USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=21 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 Set 1.1: A 55 GLN : amide:sc= -2.41 K(o=-3,f=-1.1) USER MOD Set 1.2: A 58 MET CE :methyl -164:sc= -0.61 (180deg=-1.3!) USER MOD Single : A 1 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.016) USER MOD Single : A 1 HIS N :NH3+ -122:sc= 0 (180deg=-0.0478) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.032 X(o=-0.032,f=-0.45) USER MOD Single : A 14 SER OG : rot -40:sc= 1.28 USER MOD Single : A 18 SER OG : rot -36:sc= 0.613 USER MOD Single : A 20 MET CE :methyl -123:sc= -11.9! (180deg=-15.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 72:sc= -0.442 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+ 178:sc= 0.016 (180deg=0.0154) USER MOD Single : A 39 THR OG1 : rot 120:sc= -1.23 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 K(o=0,f=-0.54) 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 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.0525) 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 4.470 -35.383 14.785 1.00 0.00 N ATOM 2 CA HIS A 1 5.289 -36.163 13.813 1.00 0.00 C ATOM 3 C HIS A 1 4.503 -37.379 13.317 1.00 0.00 C ATOM 4 O HIS A 1 4.937 -38.507 13.447 1.00 0.00 O ATOM 5 CB HIS A 1 6.525 -36.604 14.599 1.00 0.00 C ATOM 6 CG HIS A 1 7.444 -35.429 14.786 1.00 0.00 C ATOM 7 ND1 HIS A 1 8.356 -35.361 15.828 1.00 0.00 N ATOM 8 CD2 HIS A 1 7.602 -34.266 14.074 1.00 0.00 C ATOM 9 CE1 HIS A 1 9.016 -34.194 15.716 1.00 0.00 C ATOM 10 NE2 HIS A 1 8.595 -33.488 14.663 1.00 0.00 N ATOM 0 H1 HIS A 1 4.360 -34.407 14.442 1.00 0.00 H new ATOM 0 H2 HIS A 1 3.533 -35.824 14.882 1.00 0.00 H new ATOM 0 H3 HIS A 1 4.945 -35.373 15.710 1.00 0.00 H new ATOM 0 HA HIS A 1 5.555 -35.578 12.933 1.00 0.00 H new ATOM 0 HB2 HIS A 1 6.229 -37.006 15.568 1.00 0.00 H new ATOM 0 HB3 HIS A 1 7.042 -37.403 14.067 1.00 0.00 H new ATOM 0 HD2 HIS A 1 7.041 -33.996 13.191 1.00 0.00 H new ATOM 0 HE1 HIS A 1 9.791 -33.868 16.394 1.00 0.00 H new ATOM 0 HE2 HIS A 1 8.929 -32.575 14.356 1.00 0.00 H new ATOM 20 N PHE A 2 3.350 -37.158 12.747 1.00 0.00 N ATOM 21 CA PHE A 2 2.537 -38.301 12.243 1.00 0.00 C ATOM 22 C PHE A 2 1.664 -37.852 11.068 1.00 0.00 C ATOM 23 O PHE A 2 1.198 -36.731 11.020 1.00 0.00 O ATOM 24 CB PHE A 2 1.665 -38.719 13.426 1.00 0.00 C ATOM 25 CG PHE A 2 0.786 -39.877 13.020 1.00 0.00 C ATOM 26 CD1 PHE A 2 1.365 -41.087 12.618 1.00 0.00 C ATOM 27 CD2 PHE A 2 -0.608 -39.743 13.045 1.00 0.00 C ATOM 28 CE1 PHE A 2 0.550 -42.162 12.240 1.00 0.00 C ATOM 29 CE2 PHE A 2 -1.422 -40.818 12.668 1.00 0.00 C ATOM 30 CZ PHE A 2 -0.844 -42.027 12.266 1.00 0.00 C ATOM 0 H PHE A 2 2.936 -36.236 12.609 1.00 0.00 H new ATOM 0 HA PHE A 2 3.158 -39.121 11.883 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.292 -39.004 14.271 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.051 -37.880 13.753 1.00 0.00 H new ATOM 0 HD1 PHE A 2 2.440 -41.191 12.599 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -1.055 -38.810 13.355 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.996 -43.095 11.929 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -2.497 -40.714 12.688 1.00 0.00 H new ATOM 0 HZ PHE A 2 -1.472 -42.856 11.976 1.00 0.00 H new ATOM 40 N ALA A 3 1.438 -38.721 10.121 1.00 0.00 N ATOM 41 CA ALA A 3 0.593 -38.348 8.951 1.00 0.00 C ATOM 42 C ALA A 3 1.120 -37.065 8.302 1.00 0.00 C ATOM 43 O ALA A 3 2.014 -36.422 8.813 1.00 0.00 O ATOM 44 CB ALA A 3 -0.805 -38.118 9.529 1.00 0.00 C ATOM 0 H ALA A 3 1.802 -39.674 10.107 1.00 0.00 H new ATOM 0 HA ALA A 3 0.596 -39.118 8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.489 -37.839 8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.158 -39.034 10.004 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.766 -37.318 10.268 1.00 0.00 H new ATOM 50 N ALA A 4 0.571 -36.688 7.179 1.00 0.00 N ATOM 51 CA ALA A 4 1.038 -35.446 6.498 1.00 0.00 C ATOM 52 C ALA A 4 0.522 -34.213 7.243 1.00 0.00 C ATOM 53 O ALA A 4 0.246 -34.261 8.425 1.00 0.00 O ATOM 54 CB ALA A 4 0.435 -35.514 5.095 1.00 0.00 C ATOM 0 H ALA A 4 -0.181 -37.187 6.703 1.00 0.00 H new ATOM 0 HA ALA A 4 2.125 -35.372 6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.733 -34.632 4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.793 -36.410 4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.652 -35.549 5.167 1.00 0.00 H new ATOM 60 N ASP A 5 0.389 -33.108 6.562 1.00 0.00 N ATOM 61 CA ASP A 5 -0.110 -31.874 7.236 1.00 0.00 C ATOM 62 C ASP A 5 -1.368 -31.360 6.533 1.00 0.00 C ATOM 63 O ASP A 5 -1.331 -30.961 5.386 1.00 0.00 O ATOM 64 CB ASP A 5 1.026 -30.860 7.104 1.00 0.00 C ATOM 65 CG ASP A 5 2.340 -31.501 7.552 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.282 -32.510 8.236 1.00 0.00 O ATOM 67 OD2 ASP A 5 3.382 -30.971 7.204 1.00 0.00 O ATOM 0 H ASP A 5 0.604 -33.005 5.570 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.377 -32.054 8.277 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.108 -30.523 6.071 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.814 -29.980 7.711 1.00 0.00 H new ATOM 72 N CYS A 6 -2.483 -31.361 7.212 1.00 0.00 N ATOM 73 CA CYS A 6 -3.740 -30.864 6.579 1.00 0.00 C ATOM 74 C CYS A 6 -4.635 -30.204 7.627 1.00 0.00 C ATOM 75 O CYS A 6 -4.879 -30.749 8.686 1.00 0.00 O ATOM 76 CB CYS A 6 -4.418 -32.102 6.001 1.00 0.00 C ATOM 77 SG CYS A 6 -3.358 -32.830 4.729 1.00 0.00 S ATOM 0 H CYS A 6 -2.579 -31.683 8.175 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.543 -30.116 5.811 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.608 -32.828 6.791 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.385 -31.835 5.575 1.00 0.00 H new ATOM 82 N CYS A 7 -5.120 -29.030 7.341 1.00 0.00 N ATOM 83 CA CYS A 7 -5.988 -28.320 8.306 1.00 0.00 C ATOM 84 C CYS A 7 -7.466 -28.586 8.005 1.00 0.00 C ATOM 85 O CYS A 7 -7.891 -28.563 6.867 1.00 0.00 O ATOM 86 CB CYS A 7 -5.661 -26.849 8.079 1.00 0.00 C ATOM 87 SG CYS A 7 -3.882 -26.588 8.270 1.00 0.00 S ATOM 0 H CYS A 7 -4.948 -28.530 6.469 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.819 -28.641 9.334 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.979 -26.545 7.082 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.208 -26.230 8.790 1.00 0.00 H new ATOM 92 N THR A 8 -8.256 -28.812 9.019 1.00 0.00 N ATOM 93 CA THR A 8 -9.709 -29.049 8.791 1.00 0.00 C ATOM 94 C THR A 8 -10.465 -27.734 8.998 1.00 0.00 C ATOM 95 O THR A 8 -11.613 -27.594 8.625 1.00 0.00 O ATOM 96 CB THR A 8 -10.120 -30.084 9.840 1.00 0.00 C ATOM 97 OG1 THR A 8 -11.472 -30.461 9.623 1.00 0.00 O ATOM 98 CG2 THR A 8 -9.971 -29.483 11.238 1.00 0.00 C ATOM 0 H THR A 8 -7.958 -28.843 9.994 1.00 0.00 H new ATOM 0 HA THR A 8 -9.929 -29.402 7.784 1.00 0.00 H new ATOM 0 HB THR A 8 -9.480 -30.962 9.757 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.738 -31.125 10.293 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.264 -30.221 11.985 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.933 -29.194 11.401 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.610 -28.604 11.326 1.00 0.00 H new ATOM 106 N SER A 9 -9.813 -26.767 9.587 1.00 0.00 N ATOM 107 CA SER A 9 -10.461 -25.447 9.821 1.00 0.00 C ATOM 108 C SER A 9 -9.443 -24.331 9.566 1.00 0.00 C ATOM 109 O SER A 9 -8.481 -24.514 8.847 1.00 0.00 O ATOM 110 CB SER A 9 -10.884 -25.465 11.291 1.00 0.00 C ATOM 111 OG SER A 9 -11.934 -24.531 11.491 1.00 0.00 O ATOM 0 H SER A 9 -8.851 -26.838 9.918 1.00 0.00 H new ATOM 0 HA SER A 9 -11.312 -25.272 9.162 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.213 -26.465 11.574 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.035 -25.217 11.928 1.00 0.00 H new ATOM 0 HG SER A 9 -12.207 -24.543 12.432 1.00 0.00 H new ATOM 117 N TYR A 10 -9.640 -23.180 10.146 1.00 0.00 N ATOM 118 CA TYR A 10 -8.669 -22.069 9.926 1.00 0.00 C ATOM 119 C TYR A 10 -8.613 -21.154 11.153 1.00 0.00 C ATOM 120 O TYR A 10 -9.475 -21.192 12.009 1.00 0.00 O ATOM 121 CB TYR A 10 -9.201 -21.310 8.710 1.00 0.00 C ATOM 122 CG TYR A 10 -9.236 -22.235 7.516 1.00 0.00 C ATOM 123 CD1 TYR A 10 -8.041 -22.710 6.960 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.464 -22.618 6.964 1.00 0.00 C ATOM 125 CE1 TYR A 10 -8.075 -23.568 5.853 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.498 -23.476 5.858 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.304 -23.950 5.302 1.00 0.00 C ATOM 128 OH TYR A 10 -9.337 -24.794 4.211 1.00 0.00 O ATOM 0 H TYR A 10 -10.425 -22.960 10.759 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.656 -22.437 9.765 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.200 -20.926 8.916 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.566 -20.449 8.499 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.093 -22.415 7.385 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.386 -22.252 7.391 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.154 -23.935 5.425 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.446 -23.772 5.434 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.268 -24.960 3.954 1.00 0.00 H new ATOM 138 N ILE A 11 -7.606 -20.328 11.242 1.00 0.00 N ATOM 139 CA ILE A 11 -7.495 -19.407 12.410 1.00 0.00 C ATOM 140 C ILE A 11 -8.818 -18.651 12.592 1.00 0.00 C ATOM 141 O ILE A 11 -9.693 -18.708 11.752 1.00 0.00 O ATOM 142 CB ILE A 11 -6.360 -18.429 12.066 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.848 -17.431 11.016 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.141 -19.179 11.526 1.00 0.00 C ATOM 145 CD1 ILE A 11 -7.096 -18.156 9.692 1.00 0.00 C ATOM 0 H ILE A 11 -6.855 -20.251 10.556 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.288 -19.941 13.337 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.070 -17.902 12.975 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.765 -16.950 11.356 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.108 -16.643 10.877 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.351 -18.466 11.289 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.783 -19.881 12.279 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.419 -19.724 10.624 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.444 -17.442 8.946 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.169 -18.616 9.350 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.852 -18.928 9.836 1.00 0.00 H new ATOM 157 N SER A 12 -8.978 -17.951 13.683 1.00 0.00 N ATOM 158 CA SER A 12 -10.251 -17.207 13.910 1.00 0.00 C ATOM 159 C SER A 12 -10.135 -15.765 13.405 1.00 0.00 C ATOM 160 O SER A 12 -11.080 -15.002 13.454 1.00 0.00 O ATOM 161 CB SER A 12 -10.448 -17.236 15.425 1.00 0.00 C ATOM 162 OG SER A 12 -10.484 -15.909 15.932 1.00 0.00 O ATOM 0 H SER A 12 -8.284 -17.862 14.425 1.00 0.00 H new ATOM 0 HA SER A 12 -11.090 -17.651 13.375 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.375 -17.754 15.670 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.638 -17.793 15.896 1.00 0.00 H new ATOM 0 HG SER A 12 -10.612 -15.933 16.903 1.00 0.00 H new ATOM 168 N GLN A 13 -8.987 -15.384 12.919 1.00 0.00 N ATOM 169 CA GLN A 13 -8.816 -13.990 12.411 1.00 0.00 C ATOM 170 C GLN A 13 -7.779 -13.965 11.289 1.00 0.00 C ATOM 171 O GLN A 13 -7.434 -14.980 10.725 1.00 0.00 O ATOM 172 CB GLN A 13 -8.326 -13.180 13.613 1.00 0.00 C ATOM 173 CG GLN A 13 -7.236 -13.960 14.348 1.00 0.00 C ATOM 174 CD GLN A 13 -6.415 -12.996 15.206 1.00 0.00 C ATOM 175 OE1 GLN A 13 -5.981 -11.963 14.736 1.00 0.00 O ATOM 176 NE2 GLN A 13 -6.182 -13.292 16.456 1.00 0.00 N ATOM 0 H GLN A 13 -8.159 -15.976 12.851 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.741 -13.585 12.001 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.937 -12.217 13.281 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.157 -12.973 14.288 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.684 -14.731 14.975 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.590 -14.467 13.632 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.546 -14.159 16.851 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.636 -12.656 17.037 1.00 0.00 H new ATOM 185 N SER A 14 -7.281 -12.810 10.958 1.00 0.00 N ATOM 186 CA SER A 14 -6.264 -12.728 9.872 1.00 0.00 C ATOM 187 C SER A 14 -4.958 -13.392 10.324 1.00 0.00 C ATOM 188 O SER A 14 -4.604 -13.360 11.486 1.00 0.00 O ATOM 189 CB SER A 14 -6.054 -11.233 9.637 1.00 0.00 C ATOM 190 OG SER A 14 -6.732 -10.840 8.453 1.00 0.00 O ATOM 0 H SER A 14 -7.532 -11.920 11.389 1.00 0.00 H new ATOM 0 HA SER A 14 -6.584 -13.240 8.964 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.428 -10.664 10.489 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.990 -11.014 9.549 1.00 0.00 H new ATOM 0 HG SER A 14 -6.619 -11.531 7.767 1.00 0.00 H new ATOM 196 N ILE A 15 -4.241 -13.997 9.414 1.00 0.00 N ATOM 197 CA ILE A 15 -2.961 -14.662 9.794 1.00 0.00 C ATOM 198 C ILE A 15 -1.900 -13.607 10.126 1.00 0.00 C ATOM 199 O ILE A 15 -1.766 -12.621 9.429 1.00 0.00 O ATOM 200 CB ILE A 15 -2.545 -15.457 8.557 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.489 -16.650 8.372 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.106 -15.951 8.733 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.173 -17.729 9.411 1.00 0.00 C ATOM 0 H ILE A 15 -4.486 -14.059 8.426 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.071 -15.298 10.672 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.601 -14.819 7.675 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.524 -16.325 8.475 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.382 -17.058 7.367 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.806 -16.519 7.852 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.441 -15.097 8.858 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.046 -16.590 9.614 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.847 -18.574 9.274 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.143 -18.063 9.287 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.303 -17.319 10.413 1.00 0.00 H new ATOM 215 N PRO A 16 -1.182 -13.852 11.187 1.00 0.00 N ATOM 216 CA PRO A 16 -0.122 -12.912 11.626 1.00 0.00 C ATOM 217 C PRO A 16 1.129 -13.068 10.757 1.00 0.00 C ATOM 218 O PRO A 16 2.053 -13.774 11.107 1.00 0.00 O ATOM 219 CB PRO A 16 0.167 -13.344 13.057 1.00 0.00 C ATOM 220 CG PRO A 16 -0.229 -14.787 13.119 1.00 0.00 C ATOM 221 CD PRO A 16 -1.291 -15.016 12.072 1.00 0.00 C ATOM 0 HA PRO A 16 -0.422 -11.867 11.548 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.221 -13.214 13.302 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.402 -12.748 13.771 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.633 -15.428 12.936 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.608 -15.037 14.110 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.121 -15.946 11.529 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.283 -15.085 12.519 1.00 0.00 H new ATOM 229 N CYS A 17 1.170 -12.409 9.633 1.00 0.00 N ATOM 230 CA CYS A 17 2.369 -12.517 8.752 1.00 0.00 C ATOM 231 C CYS A 17 3.614 -12.037 9.505 1.00 0.00 C ATOM 232 O CYS A 17 4.719 -12.473 9.246 1.00 0.00 O ATOM 233 CB CYS A 17 2.098 -11.584 7.567 1.00 0.00 C ATOM 234 SG CYS A 17 0.444 -11.873 6.888 1.00 0.00 S ATOM 0 H CYS A 17 0.428 -11.801 9.286 1.00 0.00 H new ATOM 0 HA CYS A 17 2.543 -13.545 8.433 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.189 -10.546 7.887 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.848 -11.745 6.792 1.00 0.00 H new ATOM 239 N SER A 18 3.439 -11.131 10.433 1.00 0.00 N ATOM 240 CA SER A 18 4.608 -10.598 11.201 1.00 0.00 C ATOM 241 C SER A 18 5.198 -11.648 12.152 1.00 0.00 C ATOM 242 O SER A 18 6.061 -11.345 12.952 1.00 0.00 O ATOM 243 CB SER A 18 4.050 -9.419 11.999 1.00 0.00 C ATOM 244 OG SER A 18 5.112 -8.773 12.688 1.00 0.00 O ATOM 0 H SER A 18 2.535 -10.736 10.693 1.00 0.00 H new ATOM 0 HA SER A 18 5.419 -10.311 10.532 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.554 -8.715 11.331 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.300 -9.768 12.709 1.00 0.00 H new ATOM 0 HG SER A 18 5.760 -9.442 12.991 1.00 0.00 H new ATOM 250 N LEU A 19 4.752 -12.872 12.086 1.00 0.00 N ATOM 251 CA LEU A 19 5.311 -13.906 13.000 1.00 0.00 C ATOM 252 C LEU A 19 5.619 -15.192 12.230 1.00 0.00 C ATOM 253 O LEU A 19 6.139 -16.143 12.780 1.00 0.00 O ATOM 254 CB LEU A 19 4.209 -14.153 14.032 1.00 0.00 C ATOM 255 CG LEU A 19 4.213 -13.023 15.062 1.00 0.00 C ATOM 256 CD1 LEU A 19 2.898 -13.048 15.845 1.00 0.00 C ATOM 257 CD2 LEU A 19 5.384 -13.214 16.027 1.00 0.00 C ATOM 0 H LEU A 19 4.030 -13.199 11.444 1.00 0.00 H new ATOM 0 HA LEU A 19 6.245 -13.585 13.462 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.239 -14.206 13.538 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.367 -15.111 14.527 1.00 0.00 H new ATOM 0 HG LEU A 19 4.317 -12.065 14.552 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.897 -12.244 16.581 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.063 -12.912 15.158 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.796 -14.006 16.355 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.386 -12.408 16.761 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.281 -14.171 16.539 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.321 -13.200 15.470 1.00 0.00 H new ATOM 269 N MET A 20 5.305 -15.236 10.963 1.00 0.00 N ATOM 270 CA MET A 20 5.588 -16.471 10.177 1.00 0.00 C ATOM 271 C MET A 20 6.871 -16.300 9.361 1.00 0.00 C ATOM 272 O MET A 20 7.087 -15.286 8.727 1.00 0.00 O ATOM 273 CB MET A 20 4.386 -16.650 9.247 1.00 0.00 C ATOM 274 CG MET A 20 3.087 -16.367 10.006 1.00 0.00 C ATOM 275 SD MET A 20 2.741 -17.724 11.149 1.00 0.00 S ATOM 276 CE MET A 20 0.936 -17.672 11.017 1.00 0.00 C ATOM 0 H MET A 20 4.868 -14.476 10.442 1.00 0.00 H new ATOM 0 HA MET A 20 5.732 -17.337 10.823 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.472 -15.976 8.395 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.371 -17.665 8.851 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.172 -15.429 10.555 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.262 -16.251 9.303 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.503 -17.527 12.007 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.642 -16.847 10.368 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.575 -18.611 10.597 1.00 0.00 H new ATOM 286 N LYS A 21 7.716 -17.291 9.363 1.00 0.00 N ATOM 287 CA LYS A 21 8.977 -17.194 8.579 1.00 0.00 C ATOM 288 C LYS A 21 8.773 -17.802 7.189 1.00 0.00 C ATOM 289 O LYS A 21 9.492 -17.500 6.258 1.00 0.00 O ATOM 290 CB LYS A 21 10.006 -17.997 9.375 1.00 0.00 C ATOM 291 CG LYS A 21 9.531 -19.444 9.516 1.00 0.00 C ATOM 292 CD LYS A 21 10.743 -20.378 9.548 1.00 0.00 C ATOM 293 CE LYS A 21 10.470 -21.541 10.505 1.00 0.00 C ATOM 294 NZ LYS A 21 11.030 -22.740 9.818 1.00 0.00 N ATOM 0 H LYS A 21 7.588 -18.165 9.874 1.00 0.00 H new ATOM 0 HA LYS A 21 9.298 -16.163 8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.973 -17.968 8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.146 -17.552 10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.946 -19.559 10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.878 -19.706 8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.949 -20.758 8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.629 -19.830 9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.949 -21.379 11.471 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.403 -21.656 10.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.882 -23.581 10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.551 -22.872 8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.049 -22.604 9.658 1.00 0.00 H new ATOM 308 N SER A 22 7.796 -18.660 7.038 1.00 0.00 N ATOM 309 CA SER A 22 7.553 -19.281 5.704 1.00 0.00 C ATOM 310 C SER A 22 6.110 -19.785 5.609 1.00 0.00 C ATOM 311 O SER A 22 5.362 -19.729 6.561 1.00 0.00 O ATOM 312 CB SER A 22 8.536 -20.450 5.629 1.00 0.00 C ATOM 313 OG SER A 22 8.683 -20.861 4.277 1.00 0.00 O ATOM 0 H SER A 22 7.159 -18.955 7.778 1.00 0.00 H new ATOM 0 HA SER A 22 7.695 -18.574 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.502 -20.153 6.037 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.176 -21.281 6.236 1.00 0.00 H new ATOM 0 HG SER A 22 9.314 -21.609 4.229 1.00 0.00 H new ATOM 319 N TYR A 23 5.718 -20.274 4.465 1.00 0.00 N ATOM 320 CA TYR A 23 4.326 -20.790 4.306 1.00 0.00 C ATOM 321 C TYR A 23 4.309 -21.914 3.266 1.00 0.00 C ATOM 322 O TYR A 23 5.120 -21.938 2.362 1.00 0.00 O ATOM 323 CB TYR A 23 3.509 -19.590 3.826 1.00 0.00 C ATOM 324 CG TYR A 23 3.834 -19.295 2.382 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.133 -19.947 1.361 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.832 -18.367 2.063 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.431 -19.672 0.021 1.00 0.00 C ATOM 328 CE2 TYR A 23 5.130 -18.091 0.723 1.00 0.00 C ATOM 329 CZ TYR A 23 4.429 -18.743 -0.297 1.00 0.00 C ATOM 330 OH TYR A 23 4.722 -18.470 -1.618 1.00 0.00 O ATOM 0 H TYR A 23 6.302 -20.339 3.631 1.00 0.00 H new ATOM 0 HA TYR A 23 3.923 -21.203 5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.444 -19.797 3.934 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.728 -18.719 4.443 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.362 -20.662 1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.373 -17.864 2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.891 -20.176 -0.767 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.900 -17.375 0.477 1.00 0.00 H new ATOM 0 HH TYR A 23 5.438 -17.802 -1.663 1.00 0.00 H new ATOM 340 N PHE A 24 3.398 -22.845 3.373 1.00 0.00 N ATOM 341 CA PHE A 24 3.364 -23.947 2.367 1.00 0.00 C ATOM 342 C PHE A 24 1.937 -24.465 2.170 1.00 0.00 C ATOM 343 O PHE A 24 1.122 -24.437 3.072 1.00 0.00 O ATOM 344 CB PHE A 24 4.273 -25.043 2.934 1.00 0.00 C ATOM 345 CG PHE A 24 3.537 -25.846 3.984 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.619 -26.832 3.599 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.780 -25.607 5.342 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.944 -27.577 4.573 1.00 0.00 C ATOM 349 CE2 PHE A 24 3.105 -26.353 6.315 1.00 0.00 C ATOM 350 CZ PHE A 24 2.187 -27.339 5.930 1.00 0.00 C ATOM 0 H PHE A 24 2.686 -22.891 4.102 1.00 0.00 H new ATOM 0 HA PHE A 24 3.703 -23.610 1.387 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.605 -25.701 2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.166 -24.595 3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.432 -27.017 2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.488 -24.847 5.639 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.235 -28.336 4.277 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.292 -26.169 7.363 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.667 -27.915 6.681 1.00 0.00 H new ATOM 360 N GLU A 25 1.634 -24.940 0.992 1.00 0.00 N ATOM 361 CA GLU A 25 0.266 -25.468 0.727 1.00 0.00 C ATOM 362 C GLU A 25 0.225 -26.972 1.001 1.00 0.00 C ATOM 363 O GLU A 25 1.141 -27.698 0.667 1.00 0.00 O ATOM 364 CB GLU A 25 0.016 -25.189 -0.755 1.00 0.00 C ATOM 365 CG GLU A 25 -0.715 -23.854 -0.911 1.00 0.00 C ATOM 366 CD GLU A 25 -0.413 -23.268 -2.291 1.00 0.00 C ATOM 367 OE1 GLU A 25 -0.313 -24.040 -3.232 1.00 0.00 O ATOM 368 OE2 GLU A 25 -0.287 -22.058 -2.385 1.00 0.00 O ATOM 0 H GLU A 25 2.276 -24.985 0.201 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.489 -25.005 1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.963 -25.162 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.577 -25.993 -1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.789 -23.999 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.399 -23.160 -0.132 1.00 0.00 H new ATOM 375 N THR A 26 -0.827 -27.448 1.604 1.00 0.00 N ATOM 376 CA THR A 26 -0.918 -28.905 1.893 1.00 0.00 C ATOM 377 C THR A 26 -0.961 -29.694 0.582 1.00 0.00 C ATOM 378 O THR A 26 -0.786 -29.145 -0.488 1.00 0.00 O ATOM 379 CB THR A 26 -2.226 -29.076 2.669 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.299 -28.545 1.904 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.132 -28.336 4.003 1.00 0.00 C ATOM 0 H THR A 26 -1.626 -26.893 1.909 1.00 0.00 H new ATOM 0 HA THR A 26 -0.062 -29.272 2.459 1.00 0.00 H new ATOM 0 HB THR A 26 -2.402 -30.135 2.858 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.483 -29.136 1.144 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.064 -28.459 4.554 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.308 -28.744 4.588 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.956 -27.276 3.819 1.00 0.00 H new ATOM 389 N SER A 27 -1.193 -30.975 0.654 1.00 0.00 N ATOM 390 CA SER A 27 -1.247 -31.792 -0.593 1.00 0.00 C ATOM 391 C SER A 27 -2.697 -31.962 -1.048 1.00 0.00 C ATOM 392 O SER A 27 -3.601 -32.069 -0.244 1.00 0.00 O ATOM 393 CB SER A 27 -0.643 -33.143 -0.209 1.00 0.00 C ATOM 394 OG SER A 27 0.674 -32.950 0.287 1.00 0.00 O ATOM 0 H SER A 27 -1.347 -31.492 1.520 1.00 0.00 H new ATOM 0 HA SER A 27 -0.707 -31.325 -1.417 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.260 -33.627 0.547 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.623 -33.804 -1.076 1.00 0.00 H new ATOM 0 HG SER A 27 1.060 -33.816 0.535 1.00 0.00 H new ATOM 400 N SER A 28 -2.927 -31.990 -2.333 1.00 0.00 N ATOM 401 CA SER A 28 -4.321 -32.155 -2.836 1.00 0.00 C ATOM 402 C SER A 28 -4.844 -33.550 -2.494 1.00 0.00 C ATOM 403 O SER A 28 -6.002 -33.859 -2.692 1.00 0.00 O ATOM 404 CB SER A 28 -4.225 -31.973 -4.351 1.00 0.00 C ATOM 405 OG SER A 28 -3.649 -30.708 -4.641 1.00 0.00 O ATOM 0 H SER A 28 -2.211 -31.906 -3.055 1.00 0.00 H new ATOM 0 HA SER A 28 -5.008 -31.439 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.620 -32.768 -4.786 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.216 -32.045 -4.800 1.00 0.00 H new ATOM 0 HG SER A 28 -3.586 -30.592 -5.612 1.00 0.00 H new ATOM 411 N GLU A 29 -3.997 -34.395 -1.977 1.00 0.00 N ATOM 412 CA GLU A 29 -4.439 -35.771 -1.615 1.00 0.00 C ATOM 413 C GLU A 29 -5.325 -35.723 -0.369 1.00 0.00 C ATOM 414 O GLU A 29 -6.161 -36.579 -0.155 1.00 0.00 O ATOM 415 CB GLU A 29 -3.147 -36.537 -1.328 1.00 0.00 C ATOM 416 CG GLU A 29 -3.339 -38.014 -1.679 1.00 0.00 C ATOM 417 CD GLU A 29 -3.604 -38.151 -3.180 1.00 0.00 C ATOM 418 OE1 GLU A 29 -3.176 -37.280 -3.919 1.00 0.00 O ATOM 419 OE2 GLU A 29 -4.232 -39.124 -3.563 1.00 0.00 O ATOM 0 H GLU A 29 -3.015 -34.192 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.024 -36.243 -2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.326 -36.118 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.877 -36.434 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.452 -38.583 -1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.173 -38.428 -1.112 1.00 0.00 H new ATOM 426 N CYS A 30 -5.151 -34.726 0.455 1.00 0.00 N ATOM 427 CA CYS A 30 -5.985 -34.620 1.686 1.00 0.00 C ATOM 428 C CYS A 30 -7.415 -34.207 1.322 1.00 0.00 C ATOM 429 O CYS A 30 -7.637 -33.450 0.398 1.00 0.00 O ATOM 430 CB CYS A 30 -5.310 -33.540 2.531 1.00 0.00 C ATOM 431 SG CYS A 30 -4.479 -34.312 3.941 1.00 0.00 S ATOM 0 H CYS A 30 -4.467 -33.980 0.329 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.056 -35.567 2.220 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.589 -32.988 1.928 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.050 -32.820 2.880 1.00 0.00 H new ATOM 436 N SER A 31 -8.385 -34.702 2.042 1.00 0.00 N ATOM 437 CA SER A 31 -9.802 -34.343 1.740 1.00 0.00 C ATOM 438 C SER A 31 -10.035 -32.841 1.926 1.00 0.00 C ATOM 439 O SER A 31 -11.074 -32.317 1.579 1.00 0.00 O ATOM 440 CB SER A 31 -10.634 -35.144 2.743 1.00 0.00 C ATOM 441 OG SER A 31 -10.841 -36.457 2.244 1.00 0.00 O ATOM 0 H SER A 31 -8.258 -35.340 2.827 1.00 0.00 H new ATOM 0 HA SER A 31 -10.069 -34.571 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.123 -35.185 3.705 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.592 -34.652 2.912 1.00 0.00 H new ATOM 0 HG SER A 31 -11.373 -36.971 2.887 1.00 0.00 H new ATOM 447 N LYS A 32 -9.080 -32.146 2.472 1.00 0.00 N ATOM 448 CA LYS A 32 -9.249 -30.679 2.683 1.00 0.00 C ATOM 449 C LYS A 32 -7.892 -29.975 2.610 1.00 0.00 C ATOM 450 O LYS A 32 -7.055 -30.151 3.473 1.00 0.00 O ATOM 451 CB LYS A 32 -9.844 -30.550 4.086 1.00 0.00 C ATOM 452 CG LYS A 32 -11.127 -29.719 4.026 1.00 0.00 C ATOM 453 CD LYS A 32 -11.596 -29.408 5.449 1.00 0.00 C ATOM 454 CE LYS A 32 -13.051 -28.934 5.416 1.00 0.00 C ATOM 455 NZ LYS A 32 -12.974 -27.457 5.593 1.00 0.00 N ATOM 0 H LYS A 32 -8.187 -32.529 2.783 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.885 -30.222 1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.058 -31.538 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.124 -30.078 4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.949 -28.793 3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.902 -30.264 3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.506 -30.296 6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.962 -28.640 5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.531 -29.195 4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.636 -29.398 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.931 -27.052 5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.549 -27.240 6.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.388 -27.047 4.838 1.00 0.00 H new ATOM 469 N PRO A 33 -7.721 -29.196 1.576 1.00 0.00 N ATOM 470 CA PRO A 33 -6.452 -28.454 1.387 1.00 0.00 C ATOM 471 C PRO A 33 -6.346 -27.309 2.398 1.00 0.00 C ATOM 472 O PRO A 33 -7.100 -27.236 3.348 1.00 0.00 O ATOM 473 CB PRO A 33 -6.559 -27.918 -0.038 1.00 0.00 C ATOM 474 CG PRO A 33 -8.027 -27.847 -0.315 1.00 0.00 C ATOM 475 CD PRO A 33 -8.683 -28.933 0.498 1.00 0.00 C ATOM 0 HA PRO A 33 -5.567 -29.072 1.538 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.093 -26.937 -0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.055 -28.576 -0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.424 -26.869 -0.043 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.226 -27.987 -1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.647 -28.610 0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.866 -29.825 -0.101 1.00 0.00 H new ATOM 483 N GLY A 34 -5.414 -26.417 2.204 1.00 0.00 N ATOM 484 CA GLY A 34 -5.257 -25.281 3.156 1.00 0.00 C ATOM 485 C GLY A 34 -3.797 -24.822 3.158 1.00 0.00 C ATOM 486 O GLY A 34 -2.900 -25.577 2.844 1.00 0.00 O ATOM 0 H GLY A 34 -4.754 -26.426 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.909 -24.457 2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.555 -25.588 4.159 1.00 0.00 H new ATOM 490 N VAL A 35 -3.550 -23.592 3.517 1.00 0.00 N ATOM 491 CA VAL A 35 -2.144 -23.095 3.543 1.00 0.00 C ATOM 492 C VAL A 35 -1.662 -23.009 4.991 1.00 0.00 C ATOM 493 O VAL A 35 -2.198 -22.267 5.786 1.00 0.00 O ATOM 494 CB VAL A 35 -2.203 -21.703 2.911 1.00 0.00 C ATOM 495 CG1 VAL A 35 -0.929 -20.928 3.255 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.320 -21.838 1.391 1.00 0.00 C ATOM 0 H VAL A 35 -4.258 -22.911 3.793 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.455 -23.749 3.009 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.069 -21.167 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.973 -19.937 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.843 -20.831 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.062 -21.464 2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.362 -20.847 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.454 -22.376 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.228 -22.388 1.143 1.00 0.00 H new ATOM 506 N ILE A 36 -0.657 -23.760 5.344 1.00 0.00 N ATOM 507 CA ILE A 36 -0.165 -23.704 6.747 1.00 0.00 C ATOM 508 C ILE A 36 1.071 -22.816 6.827 1.00 0.00 C ATOM 509 O ILE A 36 1.996 -22.950 6.052 1.00 0.00 O ATOM 510 CB ILE A 36 0.179 -25.149 7.117 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.108 -25.897 7.478 1.00 0.00 C ATOM 512 CG2 ILE A 36 1.142 -25.159 8.314 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.778 -27.141 8.310 1.00 0.00 C ATOM 0 H ILE A 36 -0.160 -24.404 4.729 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.905 -23.285 7.428 1.00 0.00 H new ATOM 0 HB ILE A 36 0.659 -25.641 6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.774 -25.241 8.039 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.636 -26.187 6.570 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.386 -26.189 8.576 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.055 -24.625 8.051 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.669 -24.670 9.166 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.700 -27.666 8.561 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.130 -27.802 7.735 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.270 -26.841 9.226 1.00 0.00 H new ATOM 525 N PHE A 37 1.101 -21.913 7.761 1.00 0.00 N ATOM 526 CA PHE A 37 2.289 -21.026 7.881 1.00 0.00 C ATOM 527 C PHE A 37 3.241 -21.565 8.952 1.00 0.00 C ATOM 528 O PHE A 37 2.826 -21.954 10.025 1.00 0.00 O ATOM 529 CB PHE A 37 1.733 -19.664 8.302 1.00 0.00 C ATOM 530 CG PHE A 37 0.979 -19.039 7.153 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.372 -19.346 6.955 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.629 -18.151 6.287 1.00 0.00 C ATOM 533 CE1 PHE A 37 -1.073 -18.765 5.892 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.928 -17.571 5.225 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.423 -17.877 5.027 1.00 0.00 C ATOM 0 H PHE A 37 0.361 -21.750 8.443 1.00 0.00 H new ATOM 0 HA PHE A 37 2.852 -20.965 6.950 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.072 -19.781 9.161 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.547 -19.009 8.613 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.874 -20.031 7.622 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.672 -17.914 6.439 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.116 -19.002 5.739 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.430 -16.886 4.557 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.964 -17.428 4.207 1.00 0.00 H new ATOM 545 N LEU A 38 4.514 -21.575 8.677 1.00 0.00 N ATOM 546 CA LEU A 38 5.487 -22.069 9.688 1.00 0.00 C ATOM 547 C LEU A 38 6.088 -20.867 10.413 1.00 0.00 C ATOM 548 O LEU A 38 6.681 -19.998 9.804 1.00 0.00 O ATOM 549 CB LEU A 38 6.559 -22.810 8.886 1.00 0.00 C ATOM 550 CG LEU A 38 6.555 -24.293 9.269 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.919 -24.441 10.747 1.00 0.00 C ATOM 552 CD2 LEU A 38 5.164 -24.882 9.026 1.00 0.00 C ATOM 0 H LEU A 38 4.923 -21.263 7.796 1.00 0.00 H new ATOM 0 HA LEU A 38 5.035 -22.721 10.436 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.370 -22.699 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.539 -22.376 9.083 1.00 0.00 H new ATOM 0 HG LEU A 38 7.286 -24.825 8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.916 -25.497 11.019 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.911 -24.025 10.921 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.190 -23.907 11.357 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.163 -25.937 9.299 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.432 -24.349 9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.905 -24.780 7.972 1.00 0.00 H new ATOM 564 N THR A 39 5.917 -20.796 11.704 1.00 0.00 N ATOM 565 CA THR A 39 6.455 -19.630 12.460 1.00 0.00 C ATOM 566 C THR A 39 7.879 -19.910 12.934 1.00 0.00 C ATOM 567 O THR A 39 8.239 -21.031 13.232 1.00 0.00 O ATOM 568 CB THR A 39 5.519 -19.466 13.661 1.00 0.00 C ATOM 569 OG1 THR A 39 5.852 -20.429 14.650 1.00 0.00 O ATOM 570 CG2 THR A 39 4.068 -19.665 13.221 1.00 0.00 C ATOM 0 H THR A 39 5.429 -21.493 12.267 1.00 0.00 H new ATOM 0 HA THR A 39 6.496 -18.731 11.845 1.00 0.00 H new ATOM 0 HB THR A 39 5.632 -18.463 14.072 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.107 -19.972 15.479 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.408 -19.547 14.080 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.813 -18.925 12.463 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.948 -20.666 12.806 1.00 0.00 H new ATOM 578 N LYS A 40 8.691 -18.893 13.003 1.00 0.00 N ATOM 579 CA LYS A 40 10.096 -19.093 13.459 1.00 0.00 C ATOM 580 C LYS A 40 10.118 -19.530 14.926 1.00 0.00 C ATOM 581 O LYS A 40 11.029 -20.200 15.369 1.00 0.00 O ATOM 582 CB LYS A 40 10.767 -17.729 13.293 1.00 0.00 C ATOM 583 CG LYS A 40 12.186 -17.787 13.860 1.00 0.00 C ATOM 584 CD LYS A 40 12.914 -16.476 13.552 1.00 0.00 C ATOM 585 CE LYS A 40 14.275 -16.472 14.252 1.00 0.00 C ATOM 586 NZ LYS A 40 15.267 -16.653 13.154 1.00 0.00 N ATOM 0 H LYS A 40 8.444 -17.933 12.764 1.00 0.00 H new ATOM 0 HA LYS A 40 10.608 -19.869 12.890 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.796 -17.452 12.239 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.189 -16.962 13.809 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.152 -17.952 14.937 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.728 -18.627 13.426 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.046 -16.365 12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.317 -15.628 13.889 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.442 -15.537 14.786 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.345 -17.275 14.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.228 -16.661 13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.086 -17.554 12.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.180 -15.870 12.475 1.00 0.00 H new ATOM 600 N LYS A 41 9.124 -19.155 15.685 1.00 0.00 N ATOM 601 CA LYS A 41 9.096 -19.554 17.122 1.00 0.00 C ATOM 602 C LYS A 41 8.842 -21.056 17.251 1.00 0.00 C ATOM 603 O LYS A 41 8.899 -21.616 18.328 1.00 0.00 O ATOM 604 CB LYS A 41 7.946 -18.756 17.739 1.00 0.00 C ATOM 605 CG LYS A 41 8.258 -18.468 19.209 1.00 0.00 C ATOM 606 CD LYS A 41 6.953 -18.243 19.976 1.00 0.00 C ATOM 607 CE LYS A 41 6.724 -16.742 20.162 1.00 0.00 C ATOM 608 NZ LYS A 41 5.527 -16.431 19.330 1.00 0.00 N ATOM 0 H LYS A 41 8.333 -18.592 15.374 1.00 0.00 H new ATOM 0 HA LYS A 41 10.043 -19.350 17.623 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.805 -17.821 17.196 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.015 -19.316 17.657 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.809 -19.302 19.645 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.896 -17.588 19.290 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.118 -18.685 19.432 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.999 -18.738 20.946 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.552 -16.495 21.210 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.591 -16.167 19.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.306 -15.418 19.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.723 -16.670 18.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.716 -16.988 19.667 1.00 0.00 H new ATOM 622 N GLY A 42 8.568 -21.714 16.159 1.00 0.00 N ATOM 623 CA GLY A 42 8.319 -23.183 16.214 1.00 0.00 C ATOM 624 C GLY A 42 6.816 -23.458 16.317 1.00 0.00 C ATOM 625 O GLY A 42 6.350 -24.052 17.269 1.00 0.00 O ATOM 0 H GLY A 42 8.506 -21.298 15.230 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.724 -23.662 15.323 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.835 -23.616 17.071 1.00 0.00 H new ATOM 629 N ARG A 43 6.053 -23.036 15.345 1.00 0.00 N ATOM 630 CA ARG A 43 4.583 -23.284 15.396 1.00 0.00 C ATOM 631 C ARG A 43 4.018 -23.414 13.979 1.00 0.00 C ATOM 632 O ARG A 43 4.730 -23.291 13.003 1.00 0.00 O ATOM 633 CB ARG A 43 3.999 -22.056 16.096 1.00 0.00 C ATOM 634 CG ARG A 43 3.005 -22.505 17.168 1.00 0.00 C ATOM 635 CD ARG A 43 2.452 -21.278 17.895 1.00 0.00 C ATOM 636 NE ARG A 43 1.018 -21.597 18.145 1.00 0.00 N ATOM 637 CZ ARG A 43 0.630 -21.966 19.335 1.00 0.00 C ATOM 638 NH1 ARG A 43 1.472 -22.548 20.144 1.00 0.00 N ATOM 639 NH2 ARG A 43 -0.601 -21.755 19.714 1.00 0.00 N ATOM 0 H ARG A 43 6.382 -22.532 14.521 1.00 0.00 H new ATOM 0 HA ARG A 43 4.338 -24.208 15.920 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.797 -21.468 16.549 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.502 -21.413 15.370 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.191 -23.068 16.712 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.495 -23.171 17.878 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.985 -21.098 18.828 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.557 -20.378 17.289 1.00 0.00 H new ATOM 0 HE ARG A 43 0.340 -21.527 17.386 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.433 -22.714 19.846 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.169 -22.837 21.074 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.259 -21.302 19.080 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.905 -22.043 20.644 1.00 0.00 H new ATOM 653 N GLN A 44 2.742 -23.657 13.860 1.00 0.00 N ATOM 654 CA GLN A 44 2.129 -23.788 12.505 1.00 0.00 C ATOM 655 C GLN A 44 0.689 -23.276 12.536 1.00 0.00 C ATOM 656 O GLN A 44 -0.063 -23.560 13.447 1.00 0.00 O ATOM 657 CB GLN A 44 2.158 -25.283 12.171 1.00 0.00 C ATOM 658 CG GLN A 44 3.448 -25.913 12.706 1.00 0.00 C ATOM 659 CD GLN A 44 3.562 -27.355 12.205 1.00 0.00 C ATOM 660 OE1 GLN A 44 4.347 -27.643 11.323 1.00 0.00 O ATOM 661 NE2 GLN A 44 2.807 -28.279 12.733 1.00 0.00 N ATOM 0 H GLN A 44 2.096 -23.771 14.641 1.00 0.00 H new ATOM 0 HA GLN A 44 2.668 -23.206 11.758 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.292 -25.779 12.609 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.094 -25.425 11.092 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.311 -25.334 12.377 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.449 -25.895 13.796 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.148 -28.038 13.473 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.876 -29.243 12.406 1.00 0.00 H new ATOM 670 N VAL A 45 0.299 -22.522 11.547 1.00 0.00 N ATOM 671 CA VAL A 45 -1.092 -21.989 11.518 1.00 0.00 C ATOM 672 C VAL A 45 -1.854 -22.583 10.333 1.00 0.00 C ATOM 673 O VAL A 45 -1.273 -23.190 9.455 1.00 0.00 O ATOM 674 CB VAL A 45 -0.932 -20.479 11.353 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.308 -19.844 11.137 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.290 -19.894 12.612 1.00 0.00 C ATOM 0 H VAL A 45 0.884 -22.251 10.756 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.654 -22.241 12.417 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.296 -20.271 10.493 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.197 -18.766 11.019 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.765 -20.262 10.240 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.943 -20.051 11.998 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.175 -18.816 12.495 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.925 -20.100 13.474 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.689 -20.348 12.766 1.00 0.00 H new ATOM 686 N CYS A 46 -3.148 -22.409 10.297 1.00 0.00 N ATOM 687 CA CYS A 46 -3.942 -22.966 9.163 1.00 0.00 C ATOM 688 C CYS A 46 -4.871 -21.889 8.606 1.00 0.00 C ATOM 689 O CYS A 46 -5.786 -21.448 9.266 1.00 0.00 O ATOM 690 CB CYS A 46 -4.760 -24.109 9.771 1.00 0.00 C ATOM 691 SG CYS A 46 -3.704 -25.560 10.001 1.00 0.00 S ATOM 0 H CYS A 46 -3.689 -21.907 11.001 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.311 -23.309 8.343 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.181 -23.799 10.727 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.598 -24.357 9.119 1.00 0.00 H new ATOM 696 N ALA A 47 -4.643 -21.455 7.399 1.00 0.00 N ATOM 697 CA ALA A 47 -5.520 -20.397 6.822 1.00 0.00 C ATOM 698 C ALA A 47 -6.153 -20.868 5.513 1.00 0.00 C ATOM 699 O ALA A 47 -5.659 -21.759 4.853 1.00 0.00 O ATOM 700 CB ALA A 47 -4.592 -19.209 6.567 1.00 0.00 C ATOM 0 H ALA A 47 -3.894 -21.783 6.790 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.342 -20.143 7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.164 -18.385 6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.143 -18.890 7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.807 -19.504 5.871 1.00 0.00 H new ATOM 706 N LYS A 48 -7.247 -20.267 5.138 1.00 0.00 N ATOM 707 CA LYS A 48 -7.927 -20.664 3.872 1.00 0.00 C ATOM 708 C LYS A 48 -6.978 -20.479 2.684 1.00 0.00 C ATOM 709 O LYS A 48 -5.852 -20.056 2.851 1.00 0.00 O ATOM 710 CB LYS A 48 -9.118 -19.714 3.762 1.00 0.00 C ATOM 711 CG LYS A 48 -10.414 -20.495 3.995 1.00 0.00 C ATOM 712 CD LYS A 48 -11.567 -19.514 4.210 1.00 0.00 C ATOM 713 CE LYS A 48 -11.964 -18.894 2.870 1.00 0.00 C ATOM 714 NZ LYS A 48 -12.724 -17.663 3.228 1.00 0.00 N ATOM 0 H LYS A 48 -7.702 -19.515 5.655 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.234 -21.710 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.027 -18.912 4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.134 -19.246 2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.623 -21.137 3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.309 -21.145 4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.420 -20.030 4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.269 -18.734 4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.086 -18.656 2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.576 -19.579 2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.032 -17.180 2.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.557 -17.922 3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.114 -17.027 3.780 1.00 0.00 H new ATOM 728 N PRO A 49 -7.470 -20.804 1.519 1.00 0.00 N ATOM 729 CA PRO A 49 -6.653 -20.670 0.288 1.00 0.00 C ATOM 730 C PRO A 49 -6.446 -19.192 -0.056 1.00 0.00 C ATOM 731 O PRO A 49 -5.376 -18.782 -0.461 1.00 0.00 O ATOM 732 CB PRO A 49 -7.492 -21.371 -0.778 1.00 0.00 C ATOM 733 CG PRO A 49 -8.896 -21.299 -0.268 1.00 0.00 C ATOM 734 CD PRO A 49 -8.815 -21.319 1.236 1.00 0.00 C ATOM 0 HA PRO A 49 -5.656 -21.099 0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.397 -20.877 -1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.174 -22.404 -0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.388 -20.391 -0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.484 -22.140 -0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.586 -20.694 1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.949 -22.326 1.631 1.00 0.00 H new ATOM 742 N SER A 50 -7.460 -18.387 0.107 1.00 0.00 N ATOM 743 CA SER A 50 -7.317 -16.935 -0.206 1.00 0.00 C ATOM 744 C SER A 50 -7.939 -16.091 0.910 1.00 0.00 C ATOM 745 O SER A 50 -8.564 -15.079 0.661 1.00 0.00 O ATOM 746 CB SER A 50 -8.073 -16.733 -1.519 1.00 0.00 C ATOM 747 OG SER A 50 -7.401 -17.423 -2.563 1.00 0.00 O ATOM 0 H SER A 50 -8.380 -18.670 0.443 1.00 0.00 H new ATOM 0 HA SER A 50 -6.273 -16.632 -0.289 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.094 -17.102 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.138 -15.671 -1.754 1.00 0.00 H new ATOM 0 HG SER A 50 -7.886 -17.295 -3.405 1.00 0.00 H new ATOM 753 N GLY A 51 -7.772 -16.499 2.138 1.00 0.00 N ATOM 754 CA GLY A 51 -8.351 -15.720 3.269 1.00 0.00 C ATOM 755 C GLY A 51 -7.759 -14.310 3.272 1.00 0.00 C ATOM 756 O GLY A 51 -6.686 -14.085 2.747 1.00 0.00 O ATOM 0 H GLY A 51 -7.259 -17.339 2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.436 -15.670 3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.137 -16.218 4.215 1.00 0.00 H new ATOM 760 N PRO A 52 -8.483 -13.401 3.869 1.00 0.00 N ATOM 761 CA PRO A 52 -8.029 -11.991 3.943 1.00 0.00 C ATOM 762 C PRO A 52 -6.821 -11.874 4.875 1.00 0.00 C ATOM 763 O PRO A 52 -6.954 -11.839 6.082 1.00 0.00 O ATOM 764 CB PRO A 52 -9.239 -11.254 4.509 1.00 0.00 C ATOM 765 CG PRO A 52 -10.007 -12.298 5.253 1.00 0.00 C ATOM 766 CD PRO A 52 -9.779 -13.599 4.529 1.00 0.00 C ATOM 0 HA PRO A 52 -7.709 -11.587 2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.934 -10.441 5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.840 -10.811 3.715 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.668 -12.365 6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.068 -12.051 5.281 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.754 -14.443 5.218 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.570 -13.801 3.807 1.00 0.00 H new ATOM 774 N GLY A 53 -5.645 -11.816 4.319 1.00 0.00 N ATOM 775 CA GLY A 53 -4.424 -11.708 5.163 1.00 0.00 C ATOM 776 C GLY A 53 -3.503 -12.890 4.866 1.00 0.00 C ATOM 777 O GLY A 53 -2.296 -12.794 4.973 1.00 0.00 O ATOM 0 H GLY A 53 -5.476 -11.839 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.908 -10.769 4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.696 -11.700 6.218 1.00 0.00 H new ATOM 781 N VAL A 54 -4.062 -14.007 4.484 1.00 0.00 N ATOM 782 CA VAL A 54 -3.216 -15.193 4.172 1.00 0.00 C ATOM 783 C VAL A 54 -2.301 -14.877 2.996 1.00 0.00 C ATOM 784 O VAL A 54 -1.113 -15.132 3.032 1.00 0.00 O ATOM 785 CB VAL A 54 -4.203 -16.301 3.805 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.434 -17.591 3.514 1.00 0.00 C ATOM 787 CG2 VAL A 54 -5.169 -16.533 4.969 1.00 0.00 C ATOM 0 H VAL A 54 -5.066 -14.148 4.375 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.578 -15.483 5.007 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.767 -16.006 2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.137 -18.382 3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.747 -17.426 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.869 -17.885 4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.872 -17.323 4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.607 -16.828 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.717 -15.614 5.176 1.00 0.00 H new ATOM 797 N GLN A 55 -2.838 -14.310 1.955 1.00 0.00 N ATOM 798 CA GLN A 55 -1.986 -13.969 0.786 1.00 0.00 C ATOM 799 C GLN A 55 -1.010 -12.871 1.194 1.00 0.00 C ATOM 800 O GLN A 55 0.054 -12.729 0.629 1.00 0.00 O ATOM 801 CB GLN A 55 -2.947 -13.469 -0.292 1.00 0.00 C ATOM 802 CG GLN A 55 -2.145 -12.853 -1.443 1.00 0.00 C ATOM 803 CD GLN A 55 -1.160 -13.887 -1.989 1.00 0.00 C ATOM 804 OE1 GLN A 55 -0.136 -13.534 -2.542 1.00 0.00 O ATOM 805 NE2 GLN A 55 -1.426 -15.157 -1.861 1.00 0.00 N ATOM 0 H GLN A 55 -3.825 -14.069 1.863 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.404 -14.817 0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.558 -14.293 -0.660 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.629 -12.729 0.128 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.819 -12.524 -2.234 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.607 -11.971 -1.095 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.285 -15.454 -1.397 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.775 -15.853 -2.225 1.00 0.00 H new ATOM 814 N ASP A 56 -1.359 -12.107 2.193 1.00 0.00 N ATOM 815 CA ASP A 56 -0.440 -11.041 2.661 1.00 0.00 C ATOM 816 C ASP A 56 0.770 -11.691 3.328 1.00 0.00 C ATOM 817 O ASP A 56 1.894 -11.260 3.158 1.00 0.00 O ATOM 818 CB ASP A 56 -1.248 -10.228 3.668 1.00 0.00 C ATOM 819 CG ASP A 56 -1.739 -8.939 3.006 1.00 0.00 C ATOM 820 OD1 ASP A 56 -1.777 -8.899 1.786 1.00 0.00 O ATOM 821 OD2 ASP A 56 -2.069 -8.012 3.728 1.00 0.00 O ATOM 0 H ASP A 56 -2.240 -12.178 2.702 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.071 -10.409 1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.096 -10.812 4.026 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.634 -9.992 4.537 1.00 0.00 H new ATOM 826 N CYS A 57 0.551 -12.747 4.072 1.00 0.00 N ATOM 827 CA CYS A 57 1.698 -13.432 4.727 1.00 0.00 C ATOM 828 C CYS A 57 2.611 -14.017 3.651 1.00 0.00 C ATOM 829 O CYS A 57 3.813 -13.844 3.679 1.00 0.00 O ATOM 830 CB CYS A 57 1.085 -14.553 5.573 1.00 0.00 C ATOM 831 SG CYS A 57 0.190 -13.871 6.995 1.00 0.00 S ATOM 0 H CYS A 57 -0.365 -13.158 4.251 1.00 0.00 H new ATOM 0 HA CYS A 57 2.292 -12.755 5.341 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.406 -15.147 4.961 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.871 -15.224 5.920 1.00 0.00 H new ATOM 836 N MET A 58 2.045 -14.706 2.695 1.00 0.00 N ATOM 837 CA MET A 58 2.880 -15.298 1.613 1.00 0.00 C ATOM 838 C MET A 58 3.403 -14.202 0.684 1.00 0.00 C ATOM 839 O MET A 58 4.367 -14.390 -0.029 1.00 0.00 O ATOM 840 CB MET A 58 1.949 -16.236 0.852 1.00 0.00 C ATOM 841 CG MET A 58 1.127 -17.061 1.846 1.00 0.00 C ATOM 842 SD MET A 58 0.525 -18.564 1.037 1.00 0.00 S ATOM 843 CE MET A 58 -0.140 -17.776 -0.448 1.00 0.00 C ATOM 0 H MET A 58 1.043 -14.883 2.618 1.00 0.00 H new ATOM 0 HA MET A 58 3.749 -15.821 2.012 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.286 -15.661 0.205 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.529 -16.897 0.208 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.738 -17.321 2.711 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.287 -16.473 2.215 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.809 -18.469 -0.959 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.692 -16.879 -0.168 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.679 -17.505 -1.114 1.00 0.00 H new ATOM 853 N LYS A 59 2.782 -13.055 0.689 1.00 0.00 N ATOM 854 CA LYS A 59 3.261 -11.958 -0.194 1.00 0.00 C ATOM 855 C LYS A 59 4.643 -11.518 0.277 1.00 0.00 C ATOM 856 O LYS A 59 5.590 -11.477 -0.482 1.00 0.00 O ATOM 857 CB LYS A 59 2.244 -10.829 -0.027 1.00 0.00 C ATOM 858 CG LYS A 59 2.609 -9.670 -0.959 1.00 0.00 C ATOM 859 CD LYS A 59 1.496 -8.621 -0.930 1.00 0.00 C ATOM 860 CE LYS A 59 1.744 -7.581 -2.025 1.00 0.00 C ATOM 861 NZ LYS A 59 1.647 -6.265 -1.332 1.00 0.00 N ATOM 0 H LYS A 59 1.969 -12.832 1.263 1.00 0.00 H new ATOM 0 HA LYS A 59 3.345 -12.257 -1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.242 -11.191 -0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.231 -10.487 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.553 -9.223 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.750 -10.038 -1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.528 -9.099 -1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.464 -8.136 0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.724 -7.715 -2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.006 -7.663 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.806 -5.499 -2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.701 -6.163 -0.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.366 -6.213 -0.583 1.00 0.00 H new ATOM 875 N LYS A 60 4.767 -11.210 1.536 1.00 0.00 N ATOM 876 CA LYS A 60 6.091 -10.796 2.069 1.00 0.00 C ATOM 877 C LYS A 60 7.039 -11.998 2.082 1.00 0.00 C ATOM 878 O LYS A 60 8.242 -11.853 2.001 1.00 0.00 O ATOM 879 CB LYS A 60 5.811 -10.317 3.493 1.00 0.00 C ATOM 880 CG LYS A 60 7.127 -10.231 4.268 1.00 0.00 C ATOM 881 CD LYS A 60 8.130 -9.396 3.473 1.00 0.00 C ATOM 882 CE LYS A 60 9.499 -9.459 4.152 1.00 0.00 C ATOM 883 NZ LYS A 60 9.413 -8.483 5.274 1.00 0.00 N ATOM 0 H LYS A 60 4.009 -11.227 2.218 1.00 0.00 H new ATOM 0 HA LYS A 60 6.562 -10.019 1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.325 -9.342 3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.127 -11.004 3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.957 -9.781 5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.526 -11.231 4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.201 -9.770 2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.790 -8.362 3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.714 -10.463 4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.297 -9.195 3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.148 -7.756 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.476 -8.032 5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.555 -8.979 6.177 1.00 0.00 H new ATOM 897 N LEU A 61 6.504 -13.187 2.191 1.00 0.00 N ATOM 898 CA LEU A 61 7.375 -14.397 2.218 1.00 0.00 C ATOM 899 C LEU A 61 7.842 -14.757 0.806 1.00 0.00 C ATOM 900 O LEU A 61 8.619 -15.672 0.615 1.00 0.00 O ATOM 901 CB LEU A 61 6.489 -15.503 2.795 1.00 0.00 C ATOM 902 CG LEU A 61 6.922 -15.823 4.231 1.00 0.00 C ATOM 903 CD1 LEU A 61 7.203 -14.525 4.993 1.00 0.00 C ATOM 904 CD2 LEU A 61 5.802 -16.590 4.937 1.00 0.00 C ATOM 0 H LEU A 61 5.503 -13.371 2.262 1.00 0.00 H new ATOM 0 HA LEU A 61 8.277 -14.243 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.445 -15.189 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.560 -16.398 2.177 1.00 0.00 H new ATOM 0 HG LEU A 61 7.828 -16.428 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.510 -14.760 6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.999 -13.974 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.300 -13.915 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.106 -16.819 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.899 -15.980 4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.602 -17.518 4.401 1.00 0.00 H new ATOM 916 N LYS A 62 7.375 -14.052 -0.183 1.00 0.00 N ATOM 917 CA LYS A 62 7.793 -14.362 -1.579 1.00 0.00 C ATOM 918 C LYS A 62 9.274 -14.016 -1.777 1.00 0.00 C ATOM 919 O LYS A 62 9.694 -12.909 -1.506 1.00 0.00 O ATOM 920 CB LYS A 62 6.913 -13.481 -2.466 1.00 0.00 C ATOM 921 CG LYS A 62 6.465 -14.283 -3.691 1.00 0.00 C ATOM 922 CD LYS A 62 5.730 -13.362 -4.666 1.00 0.00 C ATOM 923 CE LYS A 62 6.480 -13.328 -5.999 1.00 0.00 C ATOM 924 NZ LYS A 62 5.827 -12.236 -6.775 1.00 0.00 N ATOM 0 H LYS A 62 6.722 -13.274 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 62 7.678 -15.419 -1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.044 -13.135 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.465 -12.595 -2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.329 -14.732 -4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.812 -15.100 -3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.711 -13.716 -4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.659 -12.357 -4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.541 -13.128 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.405 -14.283 -6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.285 -12.149 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.819 -12.457 -6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.920 -11.339 -6.257 1.00 0.00 H new ATOM 938 N PRO A 63 10.014 -14.983 -2.247 1.00 0.00 N ATOM 939 CA PRO A 63 11.465 -14.783 -2.487 1.00 0.00 C ATOM 940 C PRO A 63 11.685 -13.894 -3.712 1.00 0.00 C ATOM 941 O PRO A 63 10.763 -13.303 -4.237 1.00 0.00 O ATOM 942 CB PRO A 63 11.984 -16.196 -2.742 1.00 0.00 C ATOM 943 CG PRO A 63 10.795 -16.962 -3.230 1.00 0.00 C ATOM 944 CD PRO A 63 9.577 -16.340 -2.597 1.00 0.00 C ATOM 0 HA PRO A 63 11.973 -14.290 -1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.784 -16.195 -3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.392 -16.637 -1.832 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.729 -16.919 -4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.876 -18.014 -2.957 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.733 -16.322 -3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.257 -16.896 -1.716 1.00 0.00 H new ATOM 952 N TYR A 64 12.903 -13.793 -4.172 1.00 0.00 N ATOM 953 CA TYR A 64 13.182 -12.941 -5.363 1.00 0.00 C ATOM 954 C TYR A 64 12.789 -11.490 -5.074 1.00 0.00 C ATOM 955 O TYR A 64 11.712 -11.048 -5.420 1.00 0.00 O ATOM 956 CB TYR A 64 12.314 -13.523 -6.480 1.00 0.00 C ATOM 957 CG TYR A 64 12.522 -15.017 -6.552 1.00 0.00 C ATOM 958 CD1 TYR A 64 13.806 -15.534 -6.761 1.00 0.00 C ATOM 959 CD2 TYR A 64 11.432 -15.884 -6.408 1.00 0.00 C ATOM 960 CE1 TYR A 64 14.000 -16.920 -6.826 1.00 0.00 C ATOM 961 CE2 TYR A 64 11.626 -17.269 -6.473 1.00 0.00 C ATOM 962 CZ TYR A 64 12.911 -17.787 -6.682 1.00 0.00 C ATOM 963 OH TYR A 64 13.103 -19.152 -6.747 1.00 0.00 O ATOM 0 H TYR A 64 13.716 -14.263 -3.775 1.00 0.00 H new ATOM 0 HA TYR A 64 14.238 -12.937 -5.632 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.264 -13.300 -6.293 1.00 0.00 H new ATOM 0 HB3 TYR A 64 12.573 -13.063 -7.434 1.00 0.00 H new ATOM 0 HD1 TYR A 64 14.646 -14.865 -6.872 1.00 0.00 H new ATOM 0 HD2 TYR A 64 10.442 -15.484 -6.247 1.00 0.00 H new ATOM 0 HE1 TYR A 64 14.990 -17.319 -6.987 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.785 -17.938 -6.362 1.00 0.00 H new ATOM 0 HH TYR A 64 12.245 -19.609 -6.626 1.00 0.00 H new ATOM 973 N SER A 65 13.653 -10.747 -4.440 1.00 0.00 N ATOM 974 CA SER A 65 13.329 -9.326 -4.126 1.00 0.00 C ATOM 975 C SER A 65 13.688 -8.426 -5.311 1.00 0.00 C ATOM 976 O SER A 65 14.838 -8.304 -5.684 1.00 0.00 O ATOM 977 CB SER A 65 14.191 -8.983 -2.912 1.00 0.00 C ATOM 978 OG SER A 65 13.766 -9.755 -1.799 1.00 0.00 O ATOM 0 H SER A 65 14.571 -11.062 -4.125 1.00 0.00 H new ATOM 0 HA SER A 65 12.267 -9.179 -3.927 1.00 0.00 H new ATOM 0 HB2 SER A 65 15.240 -9.184 -3.129 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.111 -7.920 -2.684 1.00 0.00 H new ATOM 0 HG SER A 65 14.319 -9.538 -1.020 1.00 0.00 H new ATOM 984 N ILE A 66 12.713 -7.793 -5.903 1.00 0.00 N ATOM 985 CA ILE A 66 12.999 -6.899 -7.062 1.00 0.00 C ATOM 986 C ILE A 66 13.935 -7.597 -8.052 1.00 0.00 C ATOM 987 O ILE A 66 13.439 -8.352 -8.873 1.00 0.00 O ATOM 988 CB ILE A 66 13.681 -5.674 -6.453 1.00 0.00 C ATOM 989 CG1 ILE A 66 12.669 -4.887 -5.619 1.00 0.00 C ATOM 990 CG2 ILE A 66 14.223 -4.782 -7.571 1.00 0.00 C ATOM 991 CD1 ILE A 66 11.511 -4.439 -6.512 1.00 0.00 C ATOM 992 OXT ILE A 66 15.129 -7.364 -7.974 1.00 0.00 O ATOM 0 H ILE A 66 11.731 -7.856 -5.635 1.00 0.00 H new ATOM 0 HA ILE A 66 12.097 -6.634 -7.613 1.00 0.00 H new ATOM 0 HB ILE A 66 14.504 -5.998 -5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.295 -5.505 -4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 66 13.150 -4.020 -5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 66 14.709 -3.909 -7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 66 14.946 -5.342 -8.165 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.401 -4.459 -8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.789 -3.878 -5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.893 -3.805 -7.312 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.024 -5.314 -6.943 1.00 0.00 H new TER 1004 ILE A 66