4.476 -16.699 9.510 1.00 0.00 C ATOM 274 CG MET A 20 3.171 -16.337 10.226 1.00 0.00 C ATOM 275 SD MET A 20 2.616 -17.733 11.233 1.00 0.00 S ATOM 276 CE MET A 20 0.850 -17.579 10.865 1.00 0.00 C ATOM 0 H MET A 20 5.607 -14.412 10.821 1.00 0.00 H new ATOM 0 HA MET A 20 5.854 -17.391 11.069 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.594 -16.072 8.626 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.429 -17.732 9.165 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.322 -15.460 10.856 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.405 -16.077 9.496 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.277 -17.659 11.789 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.658 -16.611 10.402 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.550 -18.374 10.182 1.00 0.00 H new ATOM 286 N LYS A 21 7.769 -17.320 9.484 1.00 0.00 N ATOM 287 CA LYS A 21 9.002 -17.202 8.658 1.00 0.00 C ATOM 288 C LYS A 21 8.740 -17.745 7.247 1.00 0.00 C ATOM 289 O LYS A 21 9.287 -17.262 6.276 1.00 0.00 O ATOM 290 CB LYS A 21 10.046 -18.056 9.382 1.00 0.00 C ATOM 291 CG LYS A 21 11.188 -18.404 8.423 1.00 0.00 C ATOM 292 CD LYS A 21 11.741 -17.122 7.798 1.00 0.00 C ATOM 293 CE LYS A 21 13.230 -16.993 8.133 1.00 0.00 C ATOM 294 NZ LYS A 21 13.676 -15.761 7.424 1.00 0.00 N ATOM 0 H LYS A 21 7.640 -18.222 9.942 1.00 0.00 H new ATOM 0 HA LYS A 21 9.332 -16.169 8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.436 -17.516 10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.585 -18.969 9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.978 -18.930 8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.830 -19.076 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.601 -17.141 6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.196 -16.256 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.387 -16.909 9.208 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.788 -17.867 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.688 -15.604 7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.520 -15.873 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.132 -14.945 7.770 1.00 0.00 H new ATOM 308 N SER A 22 7.909 -18.749 7.127 1.00 0.00 N ATOM 309 CA SER A 22 7.622 -19.319 5.777 1.00 0.00 C ATOM 310 C SER A 22 6.181 -19.834 5.709 1.00 0.00 C ATOM 311 O SER A 22 5.440 -19.759 6.666 1.00 0.00 O ATOM 312 CB SER A 22 8.607 -20.476 5.621 1.00 0.00 C ATOM 313 OG SER A 22 8.323 -21.180 4.421 1.00 0.00 O ATOM 0 H SER A 22 7.419 -19.197 7.902 1.00 0.00 H new ATOM 0 HA SER A 22 7.730 -18.576 4.987 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.629 -20.097 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.533 -21.148 6.476 1.00 0.00 H new ATOM 0 HG SER A 22 8.956 -21.922 4.319 1.00 0.00 H new ATOM 319 N TYR A 23 5.780 -20.353 4.580 1.00 0.00 N ATOM 320 CA TYR A 23 4.389 -20.880 4.442 1.00 0.00 C ATOM 321 C TYR A 23 4.370 -22.028 3.427 1.00 0.00 C ATOM 322 O TYR A 23 5.211 -22.099 2.553 1.00 0.00 O ATOM 323 CB TYR A 23 3.564 -19.695 3.937 1.00 0.00 C ATOM 324 CG TYR A 23 3.889 -19.432 2.485 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.171 -20.087 1.477 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.908 -18.534 2.147 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.473 -19.843 0.133 1.00 0.00 C ATOM 328 CE2 TYR A 23 5.208 -18.290 0.803 1.00 0.00 C ATOM 329 CZ TYR A 23 4.491 -18.945 -0.205 1.00 0.00 C ATOM 330 OH TYR A 23 4.789 -18.705 -1.531 1.00 0.00 O ATOM 0 H TYR A 23 6.357 -20.436 3.743 1.00 0.00 H new ATOM 0 HA TYR A 23 3.994 -21.274 5.379 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.500 -19.905 4.050 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.779 -18.809 4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.385 -20.780 1.737 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.463 -18.029 2.924 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.920 -20.349 -0.645 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.993 -17.596 0.543 1.00 0.00 H new ATOM 0 HH TYR A 23 5.125 -17.790 -1.630 1.00 0.00 H new ATOM 340 N PHE A 24 3.424 -22.927 3.521 1.00 0.00 N ATOM 341 CA PHE A 24 3.390 -24.050 2.536 1.00 0.00 C ATOM 342 C PHE A 24 1.952 -24.500 2.265 1.00 0.00 C ATOM 343 O PHE A 24 1.100 -24.456 3.129 1.00 0.00 O ATOM 344 CB PHE A 24 4.213 -25.177 3.177 1.00 0.00 C ATOM 345 CG PHE A 24 3.364 -25.984 4.138 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.415 -26.895 3.650 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.537 -25.831 5.519 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.643 -27.647 4.543 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.763 -26.583 6.412 1.00 0.00 C ATOM 350 CZ PHE A 24 1.816 -27.491 5.924 1.00 0.00 C ATOM 0 H PHE A 24 2.685 -22.934 4.224 1.00 0.00 H new ATOM 0 HA PHE A 24 3.799 -23.753 1.570 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.611 -25.830 2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.067 -24.754 3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.280 -27.016 2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.269 -25.132 5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.913 -28.348 4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.897 -26.462 7.477 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.219 -28.071 6.612 1.00 0.00 H new ATOM 360 N GLU A 25 1.683 -24.941 1.065 1.00 0.00 N ATOM 361 CA GLU A 25 0.309 -25.407 0.728 1.00 0.00 C ATOM 362 C GLU A 25 0.194 -26.906 1.011 1.00 0.00 C ATOM 363 O GLU A 25 1.159 -27.639 0.921 1.00 0.00 O ATOM 364 CB GLU A 25 0.148 -25.125 -0.767 1.00 0.00 C ATOM 365 CG GLU A 25 1.088 -26.033 -1.563 1.00 0.00 C ATOM 366 CD GLU A 25 0.992 -25.691 -3.051 1.00 0.00 C ATOM 367 OE1 GLU A 25 0.790 -24.528 -3.360 1.00 0.00 O ATOM 368 OE2 GLU A 25 1.124 -26.598 -3.857 1.00 0.00 O ATOM 0 H GLU A 25 2.358 -24.998 0.303 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.461 -24.906 1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.885 -25.297 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.372 -24.079 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.113 -25.906 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.824 -27.078 -1.402 1.00 0.00 H new ATOM 375 N THR A 26 -0.973 -27.371 1.359 1.00 0.00 N ATOM 376 CA THR A 26 -1.130 -28.823 1.654 1.00 0.00 C ATOM 377 C THR A 26 -1.326 -29.620 0.361 1.00 0.00 C ATOM 378 O THR A 26 -1.207 -29.095 -0.728 1.00 0.00 O ATOM 379 CB THR A 26 -2.378 -28.918 2.535 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.511 -28.498 1.789 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.209 -28.021 3.762 1.00 0.00 C ATOM 0 H THR A 26 -1.821 -26.812 1.452 1.00 0.00 H new ATOM 0 HA THR A 26 -0.249 -29.235 2.145 1.00 0.00 H new ATOM 0 HB THR A 26 -2.518 -29.949 2.861 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.573 -27.520 1.811 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.098 -28.090 4.388 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.338 -28.344 4.332 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.070 -26.989 3.442 1.00 0.00 H new ATOM 389 N SER A 27 -1.623 -30.885 0.479 1.00 0.00 N ATOM 390 CA SER A 27 -1.824 -31.723 -0.739 1.00 0.00 C ATOM 391 C SER A 27 -3.308 -31.777 -1.112 1.00 0.00 C ATOM 392 O SER A 27 -4.171 -31.823 -0.259 1.00 0.00 O ATOM 393 CB SER A 27 -1.326 -33.112 -0.343 1.00 0.00 C ATOM 394 OG SER A 27 -0.032 -33.005 0.230 1.00 0.00 O ATOM 0 H SER A 27 -1.735 -31.376 1.366 1.00 0.00 H new ATOM 0 HA SER A 27 -1.295 -31.325 -1.605 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.014 -33.567 0.369 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.296 -33.762 -1.217 1.00 0.00 H new ATOM 0 HG SER A 27 0.287 -33.896 0.486 1.00 0.00 H new ATOM 400 N SER A 28 -3.610 -31.773 -2.381 1.00 0.00 N ATOM 401 CA SER A 28 -5.038 -31.825 -2.810 1.00 0.00 C ATOM 402 C SER A 28 -5.640 -33.198 -2.493 1.00 0.00 C ATOM 403 O SER A 28 -6.818 -33.428 -2.681 1.00 0.00 O ATOM 404 CB SER A 28 -5.010 -31.585 -4.320 1.00 0.00 C ATOM 405 OG SER A 28 -4.533 -32.752 -4.977 1.00 0.00 O ATOM 0 H SER A 28 -2.930 -31.736 -3.140 1.00 0.00 H new ATOM 0 HA SER A 28 -5.649 -31.086 -2.293 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.009 -31.336 -4.678 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.367 -30.736 -4.552 1.00 0.00 H new ATOM 0 HG SER A 28 -4.517 -32.599 -5.945 1.00 0.00 H new ATOM 411 N GLU A 29 -4.841 -34.109 -2.015 1.00 0.00 N ATOM 412 CA GLU A 29 -5.369 -35.465 -1.688 1.00 0.00 C ATOM 413 C GLU A 29 -6.230 -35.409 -0.424 1.00 0.00 C ATOM 414 O GLU A 29 -7.083 -36.245 -0.206 1.00 0.00 O ATOM 415 CB GLU A 29 -4.130 -36.332 -1.455 1.00 0.00 C ATOM 416 CG GLU A 29 -4.564 -37.768 -1.157 1.00 0.00 C ATOM 417 CD GLU A 29 -3.358 -38.704 -1.278 1.00 0.00 C ATOM 418 OE1 GLU A 29 -2.279 -38.213 -1.563 1.00 0.00 O ATOM 419 OE2 GLU A 29 -3.536 -39.894 -1.080 1.00 0.00 O ATOM 0 H GLU A 29 -3.846 -33.975 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.999 -35.862 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.486 -36.310 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.547 -35.937 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.986 -37.830 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.346 -38.074 -1.852 1.00 0.00 H new ATOM 426 N CYS A 30 -6.017 -34.426 0.409 1.00 0.00 N ATOM 427 CA CYS A 30 -6.831 -34.321 1.656 1.00 0.00 C ATOM 428 C CYS A 30 -8.271 -33.924 1.312 1.00 0.00 C ATOM 429 O CYS A 30 -8.526 -33.301 0.302 1.00 0.00 O ATOM 430 CB CYS A 30 -6.155 -33.222 2.478 1.00 0.00 C ATOM 431 SG CYS A 30 -5.431 -33.940 3.974 1.00 0.00 S ATOM 0 H CYS A 30 -5.318 -33.694 0.282 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.881 -35.265 2.199 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.381 -32.735 1.885 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.882 -32.455 2.746 1.00 0.00 H new ATOM 436 N SER A 31 -9.213 -34.282 2.143 1.00 0.00 N ATOM 437 CA SER A 31 -10.633 -33.924 1.854 1.00 0.00 C ATOM 438 C SER A 31 -10.789 -32.406 1.770 1.00 0.00 C ATOM 439 O SER A 31 -11.775 -31.895 1.276 1.00 0.00 O ATOM 440 CB SER A 31 -11.435 -34.482 3.030 1.00 0.00 C ATOM 441 OG SER A 31 -12.685 -33.811 3.112 1.00 0.00 O ATOM 0 H SER A 31 -9.062 -34.805 3.006 1.00 0.00 H new ATOM 0 HA SER A 31 -10.973 -34.331 0.902 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.593 -35.553 2.901 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.878 -34.351 3.958 1.00 0.00 H new ATOM 0 HG SER A 31 -13.200 -34.170 3.865 1.00 0.00 H new ATOM 447 N LYS A 32 -9.817 -31.686 2.244 1.00 0.00 N ATOM 448 CA LYS A 32 -9.891 -30.198 2.193 1.00 0.00 C ATOM 449 C LYS A 32 -8.479 -29.607 2.145 1.00 0.00 C ATOM 450 O LYS A 32 -7.641 -29.938 2.960 1.00 0.00 O ATOM 451 CB LYS A 32 -10.607 -29.788 3.481 1.00 0.00 C ATOM 452 CG LYS A 32 -9.656 -29.936 4.670 1.00 0.00 C ATOM 453 CD LYS A 32 -10.464 -30.243 5.931 1.00 0.00 C ATOM 454 CE LYS A 32 -11.120 -28.959 6.444 1.00 0.00 C ATOM 455 NZ LYS A 32 -12.582 -29.245 6.429 1.00 0.00 N ATOM 0 H LYS A 32 -8.969 -32.063 2.667 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.418 -29.838 1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.951 -28.757 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.491 -30.408 3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.940 -30.736 4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.082 -29.020 4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.226 -30.991 5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.814 -30.663 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.776 -28.713 7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.877 -28.109 5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.102 -28.411 6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.882 -29.469 5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.784 -30.055 7.050 1.00 0.00 H new ATOM 469 N PRO A 33 -8.261 -28.749 1.185 1.00 0.00 N ATOM 470 CA PRO A 33 -6.933 -28.109 1.026 1.00 0.00 C ATOM 471 C PRO A 33 -6.711 -27.064 2.121 1.00 0.00 C ATOM 472 O PRO A 33 -7.495 -26.934 3.039 1.00 0.00 O ATOM 473 CB PRO A 33 -7.017 -27.445 -0.344 1.00 0.00 C ATOM 474 CG PRO A 33 -8.478 -27.216 -0.575 1.00 0.00 C ATOM 475 CD PRO A 33 -9.218 -28.300 0.167 1.00 0.00 C ATOM 0 HA PRO A 33 -6.106 -28.814 1.104 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.463 -26.507 -0.362 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.590 -28.082 -1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.775 -26.231 -0.215 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.710 -27.250 -1.639 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.134 -27.920 0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.505 -29.115 -0.498 1.00 0.00 H new ATOM 483 N GLY A 34 -5.645 -26.316 2.030 1.00 0.00 N ATOM 484 CA GLY A 34 -5.370 -25.279 3.062 1.00 0.00 C ATOM 485 C GLY A 34 -3.865 -25.017 3.125 1.00 0.00 C ATOM 486 O GLY A 34 -3.067 -25.844 2.741 1.00 0.00 O ATOM 0 H GLY A 34 -4.952 -26.379 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.901 -24.359 2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.734 -25.611 4.034 1.00 0.00 H new ATOM 490 N VAL A 35 -3.471 -23.873 3.606 1.00 0.00 N ATOM 491 CA VAL A 35 -2.014 -23.564 3.692 1.00 0.00 C ATOM 492 C VAL A 35 -1.621 -23.305 5.148 1.00 0.00 C ATOM 493 O VAL A 35 -2.259 -22.543 5.848 1.00 0.00 O ATOM 494 CB VAL A 35 -1.818 -22.306 2.839 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.980 -21.337 3.073 1.00 0.00 C ATOM 496 CG2 VAL A 35 -0.502 -21.622 3.219 1.00 0.00 C ATOM 0 H VAL A 35 -4.092 -23.138 3.944 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.392 -24.386 3.338 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.788 -22.590 1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.837 -20.444 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.917 -21.819 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.014 -21.057 4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.367 -20.728 2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.528 -21.343 4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.328 -22.307 3.046 1.00 0.00 H new ATOM 506 N ILE A 36 -0.575 -23.933 5.608 1.00 0.00 N ATOM 507 CA ILE A 36 -0.143 -23.722 7.018 1.00 0.00 C ATOM 508 C ILE A 36 1.128 -22.874 7.046 1.00 0.00 C ATOM 509 O ILE A 36 2.058 -23.109 6.301 1.00 0.00 O ATOM 510 CB ILE A 36 0.126 -25.126 7.570 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.198 -25.768 7.990 1.00 0.00 C ATOM 512 CG2 ILE A 36 1.055 -25.039 8.786 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.918 -27.029 8.811 1.00 0.00 C ATOM 0 H ILE A 36 -0.001 -24.582 5.070 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.892 -23.197 7.611 1.00 0.00 H new ATOM 0 HB ILE A 36 0.601 -25.730 6.797 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.786 -25.063 8.577 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.788 -26.019 7.109 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.242 -26.041 9.173 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.999 -24.582 8.490 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.585 -24.432 9.560 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.862 -27.486 9.110 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.347 -27.736 8.209 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.345 -26.765 9.700 1.00 0.00 H new ATOM 525 N PHE A 37 1.179 -21.895 7.901 1.00 0.00 N ATOM 526 CA PHE A 37 2.400 -21.046 7.972 1.00 0.00 C ATOM 527 C PHE A 37 3.343 -21.589 9.047 1.00 0.00 C ATOM 528 O PHE A 37 2.919 -21.971 10.120 1.00 0.00 O ATOM 529 CB PHE A 37 1.904 -19.650 8.361 1.00 0.00 C ATOM 530 CG PHE A 37 1.255 -18.975 7.174 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.072 -19.270 6.841 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.976 -18.045 6.411 1.00 0.00 C ATOM 533 CE1 PHE A 37 -0.678 -18.638 5.749 1.00 0.00 C ATOM 534 CE2 PHE A 37 1.370 -17.415 5.318 1.00 0.00 C ATOM 535 CZ PHE A 37 0.043 -17.710 4.988 1.00 0.00 C ATOM 0 H PHE A 37 0.434 -21.645 8.551 1.00 0.00 H new ATOM 0 HA PHE A 37 2.947 -21.032 7.029 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.189 -19.726 9.181 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.738 -19.047 8.720 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.629 -19.986 7.427 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.000 -17.815 6.667 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.702 -18.866 5.493 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.927 -16.701 4.729 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.425 -17.222 4.146 1.00 0.00 H new ATOM 545 N LEU A 38 4.618 -21.619 8.781 1.00 0.00 N ATOM 546 CA LEU A 38 5.576 -22.126 9.800 1.00 0.00 C ATOM 547 C LEU A 38 6.199 -20.940 10.532 1.00 0.00 C ATOM 548 O LEU A 38 6.813 -20.084 9.931 1.00 0.00 O ATOM 549 CB LEU A 38 6.638 -22.889 9.007 1.00 0.00 C ATOM 550 CG LEU A 38 6.641 -24.356 9.442 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.942 -24.445 10.939 1.00 0.00 C ATOM 552 CD2 LEU A 38 5.269 -24.972 9.160 1.00 0.00 C ATOM 0 H LEU A 38 5.038 -21.315 7.903 1.00 0.00 H new ATOM 0 HA LEU A 38 5.103 -22.764 10.547 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.433 -22.815 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.620 -22.447 9.174 1.00 0.00 H new ATOM 0 HG LEU A 38 7.406 -24.899 8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.944 -25.490 11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.919 -24.005 11.141 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.178 -23.903 11.497 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.269 -26.017 9.469 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.505 -24.429 9.716 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.054 -24.909 8.093 1.00 0.00 H new ATOM 564 N THR A 39 6.031 -20.874 11.823 1.00 0.00 N ATOM 565 CA THR A 39 6.600 -19.729 12.587 1.00 0.00 C ATOM 566 C THR A 39 8.017 -20.055 13.055 1.00 0.00 C ATOM 567 O THR A 39 8.338 -21.185 13.365 1.00 0.00 O ATOM 568 CB THR A 39 5.670 -19.550 13.790 1.00 0.00 C ATOM 569 OG1 THR A 39 5.952 -20.552 14.757 1.00 0.00 O ATOM 570 CG2 THR A 39 4.213 -19.672 13.339 1.00 0.00 C ATOM 0 H THR A 39 5.525 -21.562 12.381 1.00 0.00 H new ATOM 0 HA THR A 39 6.665 -18.825 11.982 1.00 0.00 H new ATOM 0 HB THR A 39 5.830 -18.564 14.227 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.226 -20.128 15.597 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.554 -19.544 14.198 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.996 -18.903 12.598 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.049 -20.656 12.900 1.00 0.00 H new ATOM 578 N LYS A 40 8.869 -19.070 13.103 1.00 0.00 N ATOM 579 CA LYS A 40 10.269 -19.323 13.548 1.00 0.00 C ATOM 580 C LYS A 40 10.288 -19.770 15.012 1.00 0.00 C ATOM 581 O LYS A 40 11.185 -20.465 15.448 1.00 0.00 O ATOM 582 CB LYS A 40 10.987 -17.982 13.392 1.00 0.00 C ATOM 583 CG LYS A 40 12.414 -18.105 13.931 1.00 0.00 C ATOM 584 CD LYS A 40 12.794 -16.823 14.675 1.00 0.00 C ATOM 585 CE LYS A 40 14.288 -16.851 15.008 1.00 0.00 C ATOM 586 NZ LYS A 40 14.449 -15.892 16.138 1.00 0.00 N ATOM 0 H LYS A 40 8.659 -18.103 12.854 1.00 0.00 H new ATOM 0 HA LYS A 40 10.747 -20.112 12.967 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.007 -17.687 12.343 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.448 -17.203 13.932 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.488 -18.962 14.601 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.110 -18.281 13.110 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.563 -15.952 14.062 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.208 -16.733 15.590 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.611 -17.853 15.291 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.890 -16.554 14.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.449 -15.856 16.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.141 -14.946 15.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.870 -16.205 16.944 1.00 0.00 H new ATOM 600 N LYS A 41 9.309 -19.370 15.778 1.00 0.00 N ATOM 601 CA LYS A 41 9.276 -19.766 17.216 1.00 0.00 C ATOM 602 C LYS A 41 8.969 -21.257 17.364 1.00 0.00 C ATOM 603 O LYS A 41 9.078 -21.821 18.435 1.00 0.00 O ATOM 604 CB LYS A 41 8.160 -18.924 17.833 1.00 0.00 C ATOM 605 CG LYS A 41 8.519 -18.591 19.281 1.00 0.00 C ATOM 606 CD LYS A 41 7.647 -19.421 20.223 1.00 0.00 C ATOM 607 CE LYS A 41 7.248 -18.570 21.430 1.00 0.00 C ATOM 608 NZ LYS A 41 6.477 -19.494 22.309 1.00 0.00 N ATOM 0 H LYS A 41 8.531 -18.786 15.471 1.00 0.00 H new ATOM 0 HA LYS A 41 10.236 -19.599 17.705 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.022 -18.007 17.260 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.216 -19.468 17.796 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.573 -18.801 19.464 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.368 -17.528 19.470 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.757 -19.769 19.700 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.190 -20.307 20.553 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.125 -18.176 21.943 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.644 -17.715 21.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.167 -18.985 23.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.645 -19.848 21.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.080 -20.295 22.585 1.00 0.00 H new ATOM 622 N GLY A 42 8.593 -21.900 16.299 1.00 0.00 N ATOM 623 CA GLY A 42 8.284 -23.357 16.377 1.00 0.00 C ATOM 624 C GLY A 42 6.772 -23.561 16.502 1.00 0.00 C ATOM 625 O GLY A 42 6.292 -24.139 17.458 1.00 0.00 O ATOM 0 H GLY A 42 8.485 -21.482 15.375 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.656 -23.865 15.487 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.792 -23.800 17.233 1.00 0.00 H new ATOM 629 N ARG A 43 6.017 -23.099 15.543 1.00 0.00 N ATOM 630 CA ARG A 43 4.537 -23.276 15.607 1.00 0.00 C ATOM 631 C ARG A 43 3.961 -23.371 14.192 1.00 0.00 C ATOM 632 O ARG A 43 4.672 -23.252 13.215 1.00 0.00 O ATOM 633 CB ARG A 43 4.017 -22.027 16.320 1.00 0.00 C ATOM 634 CG ARG A 43 2.991 -22.434 17.380 1.00 0.00 C ATOM 635 CD ARG A 43 1.927 -21.342 17.508 1.00 0.00 C ATOM 636 NE ARG A 43 0.934 -21.891 18.475 1.00 0.00 N ATOM 637 CZ ARG A 43 1.141 -21.782 19.760 1.00 0.00 C ATOM 638 NH1 ARG A 43 2.289 -21.347 20.205 1.00 0.00 N ATOM 639 NH2 ARG A 43 0.199 -22.111 20.602 1.00 0.00 N ATOM 0 H ARG A 43 6.360 -22.607 14.718 1.00 0.00 H new ATOM 0 HA ARG A 43 4.249 -24.188 16.130 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.844 -21.491 16.786 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.562 -21.347 15.600 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.525 -23.380 17.105 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.485 -22.589 18.339 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.359 -20.409 17.871 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.464 -21.126 16.545 1.00 0.00 H new ATOM 0 HE ARG A 43 0.091 -22.353 18.132 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.027 -21.091 19.549 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.448 -21.263 21.209 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.698 -22.453 20.256 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.360 -22.026 21.606 1.00 0.00 H new ATOM 653 N GLN A 44 2.680 -23.585 14.074 1.00 0.00 N ATOM 654 CA GLN A 44 2.069 -23.686 12.717 1.00 0.00 C ATOM 655 C GLN A 44 0.645 -23.132 12.731 1.00 0.00 C ATOM 656 O GLN A 44 -0.139 -23.423 13.613 1.00 0.00 O ATOM 657 CB GLN A 44 2.050 -25.181 12.394 1.00 0.00 C ATOM 658 CG GLN A 44 3.424 -25.788 12.682 1.00 0.00 C ATOM 659 CD GLN A 44 3.513 -27.173 12.036 1.00 0.00 C ATOM 660 OE1 GLN A 44 4.565 -27.578 11.584 1.00 0.00 O ATOM 661 NE2 GLN A 44 2.444 -27.920 11.971 1.00 0.00 N ATOM 0 H GLN A 44 2.032 -23.694 14.854 1.00 0.00 H new ATOM 0 HA GLN A 44 2.628 -23.114 11.977 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.288 -25.682 12.991 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.786 -25.333 11.347 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.209 -25.141 12.291 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.581 -25.865 13.758 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.560 -27.580 12.351 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.493 -28.844 11.541 1.00 0.00 H new ATOM 670 N VAL A 45 0.299 -22.344 11.753 1.00 0.00 N ATOM 671 CA VAL A 45 -1.079 -21.780 11.702 1.00 0.00 C ATOM 672 C VAL A 45 -1.855 -22.424 10.553 1.00 0.00 C ATOM 673 O VAL A 45 -1.276 -22.944 9.620 1.00 0.00 O ATOM 674 CB VAL A 45 -0.890 -20.287 11.453 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.247 -19.648 11.157 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.279 -19.636 12.695 1.00 0.00 C ATOM 0 H VAL A 45 0.911 -22.065 10.986 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.641 -21.966 12.617 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.224 -20.140 10.603 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.115 -18.581 10.979 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.683 -20.113 10.273 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.912 -19.794 12.009 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.144 -18.569 12.517 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.944 -19.781 13.546 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.687 -20.094 12.908 1.00 0.00 H new ATOM 686 N CYS A 46 -3.160 -22.395 10.610 1.00 0.00 N ATOM 687 CA CYS A 46 -3.964 -23.014 9.516 1.00 0.00 C ATOM 688 C CYS A 46 -4.773 -21.941 8.789 1.00 0.00 C ATOM 689 O CYS A 46 -5.516 -21.201 9.396 1.00 0.00 O ATOM 690 CB CYS A 46 -4.898 -24.001 10.220 1.00 0.00 C ATOM 691 SG CYS A 46 -4.348 -25.697 9.902 1.00 0.00 S ATOM 0 H CYS A 46 -3.702 -21.972 11.363 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.339 -23.505 8.770 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.906 -23.806 11.292 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.919 -23.867 9.864 1.00 0.00 H new ATOM 696 N ALA A 47 -4.636 -21.844 7.496 1.00 0.00 N ATOM 697 CA ALA A 47 -5.405 -20.808 6.750 1.00 0.00 C ATOM 698 C ALA A 47 -6.107 -21.423 5.538 1.00 0.00 C ATOM 699 O ALA A 47 -5.744 -22.484 5.068 1.00 0.00 O ATOM 700 CB ALA A 47 -4.363 -19.786 6.298 1.00 0.00 C ATOM 0 H ALA A 47 -4.029 -22.433 6.926 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.182 -20.358 7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.854 -18.989 5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.865 -19.364 7.171 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.626 -20.275 5.660 1.00 0.00 H new ATOM 706 N LYS A 48 -7.105 -20.758 5.026 1.00 0.00 N ATOM 707 CA LYS A 48 -7.831 -21.292 3.839 1.00 0.00 C ATOM 708 C LYS A 48 -6.957 -21.150 2.589 1.00 0.00 C ATOM 709 O LYS A 48 -5.879 -20.594 2.647 1.00 0.00 O ATOM 710 CB LYS A 48 -9.082 -20.422 3.716 1.00 0.00 C ATOM 711 CG LYS A 48 -10.315 -21.232 4.122 1.00 0.00 C ATOM 712 CD LYS A 48 -11.287 -20.332 4.888 1.00 0.00 C ATOM 713 CE LYS A 48 -12.590 -21.091 5.146 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.607 -20.030 5.395 1.00 0.00 N ATOM 0 H LYS A 48 -7.450 -19.866 5.379 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.079 -22.348 3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.988 -19.541 4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.190 -20.066 2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.802 -21.641 3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.019 -22.078 4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.842 -20.020 5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.488 -19.426 4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.864 -21.708 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.496 -21.758 6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.530 -20.471 5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.322 -19.463 6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.679 -19.415 4.559 1.00 0.00 H new ATOM 728 N PRO A 49 -7.458 -21.652 1.494 1.00 0.00 N ATOM 729 CA PRO A 49 -6.713 -21.573 0.215 1.00 0.00 C ATOM 730 C PRO A 49 -6.706 -20.132 -0.298 1.00 0.00 C ATOM 731 O PRO A 49 -5.756 -19.683 -0.910 1.00 0.00 O ATOM 732 CB PRO A 49 -7.503 -22.486 -0.717 1.00 0.00 C ATOM 733 CG PRO A 49 -8.885 -22.517 -0.146 1.00 0.00 C ATOM 734 CD PRO A 49 -8.749 -22.333 1.344 1.00 0.00 C ATOM 0 HA PRO A 49 -5.668 -21.871 0.301 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.506 -22.102 -1.737 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.068 -23.485 -0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.499 -21.727 -0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.376 -23.463 -0.375 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.566 -21.736 1.750 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.761 -23.289 1.868 1.00 0.00 H new ATOM 742 N SER A 50 -7.757 -19.401 -0.046 1.00 0.00 N ATOM 743 CA SER A 50 -7.814 -17.984 -0.510 1.00 0.00 C ATOM 744 C SER A 50 -8.259 -17.079 0.642 1.00 0.00 C ATOM 745 O SER A 50 -9.045 -16.171 0.463 1.00 0.00 O ATOM 746 CB SER A 50 -8.851 -17.974 -1.634 1.00 0.00 C ATOM 747 OG SER A 50 -8.246 -18.417 -2.839 1.00 0.00 O ATOM 0 H SER A 50 -8.581 -19.724 0.462 1.00 0.00 H new ATOM 0 HA SER A 50 -6.846 -17.618 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.689 -18.621 -1.376 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.253 -16.969 -1.764 1.00 0.00 H new ATOM 0 HG SER A 50 -8.910 -18.413 -3.559 1.00 0.00 H new ATOM 753 N GLY A 51 -7.760 -17.323 1.823 1.00 0.00 N ATOM 754 CA GLY A 51 -8.154 -16.482 2.988 1.00 0.00 C ATOM 755 C GLY A 51 -7.601 -15.067 2.812 1.00 0.00 C ATOM 756 O GLY A 51 -6.493 -14.884 2.346 1.00 0.00 O ATOM 0 H GLY A 51 -7.096 -18.069 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.240 -16.450 3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.773 -16.920 3.911 1.00 0.00 H new ATOM 760 N PRO A 52 -8.397 -14.107 3.199 1.00 0.00 N ATOM 761 CA PRO A 52 -7.990 -12.686 3.087 1.00 0.00 C ATOM 762 C PRO A 52 -6.882 -12.376 4.095 1.00 0.00 C ATOM 763 O PRO A 52 -7.113 -12.297 5.285 1.00 0.00 O ATOM 764 CB PRO A 52 -9.267 -11.920 3.416 1.00 0.00 C ATOM 765 CG PRO A 52 -10.077 -12.864 4.245 1.00 0.00 C ATOM 766 CD PRO A 52 -9.738 -14.255 3.776 1.00 0.00 C ATOM 0 HA PRO A 52 -7.590 -12.424 2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.048 -11.002 3.962 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.800 -11.632 2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.845 -12.746 5.303 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.142 -12.665 4.128 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.743 -14.968 4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.455 -14.615 3.038 1.00 0.00 H new ATOM 774 N GLY A 53 -5.678 -12.211 3.624 1.00 0.00 N ATOM 775 CA GLY A 53 -4.547 -11.918 4.547 1.00 0.00 C ATOM 776 C GLY A 53 -3.499 -13.022 4.407 1.00 0.00 C ATOM 777 O GLY A 53 -2.317 -12.798 4.572 1.00 0.00 O ATOM 0 H GLY A 53 -5.428 -12.267 2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.108 -10.949 4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.903 -11.864 5.576 1.00 0.00 H new ATOM 781 N VAL A 54 -3.928 -14.215 4.094 1.00 0.00 N ATOM 782 CA VAL A 54 -2.963 -15.339 3.930 1.00 0.00 C ATOM 783 C VAL A 54 -1.986 -15.018 2.803 1.00 0.00 C ATOM 784 O VAL A 54 -0.801 -15.270 2.904 1.00 0.00 O ATOM 785 CB VAL A 54 -3.830 -16.552 3.578 1.00 0.00 C ATOM 786 CG1 VAL A 54 -2.972 -17.630 2.914 1.00 0.00 C ATOM 787 CG2 VAL A 54 -4.456 -17.115 4.855 1.00 0.00 C ATOM 0 H VAL A 54 -4.907 -14.460 3.945 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.366 -15.519 4.824 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.616 -16.244 2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.595 -18.490 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.526 -17.230 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.182 -17.939 3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.074 -17.978 4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.667 -17.418 5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.074 -16.350 5.325 1.00 0.00 H new ATOM 797 N GLN A 55 -2.468 -14.451 1.733 1.00 0.00 N ATOM 798 CA GLN A 55 -1.553 -14.104 0.614 1.00 0.00 C ATOM 799 C GLN A 55 -0.619 -12.991 1.072 1.00 0.00 C ATOM 800 O GLN A 55 0.474 -12.835 0.570 1.00 0.00 O ATOM 801 CB GLN A 55 -2.463 -13.623 -0.517 1.00 0.00 C ATOM 802 CG GLN A 55 -1.871 -14.045 -1.863 1.00 0.00 C ATOM 803 CD GLN A 55 -2.318 -15.471 -2.191 1.00 0.00 C ATOM 804 OE1 GLN A 55 -3.491 -15.781 -2.131 1.00 0.00 O ATOM 805 NE2 GLN A 55 -1.426 -16.358 -2.541 1.00 0.00 N ATOM 0 H GLN A 55 -3.449 -14.215 1.586 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.936 -14.942 0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.461 -14.044 -0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.568 -12.539 -0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.197 -13.361 -2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.783 -13.993 -1.826 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.441 -16.098 -2.592 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.714 -17.311 -2.764 1.00 0.00 H new ATOM 814 N ASP A 56 -1.039 -12.229 2.044 1.00 0.00 N ATOM 815 CA ASP A 56 -0.168 -11.142 2.562 1.00 0.00 C ATOM 816 C ASP A 56 1.023 -11.765 3.287 1.00 0.00 C ATOM 817 O ASP A 56 2.152 -11.342 3.131 1.00 0.00 O ATOM 818 CB ASP A 56 -1.046 -10.352 3.531 1.00 0.00 C ATOM 819 CG ASP A 56 -0.345 -9.045 3.911 1.00 0.00 C ATOM 820 OD1 ASP A 56 0.127 -8.367 3.014 1.00 0.00 O ATOM 821 OD2 ASP A 56 -0.295 -8.746 5.092 1.00 0.00 O ATOM 0 H ASP A 56 -1.947 -12.314 2.500 1.00 0.00 H new ATOM 0 HA ASP A 56 0.226 -10.498 1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.011 -10.138 3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.243 -10.944 4.425 1.00 0.00 H new ATOM 826 N CYS A 57 0.782 -12.786 4.069 1.00 0.00 N ATOM 827 CA CYS A 57 1.907 -13.446 4.785 1.00 0.00 C ATOM 828 C CYS A 57 2.851 -14.076 3.765 1.00 0.00 C ATOM 829 O CYS A 57 4.055 -13.936 3.845 1.00 0.00 O ATOM 830 CB CYS A 57 1.253 -14.521 5.652 1.00 0.00 C ATOM 831 SG CYS A 57 0.249 -13.754 6.954 1.00 0.00 S ATOM 0 H CYS A 57 -0.140 -13.187 4.240 1.00 0.00 H new ATOM 0 HA CYS A 57 2.492 -12.750 5.387 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.628 -15.166 5.034 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.020 -15.153 6.099 1.00 0.00 H new ATOM 836 N MET A 58 2.309 -14.764 2.799 1.00 0.00 N ATOM 837 CA MET A 58 3.174 -15.393 1.766 1.00 0.00 C ATOM 838 C MET A 58 3.800 -14.313 0.883 1.00 0.00 C ATOM 839 O MET A 58 4.819 -14.525 0.256 1.00 0.00 O ATOM 840 CB MET A 58 2.242 -16.277 0.943 1.00 0.00 C ATOM 841 CG MET A 58 1.419 -17.173 1.875 1.00 0.00 C ATOM 842 SD MET A 58 -0.255 -17.357 1.210 1.00 0.00 S ATOM 843 CE MET A 58 -0.012 -18.974 0.436 1.00 0.00 C ATOM 0 H MET A 58 1.307 -14.917 2.681 1.00 0.00 H new ATOM 0 HA MET A 58 3.990 -15.966 2.206 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.578 -15.658 0.339 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.822 -16.890 0.253 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.893 -18.150 1.971 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.380 -16.738 2.874 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.978 -19.386 0.143 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.619 -18.864 -0.446 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.470 -19.648 1.145 1.00 0.00 H new ATOM 853 N LYS A 59 3.205 -13.150 0.835 1.00 0.00 N ATOM 854 CA LYS A 59 3.783 -12.062 -0.002 1.00 0.00 C ATOM 855 C LYS A 59 5.129 -11.650 0.584 1.00 0.00 C ATOM 856 O LYS A 59 6.132 -11.606 -0.100 1.00 0.00 O ATOM 857 CB LYS A 59 2.777 -10.912 0.083 1.00 0.00 C ATOM 858 CG LYS A 59 2.180 -10.653 -1.302 1.00 0.00 C ATOM 859 CD LYS A 59 0.736 -10.171 -1.154 1.00 0.00 C ATOM 860 CE LYS A 59 0.538 -8.893 -1.971 1.00 0.00 C ATOM 861 NZ LYS A 59 0.923 -7.788 -1.049 1.00 0.00 N ATOM 0 H LYS A 59 2.350 -12.909 1.336 1.00 0.00 H new ATOM 0 HA LYS A 59 3.951 -12.363 -1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.986 -11.158 0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.268 -10.012 0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.772 -9.905 -1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.211 -11.564 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.047 -10.944 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.510 -9.983 -0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.160 -8.896 -2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.496 -8.791 -2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.814 -6.876 -1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.310 -7.807 -0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.914 -7.909 -0.757 1.00 0.00 H new ATOM 875 N LYS A 60 5.161 -11.366 1.856 1.00 0.00 N ATOM 876 CA LYS A 60 6.444 -10.978 2.499 1.00 0.00 C ATOM 877 C LYS A 60 7.377 -12.191 2.552 1.00 0.00 C ATOM 878 O LYS A 60 8.584 -12.059 2.570 1.00 0.00 O ATOM 879 CB LYS A 60 6.061 -10.534 3.912 1.00 0.00 C ATOM 880 CG LYS A 60 6.056 -9.006 3.986 1.00 0.00 C ATOM 881 CD LYS A 60 5.198 -8.439 2.854 1.00 0.00 C ATOM 882 CE LYS A 60 4.083 -7.573 3.445 1.00 0.00 C ATOM 883 NZ LYS A 60 4.285 -6.228 2.836 1.00 0.00 N ATOM 0 H LYS A 60 4.352 -11.386 2.478 1.00 0.00 H new ATOM 0 HA LYS A 60 6.965 -10.190 1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.077 -10.924 4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.767 -10.941 4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.665 -8.680 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.074 -8.625 3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.814 -7.846 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.770 -9.251 2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.099 -7.974 3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.150 -7.529 4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.559 -5.574 3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.228 -5.870 3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.210 -6.301 1.801 1.00 0.00 H new ATOM 897 N LEU A 61 6.821 -13.375 2.578 1.00 0.00 N ATOM 898 CA LEU A 61 7.672 -14.597 2.632 1.00 0.00 C ATOM 899 C LEU A 61 8.279 -14.883 1.258 1.00 0.00 C ATOM 900 O LEU A 61 9.086 -15.777 1.099 1.00 0.00 O ATOM 901 CB LEU A 61 6.721 -15.720 3.053 1.00 0.00 C ATOM 902 CG LEU A 61 6.854 -15.983 4.559 1.00 0.00 C ATOM 903 CD1 LEU A 61 6.980 -14.657 5.315 1.00 0.00 C ATOM 904 CD2 LEU A 61 5.611 -16.727 5.052 1.00 0.00 C ATOM 0 H LEU A 61 5.816 -13.546 2.564 1.00 0.00 H new ATOM 0 HA LEU A 61 8.507 -14.491 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.694 -15.447 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.948 -16.629 2.495 1.00 0.00 H new ATOM 0 HG LEU A 61 7.745 -16.584 4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.074 -14.854 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.863 -14.122 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.093 -14.050 5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.701 -16.916 6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.725 -16.120 4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.520 -17.675 4.522 1.00 0.00 H new ATOM 916 N LYS A 62 7.893 -14.132 0.267 1.00 0.00 N ATOM 917 CA LYS A 62 8.446 -14.361 -1.098 1.00 0.00 C ATOM 918 C LYS A 62 8.248 -13.119 -1.968 1.00 0.00 C ATOM 919 O LYS A 62 7.457 -13.123 -2.890 1.00 0.00 O ATOM 920 CB LYS A 62 7.646 -15.537 -1.650 1.00 0.00 C ATOM 921 CG LYS A 62 8.547 -16.393 -2.542 1.00 0.00 C ATOM 922 CD LYS A 62 7.689 -17.382 -3.334 1.00 0.00 C ATOM 923 CE LYS A 62 8.584 -18.200 -4.267 1.00 0.00 C ATOM 924 NZ LYS A 62 8.534 -17.482 -5.570 1.00 0.00 N ATOM 0 H LYS A 62 7.219 -13.370 0.341 1.00 0.00 H new ATOM 0 HA LYS A 62 9.517 -14.565 -1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.250 -16.138 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.791 -15.173 -2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.111 -15.757 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.274 -16.931 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.155 -18.044 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.937 -16.846 -3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.604 -18.258 -3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.222 -19.223 -4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.124 -17.982 -6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.552 -17.448 -5.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.891 -16.513 -5.446 1.00 0.00 H new ATOM 938 N PRO A 63 8.981 -12.093 -1.638 1.00 0.00 N ATOM 939 CA PRO A 63 8.899 -10.822 -2.388 1.00 0.00 C ATOM 940 C PRO A 63 9.733 -10.905 -3.672 1.00 0.00 C ATOM 941 O PRO A 63 10.736 -10.236 -3.813 1.00 0.00 O ATOM 942 CB PRO A 63 9.493 -9.803 -1.424 1.00 0.00 C ATOM 943 CG PRO A 63 10.401 -10.587 -0.522 1.00 0.00 C ATOM 944 CD PRO A 63 9.945 -12.026 -0.537 1.00 0.00 C ATOM 0 HA PRO A 63 7.885 -10.571 -2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.044 -9.030 -1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.712 -9.300 -0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.434 -10.511 -0.862 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.369 -10.188 0.492 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.781 -12.706 -0.700 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.486 -12.307 0.411 1.00 0.00 H new ATOM 952 N TYR A 64 9.325 -11.720 -4.608 1.00 0.00 N ATOM 953 CA TYR A 64 10.099 -11.840 -5.876 1.00 0.00 C ATOM 954 C TYR A 64 9.147 -11.881 -7.074 1.00 0.00 C ATOM 955 O TYR A 64 9.191 -12.788 -7.883 1.00 0.00 O ATOM 956 CB TYR A 64 10.862 -13.160 -5.750 1.00 0.00 C ATOM 957 CG TYR A 64 12.173 -12.919 -5.040 1.00 0.00 C ATOM 958 CD1 TYR A 64 13.315 -12.581 -5.774 1.00 0.00 C ATOM 959 CD2 TYR A 64 12.245 -13.035 -3.647 1.00 0.00 C ATOM 960 CE1 TYR A 64 14.531 -12.358 -5.115 1.00 0.00 C ATOM 961 CE2 TYR A 64 13.460 -12.813 -2.987 1.00 0.00 C ATOM 962 CZ TYR A 64 14.603 -12.474 -3.722 1.00 0.00 C ATOM 963 OH TYR A 64 15.801 -12.255 -3.072 1.00 0.00 O ATOM 0 H TYR A 64 8.492 -12.306 -4.549 1.00 0.00 H new ATOM 0 HA TYR A 64 10.770 -10.995 -6.033 1.00 0.00 H new ATOM 0 HB2 TYR A 64 10.265 -13.886 -5.198 1.00 0.00 H new ATOM 0 HB3 TYR A 64 11.044 -13.583 -6.738 1.00 0.00 H new ATOM 0 HD1 TYR A 64 13.259 -12.492 -6.849 1.00 0.00 H new ATOM 0 HD2 TYR A 64 11.363 -13.296 -3.081 1.00 0.00 H new ATOM 0 HE1 TYR A 64 15.413 -12.097 -5.682 1.00 0.00 H new ATOM 0 HE2 TYR A 64 13.516 -12.903 -1.912 1.00 0.00 H new ATOM 0 HH TYR A 64 15.677 -12.375 -2.107 1.00 0.00 H new ATOM 973 N SER A 65 8.286 -10.908 -7.194 1.00 0.00 N ATOM 974 CA SER A 65 7.333 -10.895 -8.340 1.00 0.00 C ATOM 975 C SER A 65 7.229 -9.487 -8.932 1.00 0.00 C ATOM 976 O SER A 65 6.234 -8.808 -8.775 1.00 0.00 O ATOM 977 CB SER A 65 5.991 -11.328 -7.745 1.00 0.00 C ATOM 978 OG SER A 65 5.808 -10.702 -6.485 1.00 0.00 O ATOM 0 H SER A 65 8.201 -10.122 -6.549 1.00 0.00 H new ATOM 0 HA SER A 65 7.653 -11.553 -9.148 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.178 -11.057 -8.419 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.964 -12.412 -7.632 1.00 0.00 H new ATOM 0 HG SER A 65 4.948 -10.978 -6.105 1.00 0.00 H new ATOM 984 N ILE A 66 8.250 -9.044 -9.614 1.00 0.00 N ATOM 985 CA ILE A 66 8.208 -7.681 -10.220 1.00 0.00 C ATOM 986 C ILE A 66 7.604 -6.678 -9.232 1.00 0.00 C ATOM 987 O ILE A 66 7.691 -6.924 -8.041 1.00 0.00 O ATOM 988 CB ILE A 66 7.314 -7.827 -11.453 1.00 0.00 C ATOM 989 CG1 ILE A 66 7.810 -8.998 -12.303 1.00 0.00 C ATOM 990 CG2 ILE A 66 7.367 -6.540 -12.278 1.00 0.00 C ATOM 991 CD1 ILE A 66 6.860 -10.187 -12.140 1.00 0.00 C ATOM 992 OXT ILE A 66 7.065 -5.682 -9.686 1.00 0.00 O ATOM 0 H ILE A 66 9.111 -9.566 -9.778 1.00 0.00 H new ATOM 0 HA ILE A 66 9.201 -7.311 -10.476 1.00 0.00 H new ATOM 0 HB ILE A 66 6.287 -8.013 -11.138 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.864 -8.703 -13.351 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.818 -9.280 -11.999 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.730 -6.644 -13.156 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.016 -5.705 -11.672 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.393 -6.353 -12.594 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.214 -11.021 -12.746 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.829 -10.487 -11.093 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.860 -9.901 -12.465 1.00 0.00 H new TER 1004 ILE A 66