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 23 TYR OH : rot 30:sc= 0.0224 USER MOD Set 1.2: A 62 LYS NZ :NH3+ -159:sc= 0.0191 (180deg=0) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0659 USER MOD Single : A 9 SER OG : rot -84:sc= -0.765 USER MOD Single : A 10 TYR OH : rot 27:sc= 0.541 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0846 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0671 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -114:sc= -14.3! (180deg=-23.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00868 USER MOD Single : A 26 THR OG1 : rot 83:sc= -0.301 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= 0.0276 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 120:sc= -1.01 USER MOD Single : A 40 LYS NZ :NH3+ -136:sc=-0.000386 (180deg=-0.14) USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.248) USER MOD Single : A 44 GLN : amide:sc= -0.0245 K(o=-0.025,f=-1.9!) 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= -0.226 K(o=-0.23,f=-2.1!) USER MOD Single : A 58 MET CE :methyl -167:sc= -1.4 (180deg=-2.05!) 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 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 12.563 -33.349 8.284 1.00 0.00 N ATOM 2 CA HIS A 1 11.420 -34.307 8.328 1.00 0.00 C ATOM 3 C HIS A 1 10.294 -33.829 7.405 1.00 0.00 C ATOM 4 O HIS A 1 9.288 -33.317 7.853 1.00 0.00 O ATOM 5 CB HIS A 1 10.957 -34.302 9.785 1.00 0.00 C ATOM 6 CG HIS A 1 11.813 -35.243 10.585 1.00 0.00 C ATOM 7 ND1 HIS A 1 11.744 -36.619 10.431 1.00 0.00 N ATOM 8 CD2 HIS A 1 12.764 -35.023 11.551 1.00 0.00 C ATOM 9 CE1 HIS A 1 12.629 -37.168 11.283 1.00 0.00 C ATOM 10 NE2 HIS A 1 13.278 -36.240 11.990 1.00 0.00 N ATOM 0 H1 HIS A 1 13.320 -33.683 8.913 1.00 0.00 H new ATOM 0 H2 HIS A 1 12.925 -33.284 7.311 1.00 0.00 H new ATOM 0 H3 HIS A 1 12.242 -32.411 8.597 1.00 0.00 H new ATOM 0 HA HIS A 1 11.703 -35.305 7.993 1.00 0.00 H new ATOM 0 HB2 HIS A 1 11.024 -33.294 10.196 1.00 0.00 H new ATOM 0 HB3 HIS A 1 9.911 -34.603 9.847 1.00 0.00 H new ATOM 0 HD2 HIS A 1 13.067 -34.053 11.915 1.00 0.00 H new ATOM 0 HE1 HIS A 1 12.794 -38.231 11.383 1.00 0.00 H new ATOM 0 HE2 HIS A 1 13.996 -36.390 12.699 1.00 0.00 H new ATOM 20 N PHE A 2 10.457 -33.993 6.121 1.00 0.00 N ATOM 21 CA PHE A 2 9.395 -33.547 5.173 1.00 0.00 C ATOM 22 C PHE A 2 8.296 -34.608 5.071 1.00 0.00 C ATOM 23 O PHE A 2 8.559 -35.766 4.818 1.00 0.00 O ATOM 24 CB PHE A 2 10.107 -33.378 3.831 1.00 0.00 C ATOM 25 CG PHE A 2 9.409 -32.310 3.022 1.00 0.00 C ATOM 26 CD1 PHE A 2 9.084 -31.085 3.616 1.00 0.00 C ATOM 27 CD2 PHE A 2 9.085 -32.546 1.680 1.00 0.00 C ATOM 28 CE1 PHE A 2 8.437 -30.095 2.868 1.00 0.00 C ATOM 29 CE2 PHE A 2 8.438 -31.554 0.933 1.00 0.00 C ATOM 30 CZ PHE A 2 8.114 -30.329 1.526 1.00 0.00 C ATOM 0 H PHE A 2 11.278 -34.416 5.687 1.00 0.00 H new ATOM 0 HA PHE A 2 8.914 -32.624 5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 2 11.150 -33.104 3.992 1.00 0.00 H new ATOM 0 HB3 PHE A 2 10.106 -34.322 3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 2 9.332 -30.904 4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 2 9.334 -33.492 1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.187 -29.150 3.326 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.189 -31.735 -0.102 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.615 -29.564 0.949 1.00 0.00 H new ATOM 40 N ALA A 3 7.065 -34.218 5.265 1.00 0.00 N ATOM 41 CA ALA A 3 5.948 -35.202 5.179 1.00 0.00 C ATOM 42 C ALA A 3 4.694 -34.531 4.616 1.00 0.00 C ATOM 43 O ALA A 3 4.765 -33.506 3.966 1.00 0.00 O ATOM 44 CB ALA A 3 5.710 -35.658 6.620 1.00 0.00 C ATOM 0 H ALA A 3 6.785 -33.261 5.479 1.00 0.00 H new ATOM 0 HA ALA A 3 6.184 -36.038 4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.899 -36.386 6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.619 -36.115 7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 3 5.442 -34.798 7.234 1.00 0.00 H new ATOM 50 N ALA A 4 3.545 -35.101 4.858 1.00 0.00 N ATOM 51 CA ALA A 4 2.286 -34.495 4.335 1.00 0.00 C ATOM 52 C ALA A 4 1.518 -33.812 5.470 1.00 0.00 C ATOM 53 O ALA A 4 1.323 -34.377 6.528 1.00 0.00 O ATOM 54 CB ALA A 4 1.485 -35.671 3.775 1.00 0.00 C ATOM 0 H ALA A 4 3.423 -35.960 5.395 1.00 0.00 H new ATOM 0 HA ALA A 4 2.475 -33.734 3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.541 -35.308 3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.057 -36.157 2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.286 -36.388 4.572 1.00 0.00 H new ATOM 60 N ASP A 5 1.082 -32.600 5.260 1.00 0.00 N ATOM 61 CA ASP A 5 0.329 -31.885 6.331 1.00 0.00 C ATOM 62 C ASP A 5 -1.022 -31.400 5.798 1.00 0.00 C ATOM 63 O ASP A 5 -1.195 -31.186 4.614 1.00 0.00 O ATOM 64 CB ASP A 5 1.213 -30.697 6.710 1.00 0.00 C ATOM 65 CG ASP A 5 2.588 -31.203 7.148 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.655 -32.307 7.663 1.00 0.00 O ATOM 67 OD2 ASP A 5 3.552 -30.479 6.960 1.00 0.00 O ATOM 0 H ASP A 5 1.214 -32.075 4.396 1.00 0.00 H new ATOM 0 HA ASP A 5 0.119 -32.527 7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.316 -30.021 5.861 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.750 -30.128 7.516 1.00 0.00 H new ATOM 72 N CYS A 6 -1.981 -31.223 6.666 1.00 0.00 N ATOM 73 CA CYS A 6 -3.322 -30.749 6.215 1.00 0.00 C ATOM 74 C CYS A 6 -3.965 -29.888 7.306 1.00 0.00 C ATOM 75 O CYS A 6 -3.727 -30.082 8.482 1.00 0.00 O ATOM 76 CB CYS A 6 -4.136 -32.022 5.981 1.00 0.00 C ATOM 77 SG CYS A 6 -3.283 -33.068 4.775 1.00 0.00 S ATOM 0 H CYS A 6 -1.894 -31.386 7.669 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.266 -30.135 5.316 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.266 -32.561 6.919 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.132 -31.768 5.619 1.00 0.00 H new ATOM 82 N CYS A 7 -4.772 -28.933 6.929 1.00 0.00 N ATOM 83 CA CYS A 7 -5.419 -28.061 7.947 1.00 0.00 C ATOM 84 C CYS A 7 -6.790 -28.612 8.345 1.00 0.00 C ATOM 85 O CYS A 7 -7.565 -29.040 7.513 1.00 0.00 O ATOM 86 CB CYS A 7 -5.574 -26.706 7.260 1.00 0.00 C ATOM 87 SG CYS A 7 -4.204 -25.623 7.733 1.00 0.00 S ATOM 0 H CYS A 7 -5.010 -28.720 5.960 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.830 -28.000 8.862 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.591 -26.836 6.178 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.524 -26.251 7.541 1.00 0.00 H new ATOM 92 N THR A 8 -7.100 -28.584 9.611 1.00 0.00 N ATOM 93 CA THR A 8 -8.428 -29.085 10.071 1.00 0.00 C ATOM 94 C THR A 8 -9.350 -27.893 10.321 1.00 0.00 C ATOM 95 O THR A 8 -10.560 -28.008 10.308 1.00 0.00 O ATOM 96 CB THR A 8 -8.154 -29.835 11.378 1.00 0.00 C ATOM 97 OG1 THR A 8 -6.795 -29.653 11.758 1.00 0.00 O ATOM 98 CG2 THR A 8 -8.438 -31.324 11.179 1.00 0.00 C ATOM 0 H THR A 8 -6.490 -28.235 10.350 1.00 0.00 H new ATOM 0 HA THR A 8 -8.909 -29.733 9.338 1.00 0.00 H new ATOM 0 HB THR A 8 -8.801 -29.444 12.163 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.622 -30.132 12.595 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.243 -31.859 12.109 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.481 -31.460 10.893 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.792 -31.716 10.393 1.00 0.00 H new ATOM 106 N SER A 9 -8.773 -26.745 10.543 1.00 0.00 N ATOM 107 CA SER A 9 -9.585 -25.521 10.791 1.00 0.00 C ATOM 108 C SER A 9 -8.723 -24.281 10.534 1.00 0.00 C ATOM 109 O SER A 9 -7.541 -24.271 10.817 1.00 0.00 O ATOM 110 CB SER A 9 -9.994 -25.598 12.263 1.00 0.00 C ATOM 111 OG SER A 9 -9.741 -26.905 12.759 1.00 0.00 O ATOM 0 H SER A 9 -7.763 -26.601 10.563 1.00 0.00 H new ATOM 0 HA SER A 9 -10.457 -25.456 10.140 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.437 -24.863 12.845 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.051 -25.355 12.371 1.00 0.00 H new ATOM 0 HG SER A 9 -10.496 -27.490 12.539 1.00 0.00 H new ATOM 117 N TYR A 10 -9.296 -23.242 9.995 1.00 0.00 N ATOM 118 CA TYR A 10 -8.495 -22.014 9.717 1.00 0.00 C ATOM 119 C TYR A 10 -8.526 -21.073 10.927 1.00 0.00 C ATOM 120 O TYR A 10 -9.303 -21.251 11.844 1.00 0.00 O ATOM 121 CB TYR A 10 -9.168 -21.372 8.504 1.00 0.00 C ATOM 122 CG TYR A 10 -9.187 -22.364 7.362 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.985 -22.776 6.771 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.405 -22.880 6.901 1.00 0.00 C ATOM 125 CE1 TYR A 10 -8.001 -23.698 5.718 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.421 -23.803 5.848 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.219 -24.213 5.257 1.00 0.00 C ATOM 128 OH TYR A 10 -9.235 -25.122 4.220 1.00 0.00 O ATOM 0 H TYR A 10 -10.281 -23.188 9.735 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.445 -22.236 9.525 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.184 -21.069 8.755 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.630 -20.471 8.210 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.045 -22.382 7.128 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.332 -22.566 7.358 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.074 -24.012 5.261 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.360 -24.199 5.491 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.388 -25.615 4.204 1.00 0.00 H new ATOM 138 N ILE A 11 -7.678 -20.078 10.939 1.00 0.00 N ATOM 139 CA ILE A 11 -7.649 -19.132 12.094 1.00 0.00 C ATOM 140 C ILE A 11 -8.973 -18.368 12.191 1.00 0.00 C ATOM 141 O ILE A 11 -9.867 -18.552 11.390 1.00 0.00 O ATOM 142 CB ILE A 11 -6.483 -18.172 11.812 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.904 -17.116 10.781 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.276 -18.948 11.286 1.00 0.00 C ATOM 145 CD1 ILE A 11 -7.085 -17.771 9.410 1.00 0.00 C ATOM 0 H ILE A 11 -7.004 -19.879 10.199 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.516 -19.652 13.043 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.211 -17.675 12.743 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.834 -16.641 11.093 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.150 -16.331 10.722 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.456 -18.257 11.090 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.963 -19.681 12.029 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.547 -19.461 10.363 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.384 -17.016 8.683 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.145 -18.225 9.097 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.856 -18.539 9.473 1.00 0.00 H new ATOM 157 N SER A 12 -9.105 -17.509 13.167 1.00 0.00 N ATOM 158 CA SER A 12 -10.370 -16.734 13.314 1.00 0.00 C ATOM 159 C SER A 12 -10.185 -15.315 12.778 1.00 0.00 C ATOM 160 O SER A 12 -11.136 -14.616 12.489 1.00 0.00 O ATOM 161 CB SER A 12 -10.655 -16.707 14.816 1.00 0.00 C ATOM 162 OG SER A 12 -9.475 -17.036 15.535 1.00 0.00 O ATOM 0 H SER A 12 -8.391 -17.311 13.868 1.00 0.00 H new ATOM 0 HA SER A 12 -11.192 -17.181 12.755 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.008 -15.719 15.111 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.448 -17.414 15.058 1.00 0.00 H new ATOM 0 HG SER A 12 -9.662 -17.016 16.497 1.00 0.00 H new ATOM 168 N GLN A 13 -8.965 -14.891 12.641 1.00 0.00 N ATOM 169 CA GLN A 13 -8.699 -13.518 12.120 1.00 0.00 C ATOM 170 C GLN A 13 -7.631 -13.569 11.027 1.00 0.00 C ATOM 171 O GLN A 13 -7.313 -14.616 10.502 1.00 0.00 O ATOM 172 CB GLN A 13 -8.197 -12.719 13.324 1.00 0.00 C ATOM 173 CG GLN A 13 -7.139 -13.530 14.073 1.00 0.00 C ATOM 174 CD GLN A 13 -6.604 -12.707 15.248 1.00 0.00 C ATOM 175 OE1 GLN A 13 -5.601 -12.034 15.126 1.00 0.00 O ATOM 176 NE2 GLN A 13 -7.237 -12.733 16.389 1.00 0.00 N ATOM 0 H GLN A 13 -8.133 -15.436 12.867 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.588 -13.067 11.679 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.775 -11.770 12.993 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.028 -12.484 13.989 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.570 -14.464 14.435 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.324 -13.795 13.399 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.080 -13.298 16.492 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.889 -12.188 17.178 1.00 0.00 H new ATOM 185 N SER A 14 -7.080 -12.445 10.676 1.00 0.00 N ATOM 186 CA SER A 14 -6.035 -12.428 9.613 1.00 0.00 C ATOM 187 C SER A 14 -4.824 -13.263 10.043 1.00 0.00 C ATOM 188 O SER A 14 -4.568 -13.441 11.218 1.00 0.00 O ATOM 189 CB SER A 14 -5.646 -10.957 9.466 1.00 0.00 C ATOM 190 OG SER A 14 -6.806 -10.147 9.590 1.00 0.00 O ATOM 0 H SER A 14 -7.306 -11.535 11.078 1.00 0.00 H new ATOM 0 HA SER A 14 -6.394 -12.852 8.675 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.916 -10.685 10.228 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.174 -10.789 8.498 1.00 0.00 H new ATOM 0 HG SER A 14 -6.558 -9.204 9.498 1.00 0.00 H new ATOM 196 N ILE A 15 -4.076 -13.772 9.102 1.00 0.00 N ATOM 197 CA ILE A 15 -2.882 -14.591 9.457 1.00 0.00 C ATOM 198 C ILE A 15 -1.778 -13.683 10.014 1.00 0.00 C ATOM 199 O ILE A 15 -1.527 -12.615 9.493 1.00 0.00 O ATOM 200 CB ILE A 15 -2.450 -15.245 8.140 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.273 -16.515 7.915 1.00 0.00 C ATOM 202 CG2 ILE A 15 -0.966 -15.612 8.200 1.00 0.00 C ATOM 203 CD1 ILE A 15 -2.826 -17.593 8.907 1.00 0.00 C ATOM 0 H ILE A 15 -4.240 -13.656 8.102 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.091 -15.337 10.224 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.614 -14.544 7.321 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.334 -16.302 8.046 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.143 -16.870 6.893 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.668 -16.076 7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.375 -14.711 8.364 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.797 -16.311 9.019 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.411 -18.499 8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.769 -17.812 8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.979 -17.236 9.926 1.00 0.00 H new ATOM 215 N PRO A 16 -1.166 -14.143 11.070 1.00 0.00 N ATOM 216 CA PRO A 16 -0.088 -13.371 11.730 1.00 0.00 C ATOM 217 C PRO A 16 1.254 -13.548 11.009 1.00 0.00 C ATOM 218 O PRO A 16 2.108 -14.283 11.459 1.00 0.00 O ATOM 219 CB PRO A 16 -0.017 -13.987 13.121 1.00 0.00 C ATOM 220 CG PRO A 16 -0.539 -15.385 12.964 1.00 0.00 C ATOM 221 CD PRO A 16 -1.426 -15.416 11.743 1.00 0.00 C ATOM 0 HA PRO A 16 -0.287 -12.299 11.732 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.006 -13.989 13.498 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.618 -13.421 13.833 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.285 -16.090 12.854 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.099 -15.685 13.850 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.186 -16.262 11.099 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.476 -15.513 12.018 1.00 0.00 H new ATOM 229 N CYS A 17 1.459 -12.874 9.909 1.00 0.00 N ATOM 230 CA CYS A 17 2.765 -13.001 9.192 1.00 0.00 C ATOM 231 C CYS A 17 3.903 -12.488 10.073 1.00 0.00 C ATOM 232 O CYS A 17 5.050 -12.856 9.907 1.00 0.00 O ATOM 233 CB CYS A 17 2.635 -12.127 7.949 1.00 0.00 C ATOM 234 SG CYS A 17 2.851 -13.149 6.471 1.00 0.00 S ATOM 0 H CYS A 17 0.784 -12.244 9.476 1.00 0.00 H new ATOM 0 HA CYS A 17 2.988 -14.038 8.940 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.658 -11.644 7.931 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.382 -11.334 7.969 1.00 0.00 H new ATOM 239 N SER A 18 3.589 -11.641 11.014 1.00 0.00 N ATOM 240 CA SER A 18 4.647 -11.097 11.917 1.00 0.00 C ATOM 241 C SER A 18 5.211 -12.207 12.809 1.00 0.00 C ATOM 242 O SER A 18 6.117 -11.990 13.589 1.00 0.00 O ATOM 243 CB SER A 18 3.941 -10.034 12.760 1.00 0.00 C ATOM 244 OG SER A 18 4.531 -8.767 12.513 1.00 0.00 O ATOM 0 H SER A 18 2.645 -11.301 11.198 1.00 0.00 H new ATOM 0 HA SER A 18 5.489 -10.683 11.362 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.879 -10.007 12.516 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.018 -10.283 13.818 1.00 0.00 H new ATOM 0 HG SER A 18 4.078 -8.085 13.051 1.00 0.00 H new ATOM 250 N LEU A 19 4.686 -13.394 12.696 1.00 0.00 N ATOM 251 CA LEU A 19 5.189 -14.519 13.527 1.00 0.00 C ATOM 252 C LEU A 19 5.393 -15.757 12.650 1.00 0.00 C ATOM 253 O LEU A 19 5.204 -16.876 13.085 1.00 0.00 O ATOM 254 CB LEU A 19 4.090 -14.770 14.561 1.00 0.00 C ATOM 255 CG LEU A 19 4.579 -14.338 15.943 1.00 0.00 C ATOM 256 CD1 LEU A 19 3.700 -13.197 16.462 1.00 0.00 C ATOM 257 CD2 LEU A 19 4.495 -15.523 16.906 1.00 0.00 C ATOM 0 H LEU A 19 3.926 -13.633 12.060 1.00 0.00 H new ATOM 0 HA LEU A 19 6.146 -14.295 13.999 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.191 -14.216 14.293 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.822 -15.826 14.573 1.00 0.00 H new ATOM 0 HG LEU A 19 5.612 -13.998 15.873 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.049 -12.889 17.448 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.758 -12.352 15.776 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.667 -13.537 16.532 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.844 -15.216 17.892 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.462 -15.862 16.976 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.120 -16.336 16.537 1.00 0.00 H new ATOM 269 N MET A 20 5.786 -15.565 11.417 1.00 0.00 N ATOM 270 CA MET A 20 6.008 -16.736 10.516 1.00 0.00 C ATOM 271 C MET A 20 7.204 -16.473 9.603 1.00 0.00 C ATOM 272 O MET A 20 7.375 -15.390 9.081 1.00 0.00 O ATOM 273 CB MET A 20 4.738 -16.904 9.659 1.00 0.00 C ATOM 274 CG MET A 20 3.511 -16.284 10.337 1.00 0.00 C ATOM 275 SD MET A 20 2.919 -17.383 11.645 1.00 0.00 S ATOM 276 CE MET A 20 1.348 -17.831 10.862 1.00 0.00 C ATOM 0 H MET A 20 5.962 -14.653 10.996 1.00 0.00 H new ATOM 0 HA MET A 20 6.209 -17.634 11.100 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.891 -16.437 8.686 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.558 -17.964 9.479 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.767 -15.310 10.755 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.722 -16.118 9.603 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.521 -17.437 11.453 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.309 -17.410 9.858 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.267 -18.916 10.803 1.00 0.00 H new ATOM 286 N LYS A 21 8.027 -17.462 9.399 1.00 0.00 N ATOM 287 CA LYS A 21 9.208 -17.276 8.511 1.00 0.00 C ATOM 288 C LYS A 21 8.862 -17.708 7.084 1.00 0.00 C ATOM 289 O LYS A 21 9.482 -17.277 6.131 1.00 0.00 O ATOM 290 CB LYS A 21 10.300 -18.172 9.099 1.00 0.00 C ATOM 291 CG LYS A 21 9.990 -19.636 8.784 1.00 0.00 C ATOM 292 CD LYS A 21 10.801 -20.540 9.717 1.00 0.00 C ATOM 293 CE LYS A 21 10.112 -21.900 9.832 1.00 0.00 C ATOM 294 NZ LYS A 21 11.004 -22.843 9.099 1.00 0.00 N ATOM 0 H LYS A 21 7.933 -18.391 9.809 1.00 0.00 H new ATOM 0 HA LYS A 21 9.528 -16.235 8.460 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.270 -17.898 8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.361 -18.027 10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.924 -19.829 8.909 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.234 -19.855 7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.813 -20.664 9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.889 -20.080 10.701 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.994 -22.197 10.874 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.115 -21.877 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.599 -23.800 9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.092 -22.539 8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.944 -22.849 9.544 1.00 0.00 H new ATOM 308 N SER A 22 7.878 -18.554 6.924 1.00 0.00 N ATOM 309 CA SER A 22 7.505 -18.999 5.550 1.00 0.00 C ATOM 310 C SER A 22 6.069 -19.529 5.527 1.00 0.00 C ATOM 311 O SER A 22 5.365 -19.488 6.515 1.00 0.00 O ATOM 312 CB SER A 22 8.494 -20.117 5.216 1.00 0.00 C ATOM 313 OG SER A 22 8.504 -20.337 3.813 1.00 0.00 O ATOM 0 H SER A 22 7.321 -18.953 7.679 1.00 0.00 H new ATOM 0 HA SER A 22 7.548 -18.183 4.829 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.493 -19.848 5.560 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.213 -21.033 5.736 1.00 0.00 H new ATOM 0 HG SER A 22 9.139 -21.052 3.599 1.00 0.00 H new ATOM 319 N TYR A 23 5.634 -20.022 4.401 1.00 0.00 N ATOM 320 CA TYR A 23 4.246 -20.563 4.296 1.00 0.00 C ATOM 321 C TYR A 23 4.218 -21.685 3.250 1.00 0.00 C ATOM 322 O TYR A 23 5.023 -21.705 2.340 1.00 0.00 O ATOM 323 CB TYR A 23 3.395 -19.371 3.853 1.00 0.00 C ATOM 324 CG TYR A 23 3.763 -18.988 2.439 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.323 -19.768 1.365 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.548 -17.852 2.204 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.667 -19.413 0.054 1.00 0.00 C ATOM 328 CE2 TYR A 23 4.892 -17.497 0.895 1.00 0.00 C ATOM 329 CZ TYR A 23 4.452 -18.277 -0.180 1.00 0.00 C ATOM 330 OH TYR A 23 4.792 -17.929 -1.472 1.00 0.00 O ATOM 0 H TYR A 23 6.182 -20.075 3.543 1.00 0.00 H new ATOM 0 HA TYR A 23 3.878 -20.988 5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.337 -19.625 3.909 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.555 -18.527 4.523 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.718 -20.644 1.546 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.888 -17.250 3.034 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.327 -20.015 -0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.497 -16.621 0.714 1.00 0.00 H new ATOM 0 HH TYR A 23 4.087 -18.222 -2.086 1.00 0.00 H new ATOM 340 N PHE A 24 3.314 -22.625 3.363 1.00 0.00 N ATOM 341 CA PHE A 24 3.284 -23.728 2.357 1.00 0.00 C ATOM 342 C PHE A 24 1.860 -24.256 2.161 1.00 0.00 C ATOM 343 O PHE A 24 1.041 -24.217 3.057 1.00 0.00 O ATOM 344 CB PHE A 24 4.196 -24.818 2.936 1.00 0.00 C ATOM 345 CG PHE A 24 3.434 -25.663 3.936 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.556 -26.660 3.488 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.603 -25.448 5.309 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.852 -27.440 4.412 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.898 -26.229 6.232 1.00 0.00 C ATOM 350 CZ PHE A 24 2.022 -27.226 5.784 1.00 0.00 C ATOM 0 H PHE A 24 2.606 -22.677 4.096 1.00 0.00 H new ATOM 0 HA PHE A 24 3.619 -23.392 1.376 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.577 -25.448 2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.060 -24.361 3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.423 -26.826 2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.278 -24.679 5.656 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.177 -28.208 4.066 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.030 -26.063 7.291 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.479 -27.829 6.497 1.00 0.00 H new ATOM 360 N GLU A 25 1.570 -24.767 0.996 1.00 0.00 N ATOM 361 CA GLU A 25 0.211 -25.318 0.740 1.00 0.00 C ATOM 362 C GLU A 25 0.202 -26.820 1.031 1.00 0.00 C ATOM 363 O GLU A 25 1.160 -27.518 0.765 1.00 0.00 O ATOM 364 CB GLU A 25 -0.054 -25.051 -0.742 1.00 0.00 C ATOM 365 CG GLU A 25 0.891 -25.904 -1.591 1.00 0.00 C ATOM 366 CD GLU A 25 0.575 -25.688 -3.072 1.00 0.00 C ATOM 367 OE1 GLU A 25 -0.447 -26.183 -3.518 1.00 0.00 O ATOM 368 OE2 GLU A 25 1.361 -25.032 -3.735 1.00 0.00 O ATOM 0 H GLU A 25 2.217 -24.826 0.210 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.552 -24.863 1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.090 -25.286 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.094 -23.994 -0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.927 -25.634 -1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.779 -26.957 -1.333 1.00 0.00 H new ATOM 375 N THR A 26 -0.866 -27.323 1.581 1.00 0.00 N ATOM 376 CA THR A 26 -0.928 -28.779 1.895 1.00 0.00 C ATOM 377 C THR A 26 -1.123 -29.592 0.613 1.00 0.00 C ATOM 378 O THR A 26 -1.046 -29.072 -0.483 1.00 0.00 O ATOM 379 CB THR A 26 -2.138 -28.936 2.817 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.325 -28.664 2.085 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.024 -27.960 3.989 1.00 0.00 C ATOM 0 H THR A 26 -1.700 -26.790 1.827 1.00 0.00 H new ATOM 0 HA THR A 26 -0.010 -29.138 2.361 1.00 0.00 H new ATOM 0 HB THR A 26 -2.171 -29.955 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.597 -29.466 1.592 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.888 -28.075 4.644 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.113 -28.170 4.550 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.989 -26.939 3.610 1.00 0.00 H new ATOM 389 N SER A 27 -1.377 -30.864 0.744 1.00 0.00 N ATOM 390 CA SER A 27 -1.578 -31.714 -0.464 1.00 0.00 C ATOM 391 C SER A 27 -3.066 -31.788 -0.814 1.00 0.00 C ATOM 392 O SER A 27 -3.911 -31.931 0.049 1.00 0.00 O ATOM 393 CB SER A 27 -1.052 -33.093 -0.066 1.00 0.00 C ATOM 394 OG SER A 27 0.281 -32.973 0.406 1.00 0.00 O ATOM 0 H SER A 27 -1.454 -31.353 1.636 1.00 0.00 H new ATOM 0 HA SER A 27 -1.065 -31.318 -1.340 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.686 -33.526 0.708 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.087 -33.768 -0.921 1.00 0.00 H new ATOM 0 HG SER A 27 0.618 -33.857 0.663 1.00 0.00 H new ATOM 400 N SER A 28 -3.396 -31.691 -2.072 1.00 0.00 N ATOM 401 CA SER A 28 -4.831 -31.758 -2.474 1.00 0.00 C ATOM 402 C SER A 28 -5.388 -33.158 -2.217 1.00 0.00 C ATOM 403 O SER A 28 -6.572 -33.401 -2.349 1.00 0.00 O ATOM 404 CB SER A 28 -4.842 -31.438 -3.969 1.00 0.00 C ATOM 405 OG SER A 28 -4.447 -32.587 -4.703 1.00 0.00 O ATOM 0 H SER A 28 -2.735 -31.568 -2.839 1.00 0.00 H new ATOM 0 HA SER A 28 -5.451 -31.063 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.839 -31.122 -4.277 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.166 -30.609 -4.179 1.00 0.00 H new ATOM 0 HG SER A 28 -4.456 -32.382 -5.661 1.00 0.00 H new ATOM 411 N GLU A 29 -4.545 -34.080 -1.850 1.00 0.00 N ATOM 412 CA GLU A 29 -5.024 -35.466 -1.582 1.00 0.00 C ATOM 413 C GLU A 29 -5.787 -35.512 -0.255 1.00 0.00 C ATOM 414 O GLU A 29 -6.589 -36.393 -0.019 1.00 0.00 O ATOM 415 CB GLU A 29 -3.755 -36.317 -1.502 1.00 0.00 C ATOM 416 CG GLU A 29 -4.117 -37.791 -1.696 1.00 0.00 C ATOM 417 CD GLU A 29 -3.613 -38.602 -0.501 1.00 0.00 C ATOM 418 OE1 GLU A 29 -3.991 -38.276 0.613 1.00 0.00 O ATOM 419 OE2 GLU A 29 -2.857 -39.534 -0.719 1.00 0.00 O ATOM 0 H GLU A 29 -3.543 -33.935 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.705 -35.825 -2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.044 -36.002 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.269 -36.175 -0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.197 -37.901 -1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.673 -38.167 -2.618 1.00 0.00 H new ATOM 426 N CYS A 30 -5.541 -34.570 0.614 1.00 0.00 N ATOM 427 CA CYS A 30 -6.252 -34.559 1.924 1.00 0.00 C ATOM 428 C CYS A 30 -7.711 -34.138 1.730 1.00 0.00 C ATOM 429 O CYS A 30 -8.038 -33.393 0.827 1.00 0.00 O ATOM 430 CB CYS A 30 -5.504 -33.531 2.774 1.00 0.00 C ATOM 431 SG CYS A 30 -4.698 -34.371 4.160 1.00 0.00 S ATOM 0 H CYS A 30 -4.878 -33.807 0.474 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.266 -35.542 2.395 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.762 -33.012 2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.197 -32.776 3.145 1.00 0.00 H new ATOM 436 N SER A 31 -8.593 -34.610 2.569 1.00 0.00 N ATOM 437 CA SER A 31 -10.030 -34.237 2.431 1.00 0.00 C ATOM 438 C SER A 31 -10.217 -32.730 2.624 1.00 0.00 C ATOM 439 O SER A 31 -11.276 -32.189 2.378 1.00 0.00 O ATOM 440 CB SER A 31 -10.751 -35.014 3.532 1.00 0.00 C ATOM 441 OG SER A 31 -10.327 -36.369 3.512 1.00 0.00 O ATOM 0 H SER A 31 -8.380 -35.238 3.344 1.00 0.00 H new ATOM 0 HA SER A 31 -10.420 -34.475 1.441 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.538 -34.570 4.504 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.830 -34.957 3.385 1.00 0.00 H new ATOM 0 HG SER A 31 -10.788 -36.867 4.219 1.00 0.00 H new ATOM 447 N LYS A 32 -9.197 -32.051 3.065 1.00 0.00 N ATOM 448 CA LYS A 32 -9.317 -30.578 3.275 1.00 0.00 C ATOM 449 C LYS A 32 -7.958 -29.898 3.079 1.00 0.00 C ATOM 450 O LYS A 32 -7.096 -29.971 3.933 1.00 0.00 O ATOM 451 CB LYS A 32 -9.786 -30.424 4.724 1.00 0.00 C ATOM 452 CG LYS A 32 -11.255 -30.834 4.836 1.00 0.00 C ATOM 453 CD LYS A 32 -11.741 -30.600 6.269 1.00 0.00 C ATOM 454 CE LYS A 32 -12.206 -31.927 6.875 1.00 0.00 C ATOM 455 NZ LYS A 32 -12.637 -31.584 8.259 1.00 0.00 N ATOM 0 H LYS A 32 -8.285 -32.449 3.290 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.006 -30.117 2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.175 -31.042 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.661 -29.391 5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.859 -30.256 4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.372 -31.884 4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.938 -30.175 6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.559 -29.880 6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.026 -32.358 6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.401 -32.662 6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.970 -32.443 8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.834 -31.182 8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.408 -30.887 8.220 1.00 0.00 H new ATOM 469 N PRO A 33 -7.817 -29.249 1.954 1.00 0.00 N ATOM 470 CA PRO A 33 -6.553 -28.540 1.638 1.00 0.00 C ATOM 471 C PRO A 33 -6.447 -27.251 2.459 1.00 0.00 C ATOM 472 O PRO A 33 -7.236 -27.003 3.348 1.00 0.00 O ATOM 473 CB PRO A 33 -6.679 -28.230 0.149 1.00 0.00 C ATOM 474 CG PRO A 33 -8.151 -28.204 -0.121 1.00 0.00 C ATOM 475 CD PRO A 33 -8.809 -29.119 0.881 1.00 0.00 C ATOM 0 HA PRO A 33 -5.662 -29.123 1.871 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.217 -27.274 -0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.181 -28.988 -0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.540 -27.190 -0.029 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.361 -28.535 -1.138 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.744 -28.698 1.251 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.048 -30.087 0.440 1.00 0.00 H new ATOM 483 N GLY A 34 -5.475 -26.429 2.169 1.00 0.00 N ATOM 484 CA GLY A 34 -5.321 -25.161 2.935 1.00 0.00 C ATOM 485 C GLY A 34 -3.867 -24.692 2.862 1.00 0.00 C ATOM 486 O GLY A 34 -3.048 -25.275 2.182 1.00 0.00 O ATOM 0 H GLY A 34 -4.782 -26.581 1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.982 -24.396 2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.613 -25.314 3.974 1.00 0.00 H new ATOM 490 N VAL A 35 -3.542 -23.644 3.565 1.00 0.00 N ATOM 491 CA VAL A 35 -2.143 -23.131 3.556 1.00 0.00 C ATOM 492 C VAL A 35 -1.673 -22.928 4.995 1.00 0.00 C ATOM 493 O VAL A 35 -2.239 -22.147 5.735 1.00 0.00 O ATOM 494 CB VAL A 35 -2.215 -21.792 2.816 1.00 0.00 C ATOM 495 CG1 VAL A 35 -0.979 -20.952 3.147 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.271 -22.044 1.307 1.00 0.00 C ATOM 0 H VAL A 35 -4.190 -23.116 4.150 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.443 -23.815 3.076 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.111 -21.255 3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.034 -20.000 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.940 -20.769 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.082 -21.488 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.322 -21.091 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.377 -22.583 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.154 -22.637 1.070 1.00 0.00 H new ATOM 506 N ILE A 36 -0.651 -23.620 5.407 1.00 0.00 N ATOM 507 CA ILE A 36 -0.173 -23.449 6.804 1.00 0.00 C ATOM 508 C ILE A 36 1.109 -22.616 6.825 1.00 0.00 C ATOM 509 O ILE A 36 2.035 -22.867 6.080 1.00 0.00 O ATOM 510 CB ILE A 36 0.096 -24.865 7.322 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.233 -25.529 7.694 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.998 -24.791 8.560 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.964 -26.846 8.425 1.00 0.00 C ATOM 0 H ILE A 36 -0.130 -24.291 4.843 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.903 -22.928 7.424 1.00 0.00 H new ATOM 0 HB ILE A 36 0.591 -25.451 6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.819 -24.863 8.328 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.822 -25.714 6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.191 -25.798 8.930 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.942 -24.315 8.294 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.503 -24.207 9.336 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.912 -27.316 8.688 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.396 -27.513 7.776 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.392 -26.649 9.332 1.00 0.00 H new ATOM 525 N PHE A 37 1.177 -21.643 7.686 1.00 0.00 N ATOM 526 CA PHE A 37 2.413 -20.817 7.762 1.00 0.00 C ATOM 527 C PHE A 37 3.367 -21.443 8.781 1.00 0.00 C ATOM 528 O PHE A 37 2.960 -21.853 9.851 1.00 0.00 O ATOM 529 CB PHE A 37 1.953 -19.435 8.229 1.00 0.00 C ATOM 530 CG PHE A 37 1.063 -18.805 7.181 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.251 -19.258 7.014 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.545 -17.757 6.383 1.00 0.00 C ATOM 533 CE1 PHE A 37 -1.082 -18.667 6.055 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.715 -17.168 5.421 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.600 -17.623 5.258 1.00 0.00 C ATOM 0 H PHE A 37 0.436 -21.384 8.337 1.00 0.00 H new ATOM 0 HA PHE A 37 2.938 -20.754 6.809 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.413 -19.522 9.172 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.818 -18.798 8.414 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.624 -20.065 7.626 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.558 -17.404 6.511 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.096 -19.017 5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.088 -16.363 4.805 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.241 -17.168 4.518 1.00 0.00 H new ATOM 545 N LEU A 38 4.628 -21.531 8.462 1.00 0.00 N ATOM 546 CA LEU A 38 5.591 -22.141 9.419 1.00 0.00 C ATOM 547 C LEU A 38 6.324 -21.042 10.185 1.00 0.00 C ATOM 548 O LEU A 38 6.978 -20.197 9.606 1.00 0.00 O ATOM 549 CB LEU A 38 6.562 -22.940 8.548 1.00 0.00 C ATOM 550 CG LEU A 38 6.525 -24.412 8.963 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.980 -25.285 7.793 1.00 0.00 C ATOM 552 CD2 LEU A 38 7.461 -24.628 10.154 1.00 0.00 C ATOM 0 H LEU A 38 5.032 -21.208 7.583 1.00 0.00 H new ATOM 0 HA LEU A 38 5.103 -22.774 10.160 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.291 -22.840 7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.573 -22.546 8.655 1.00 0.00 H new ATOM 0 HG LEU A 38 5.508 -24.685 9.244 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.953 -26.334 8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.314 -25.131 6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.997 -25.014 7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.436 -25.676 10.451 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.478 -24.355 9.872 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.137 -24.007 10.989 1.00 0.00 H new ATOM 564 N THR A 39 6.204 -21.040 11.484 1.00 0.00 N ATOM 565 CA THR A 39 6.876 -19.990 12.298 1.00 0.00 C ATOM 566 C THR A 39 8.234 -20.480 12.795 1.00 0.00 C ATOM 567 O THR A 39 8.401 -21.630 13.150 1.00 0.00 O ATOM 568 CB THR A 39 5.936 -19.729 13.483 1.00 0.00 C ATOM 569 OG1 THR A 39 6.156 -20.714 14.484 1.00 0.00 O ATOM 570 CG2 THR A 39 4.477 -19.790 13.018 1.00 0.00 C ATOM 0 H THR A 39 5.667 -21.723 12.018 1.00 0.00 H new ATOM 0 HA THR A 39 7.060 -19.086 11.717 1.00 0.00 H new ATOM 0 HB THR A 39 6.139 -18.739 13.890 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.438 -20.278 15.315 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.817 -19.604 13.865 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.307 -19.033 12.252 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.268 -20.777 12.605 1.00 0.00 H new ATOM 578 N LYS A 40 9.203 -19.612 12.825 1.00 0.00 N ATOM 579 CA LYS A 40 10.554 -20.021 13.306 1.00 0.00 C ATOM 580 C LYS A 40 10.491 -20.375 14.795 1.00 0.00 C ATOM 581 O LYS A 40 11.299 -21.129 15.299 1.00 0.00 O ATOM 582 CB LYS A 40 11.441 -18.797 13.082 1.00 0.00 C ATOM 583 CG LYS A 40 12.870 -19.116 13.526 1.00 0.00 C ATOM 584 CD LYS A 40 13.203 -18.312 14.784 1.00 0.00 C ATOM 585 CE LYS A 40 14.717 -18.121 14.881 1.00 0.00 C ATOM 586 NZ LYS A 40 15.015 -16.978 13.973 1.00 0.00 N ATOM 0 H LYS A 40 9.121 -18.637 12.538 1.00 0.00 H new ATOM 0 HA LYS A 40 10.935 -20.898 12.783 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.430 -18.514 12.029 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.055 -17.947 13.644 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.971 -20.183 13.726 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.573 -18.873 12.729 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.705 -17.343 14.752 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.834 -18.831 15.669 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.024 -17.904 15.904 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.250 -19.021 14.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.857 -17.197 13.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.204 -16.815 13.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.192 -16.123 14.538 1.00 0.00 H new ATOM 600 N LYS A 41 9.533 -19.834 15.499 1.00 0.00 N ATOM 601 CA LYS A 41 9.411 -20.133 16.955 1.00 0.00 C ATOM 602 C LYS A 41 8.959 -21.581 17.163 1.00 0.00 C ATOM 603 O LYS A 41 8.939 -22.084 18.269 1.00 0.00 O ATOM 604 CB LYS A 41 8.354 -19.157 17.472 1.00 0.00 C ATOM 605 CG LYS A 41 8.997 -18.176 18.454 1.00 0.00 C ATOM 606 CD LYS A 41 7.918 -17.263 19.041 1.00 0.00 C ATOM 607 CE LYS A 41 8.423 -16.649 20.348 1.00 0.00 C ATOM 608 NZ LYS A 41 9.502 -15.709 19.934 1.00 0.00 N ATOM 0 H LYS A 41 8.828 -19.197 15.128 1.00 0.00 H new ATOM 0 HA LYS A 41 10.359 -20.021 17.481 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.908 -18.613 16.639 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.549 -19.704 17.963 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.501 -18.721 19.252 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.756 -17.581 17.946 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.667 -16.476 18.330 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.006 -17.831 19.223 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.624 -16.127 20.875 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.803 -17.415 21.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.713 -15.057 20.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.358 -16.248 19.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.189 -15.165 19.105 1.00 0.00 H new ATOM 622 N GLY A 42 8.601 -22.252 16.106 1.00 0.00 N ATOM 623 CA GLY A 42 8.155 -23.670 16.237 1.00 0.00 C ATOM 624 C GLY A 42 6.626 -23.725 16.331 1.00 0.00 C ATOM 625 O GLY A 42 6.073 -24.234 17.286 1.00 0.00 O ATOM 0 H GLY A 42 8.597 -21.882 15.156 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.497 -24.249 15.380 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.600 -24.121 17.124 1.00 0.00 H new ATOM 629 N ARG A 43 5.939 -23.205 15.350 1.00 0.00 N ATOM 630 CA ARG A 43 4.447 -23.229 15.386 1.00 0.00 C ATOM 631 C ARG A 43 3.884 -23.288 13.963 1.00 0.00 C ATOM 632 O ARG A 43 4.607 -23.167 12.996 1.00 0.00 O ATOM 633 CB ARG A 43 4.049 -21.918 16.064 1.00 0.00 C ATOM 634 CG ARG A 43 2.987 -22.191 17.130 1.00 0.00 C ATOM 635 CD ARG A 43 3.459 -21.631 18.473 1.00 0.00 C ATOM 636 NE ARG A 43 2.208 -21.339 19.227 1.00 0.00 N ATOM 637 CZ ARG A 43 1.871 -22.084 20.244 1.00 0.00 C ATOM 638 NH1 ARG A 43 2.791 -22.548 21.044 1.00 0.00 N ATOM 639 NH2 ARG A 43 0.615 -22.364 20.461 1.00 0.00 N ATOM 0 H ARG A 43 6.346 -22.764 14.525 1.00 0.00 H new ATOM 0 HA ARG A 43 4.060 -24.099 15.917 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.923 -21.452 16.519 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.663 -21.217 15.324 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.042 -21.730 16.844 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.807 -23.263 17.214 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.082 -22.351 19.004 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.058 -20.730 18.337 1.00 0.00 H new ATOM 0 HE ARG A 43 1.615 -20.557 18.949 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.773 -22.328 20.874 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.529 -23.130 21.839 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.104 -22.000 19.835 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.352 -22.946 21.256 1.00 0.00 H new ATOM 653 N GLN A 44 2.599 -23.464 13.828 1.00 0.00 N ATOM 654 CA GLN A 44 1.997 -23.518 12.465 1.00 0.00 C ATOM 655 C GLN A 44 0.568 -22.971 12.496 1.00 0.00 C ATOM 656 O GLN A 44 -0.224 -23.318 13.350 1.00 0.00 O ATOM 657 CB GLN A 44 1.996 -24.996 12.080 1.00 0.00 C ATOM 658 CG GLN A 44 3.432 -25.529 12.096 1.00 0.00 C ATOM 659 CD GLN A 44 3.457 -26.948 11.522 1.00 0.00 C ATOM 660 OE1 GLN A 44 2.536 -27.359 10.846 1.00 0.00 O ATOM 661 NE2 GLN A 44 4.481 -27.722 11.767 1.00 0.00 N ATOM 0 H GLN A 44 1.941 -23.573 14.600 1.00 0.00 H new ATOM 0 HA GLN A 44 2.554 -22.915 11.748 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.378 -25.564 12.776 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.560 -25.124 11.089 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.080 -24.877 11.510 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.819 -25.531 13.115 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.256 -27.378 12.335 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.506 -28.670 11.391 1.00 0.00 H new ATOM 670 N VAL A 45 0.232 -22.121 11.566 1.00 0.00 N ATOM 671 CA VAL A 45 -1.148 -21.552 11.535 1.00 0.00 C ATOM 672 C VAL A 45 -1.922 -22.143 10.355 1.00 0.00 C ATOM 673 O VAL A 45 -1.342 -22.557 9.372 1.00 0.00 O ATOM 674 CB VAL A 45 -0.950 -20.048 11.353 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.307 -19.375 11.145 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.280 -19.469 12.600 1.00 0.00 C ATOM 0 H VAL A 45 0.852 -21.795 10.825 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.717 -21.777 12.437 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.319 -19.867 10.483 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.165 -18.302 11.015 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.785 -19.788 10.257 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.939 -19.555 12.014 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.138 -18.396 12.472 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.912 -19.650 13.470 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.688 -19.948 12.749 1.00 0.00 H new ATOM 686 N CYS A 46 -3.225 -22.190 10.440 1.00 0.00 N ATOM 687 CA CYS A 46 -4.022 -22.762 9.314 1.00 0.00 C ATOM 688 C CYS A 46 -4.800 -21.658 8.598 1.00 0.00 C ATOM 689 O CYS A 46 -5.503 -20.889 9.215 1.00 0.00 O ATOM 690 CB CYS A 46 -4.985 -23.751 9.975 1.00 0.00 C ATOM 691 SG CYS A 46 -4.381 -25.440 9.735 1.00 0.00 S ATOM 0 H CYS A 46 -3.770 -21.859 11.236 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.391 -23.241 8.565 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.072 -23.533 11.039 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.981 -23.646 9.546 1.00 0.00 H new ATOM 696 N ALA A 47 -4.686 -21.572 7.302 1.00 0.00 N ATOM 697 CA ALA A 47 -5.433 -20.511 6.563 1.00 0.00 C ATOM 698 C ALA A 47 -6.177 -21.118 5.371 1.00 0.00 C ATOM 699 O ALA A 47 -5.843 -22.183 4.895 1.00 0.00 O ATOM 700 CB ALA A 47 -4.362 -19.533 6.082 1.00 0.00 C ATOM 0 H ALA A 47 -4.112 -22.186 6.724 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.180 -20.023 7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.833 -18.721 5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.830 -19.125 6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.658 -20.054 5.433 1.00 0.00 H new ATOM 706 N LYS A 48 -7.185 -20.449 4.885 1.00 0.00 N ATOM 707 CA LYS A 48 -7.943 -20.993 3.723 1.00 0.00 C ATOM 708 C LYS A 48 -7.124 -20.823 2.440 1.00 0.00 C ATOM 709 O LYS A 48 -6.015 -20.328 2.475 1.00 0.00 O ATOM 710 CB LYS A 48 -9.227 -20.164 3.659 1.00 0.00 C ATOM 711 CG LYS A 48 -10.431 -21.075 3.911 1.00 0.00 C ATOM 712 CD LYS A 48 -11.690 -20.429 3.331 1.00 0.00 C ATOM 713 CE LYS A 48 -12.190 -19.339 4.282 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.306 -18.675 3.551 1.00 0.00 N ATOM 0 H LYS A 48 -7.516 -19.552 5.240 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.156 -22.057 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.197 -19.368 4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.316 -19.686 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.265 -22.050 3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.556 -21.243 4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.474 -20.001 2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.464 -21.183 3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.533 -19.764 5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.398 -18.630 4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.702 -17.914 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.948 -18.274 2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.048 -19.373 3.342 1.00 0.00 H new ATOM 728 N PRO A 49 -7.698 -21.245 1.346 1.00 0.00 N ATOM 729 CA PRO A 49 -7.006 -21.142 0.036 1.00 0.00 C ATOM 730 C PRO A 49 -6.965 -19.686 -0.437 1.00 0.00 C ATOM 731 O PRO A 49 -6.024 -19.258 -1.075 1.00 0.00 O ATOM 732 CB PRO A 49 -7.872 -21.985 -0.893 1.00 0.00 C ATOM 733 CG PRO A 49 -9.230 -21.977 -0.265 1.00 0.00 C ATOM 734 CD PRO A 49 -9.027 -21.853 1.223 1.00 0.00 C ATOM 0 HA PRO A 49 -5.970 -21.480 0.073 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.899 -21.564 -1.898 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.484 -23.000 -0.982 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.825 -21.146 -0.644 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.771 -22.892 -0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.796 -21.230 1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.069 -22.825 1.715 1.00 0.00 H new ATOM 742 N SER A 50 -7.979 -18.923 -0.133 1.00 0.00 N ATOM 743 CA SER A 50 -7.994 -17.499 -0.573 1.00 0.00 C ATOM 744 C SER A 50 -8.441 -16.591 0.575 1.00 0.00 C ATOM 745 O SER A 50 -9.057 -15.564 0.362 1.00 0.00 O ATOM 746 CB SER A 50 -9.006 -17.450 -1.718 1.00 0.00 C ATOM 747 OG SER A 50 -8.415 -17.984 -2.895 1.00 0.00 O ATOM 0 H SER A 50 -8.796 -19.223 0.400 1.00 0.00 H new ATOM 0 HA SER A 50 -7.008 -17.154 -0.883 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.897 -18.020 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.325 -16.422 -1.892 1.00 0.00 H new ATOM 0 HG SER A 50 -9.064 -17.955 -3.629 1.00 0.00 H new ATOM 753 N GLY A 51 -8.138 -16.958 1.789 1.00 0.00 N ATOM 754 CA GLY A 51 -8.549 -16.112 2.945 1.00 0.00 C ATOM 755 C GLY A 51 -8.102 -14.669 2.703 1.00 0.00 C ATOM 756 O GLY A 51 -7.052 -14.430 2.139 1.00 0.00 O ATOM 0 H GLY A 51 -7.625 -17.805 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.631 -16.153 3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.105 -16.493 3.865 1.00 0.00 H new ATOM 760 N PRO A 52 -8.919 -13.752 3.142 1.00 0.00 N ATOM 761 CA PRO A 52 -8.610 -12.311 2.974 1.00 0.00 C ATOM 762 C PRO A 52 -7.423 -11.918 3.858 1.00 0.00 C ATOM 763 O PRO A 52 -7.574 -11.637 5.030 1.00 0.00 O ATOM 764 CB PRO A 52 -9.891 -11.614 3.427 1.00 0.00 C ATOM 765 CG PRO A 52 -10.551 -12.592 4.345 1.00 0.00 C ATOM 766 CD PRO A 52 -10.195 -13.965 3.836 1.00 0.00 C ATOM 0 HA PRO A 52 -8.329 -12.044 1.955 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.672 -10.677 3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.532 -11.373 2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.205 -12.456 5.370 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.632 -12.449 4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.094 -14.682 4.651 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.958 -14.354 3.162 1.00 0.00 H new ATOM 774 N GLY A 53 -6.241 -11.903 3.303 1.00 0.00 N ATOM 775 CA GLY A 53 -5.043 -11.536 4.107 1.00 0.00 C ATOM 776 C GLY A 53 -4.050 -12.700 4.098 1.00 0.00 C ATOM 777 O GLY A 53 -2.859 -12.510 4.233 1.00 0.00 O ATOM 0 H GLY A 53 -6.055 -12.130 2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.575 -10.641 3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.336 -11.301 5.130 1.00 0.00 H new ATOM 781 N VAL A 54 -4.530 -13.903 3.936 1.00 0.00 N ATOM 782 CA VAL A 54 -3.614 -15.080 3.912 1.00 0.00 C ATOM 783 C VAL A 54 -2.667 -14.986 2.717 1.00 0.00 C ATOM 784 O VAL A 54 -1.482 -15.227 2.833 1.00 0.00 O ATOM 785 CB VAL A 54 -4.536 -16.293 3.779 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.701 -17.549 3.515 1.00 0.00 C ATOM 787 CG2 VAL A 54 -5.333 -16.472 5.073 1.00 0.00 C ATOM 0 H VAL A 54 -5.519 -14.122 3.819 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.990 -15.140 4.804 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.223 -16.135 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.361 -18.411 3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.135 -17.422 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.012 -17.709 4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.990 -17.336 4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.646 -16.627 5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.931 -15.580 5.258 1.00 0.00 H new ATOM 797 N GLN A 55 -3.174 -14.630 1.571 1.00 0.00 N ATOM 798 CA GLN A 55 -2.288 -14.514 0.380 1.00 0.00 C ATOM 799 C GLN A 55 -1.343 -13.334 0.576 1.00 0.00 C ATOM 800 O GLN A 55 -0.197 -13.367 0.177 1.00 0.00 O ATOM 801 CB GLN A 55 -3.227 -14.273 -0.804 1.00 0.00 C ATOM 802 CG GLN A 55 -2.653 -14.940 -2.056 1.00 0.00 C ATOM 803 CD GLN A 55 -1.704 -13.968 -2.762 1.00 0.00 C ATOM 804 OE1 GLN A 55 -1.898 -12.770 -2.712 1.00 0.00 O ATOM 805 NE2 GLN A 55 -0.682 -14.438 -3.423 1.00 0.00 N ATOM 0 H GLN A 55 -4.158 -14.415 1.407 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.676 -15.401 0.219 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.216 -14.676 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.349 -13.203 -0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.121 -15.852 -1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.460 -15.231 -2.729 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.520 -15.444 -3.464 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.045 -13.799 -3.899 1.00 0.00 H new ATOM 814 N ASP A 56 -1.811 -12.298 1.213 1.00 0.00 N ATOM 815 CA ASP A 56 -0.931 -11.132 1.461 1.00 0.00 C ATOM 816 C ASP A 56 0.173 -11.553 2.427 1.00 0.00 C ATOM 817 O ASP A 56 1.286 -11.069 2.368 1.00 0.00 O ATOM 818 CB ASP A 56 -1.838 -10.081 2.095 1.00 0.00 C ATOM 819 CG ASP A 56 -2.249 -9.055 1.037 1.00 0.00 C ATOM 820 OD1 ASP A 56 -1.367 -8.417 0.484 1.00 0.00 O ATOM 821 OD2 ASP A 56 -3.439 -8.924 0.799 1.00 0.00 O ATOM 0 H ASP A 56 -2.762 -12.212 1.570 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.455 -10.749 0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.723 -10.557 2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.319 -9.585 2.915 1.00 0.00 H new ATOM 826 N CYS A 57 -0.126 -12.471 3.310 1.00 0.00 N ATOM 827 CA CYS A 57 0.910 -12.939 4.267 1.00 0.00 C ATOM 828 C CYS A 57 2.016 -13.666 3.499 1.00 0.00 C ATOM 829 O CYS A 57 3.190 -13.405 3.682 1.00 0.00 O ATOM 830 CB CYS A 57 0.182 -13.897 5.214 1.00 0.00 C ATOM 831 SG CYS A 57 1.307 -14.452 6.523 1.00 0.00 S ATOM 0 H CYS A 57 -1.040 -12.913 3.406 1.00 0.00 H new ATOM 0 HA CYS A 57 1.378 -12.122 4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.683 -13.400 5.653 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.193 -14.756 4.658 1.00 0.00 H new ATOM 836 N MET A 58 1.648 -14.569 2.628 1.00 0.00 N ATOM 837 CA MET A 58 2.681 -15.298 1.843 1.00 0.00 C ATOM 838 C MET A 58 3.394 -14.330 0.901 1.00 0.00 C ATOM 839 O MET A 58 4.532 -14.536 0.529 1.00 0.00 O ATOM 840 CB MET A 58 1.914 -16.345 1.041 1.00 0.00 C ATOM 841 CG MET A 58 0.889 -17.034 1.943 1.00 0.00 C ATOM 842 SD MET A 58 0.543 -18.694 1.307 1.00 0.00 S ATOM 843 CE MET A 58 0.510 -18.268 -0.451 1.00 0.00 C ATOM 0 H MET A 58 0.682 -14.830 2.429 1.00 0.00 H new ATOM 0 HA MET A 58 3.439 -15.752 2.481 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.411 -15.874 0.196 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.605 -17.081 0.631 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.269 -17.096 2.963 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.030 -16.449 1.981 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.086 -19.097 -1.018 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.101 -17.377 -0.598 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.525 -18.073 -0.797 1.00 0.00 H new ATOM 853 N LYS A 59 2.738 -13.268 0.519 1.00 0.00 N ATOM 854 CA LYS A 59 3.390 -12.286 -0.387 1.00 0.00 C ATOM 855 C LYS A 59 4.570 -11.645 0.340 1.00 0.00 C ATOM 856 O LYS A 59 5.629 -11.447 -0.219 1.00 0.00 O ATOM 857 CB LYS A 59 2.312 -11.247 -0.693 1.00 0.00 C ATOM 858 CG LYS A 59 2.750 -10.394 -1.883 1.00 0.00 C ATOM 859 CD LYS A 59 1.668 -10.433 -2.964 1.00 0.00 C ATOM 860 CE LYS A 59 1.947 -9.347 -4.004 1.00 0.00 C ATOM 861 NZ LYS A 59 2.965 -9.943 -4.913 1.00 0.00 N ATOM 0 H LYS A 59 1.783 -13.040 0.795 1.00 0.00 H new ATOM 0 HA LYS A 59 3.773 -12.739 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.367 -11.742 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.143 -10.615 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.923 -9.366 -1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.693 -10.766 -2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.651 -11.413 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.686 -10.279 -2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.041 -9.077 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.320 -8.437 -3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.210 -9.258 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.818 -10.183 -4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.579 -10.804 -5.350 1.00 0.00 H new ATOM 875 N LYS A 60 4.395 -11.336 1.594 1.00 0.00 N ATOM 876 CA LYS A 60 5.507 -10.725 2.372 1.00 0.00 C ATOM 877 C LYS A 60 6.611 -11.760 2.608 1.00 0.00 C ATOM 878 O LYS A 60 7.777 -11.429 2.689 1.00 0.00 O ATOM 879 CB LYS A 60 4.877 -10.304 3.698 1.00 0.00 C ATOM 880 CG LYS A 60 5.777 -9.275 4.386 1.00 0.00 C ATOM 881 CD LYS A 60 5.863 -8.016 3.521 1.00 0.00 C ATOM 882 CE LYS A 60 6.022 -6.790 4.423 1.00 0.00 C ATOM 883 NZ LYS A 60 5.445 -5.663 3.638 1.00 0.00 N ATOM 0 H LYS A 60 3.529 -11.480 2.114 1.00 0.00 H new ATOM 0 HA LYS A 60 5.963 -9.882 1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.888 -9.880 3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.743 -11.174 4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.379 -9.027 5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.772 -9.692 4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.708 -8.089 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.965 -7.918 2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.496 -6.924 5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.070 -6.609 4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.516 -4.784 4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.970 -5.556 2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.446 -5.861 3.430 1.00 0.00 H new ATOM 897 N LEU A 61 6.253 -13.013 2.731 1.00 0.00 N ATOM 898 CA LEU A 61 7.287 -14.061 2.976 1.00 0.00 C ATOM 899 C LEU A 61 8.068 -14.376 1.695 1.00 0.00 C ATOM 900 O LEU A 61 8.913 -15.250 1.677 1.00 0.00 O ATOM 901 CB LEU A 61 6.502 -15.288 3.443 1.00 0.00 C ATOM 902 CG LEU A 61 5.811 -14.978 4.776 1.00 0.00 C ATOM 903 CD1 LEU A 61 5.337 -16.283 5.419 1.00 0.00 C ATOM 904 CD2 LEU A 61 6.793 -14.275 5.717 1.00 0.00 C ATOM 0 H LEU A 61 5.293 -13.354 2.673 1.00 0.00 H new ATOM 0 HA LEU A 61 8.024 -13.738 3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.761 -15.565 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.173 -16.139 3.559 1.00 0.00 H new ATOM 0 HG LEU A 61 4.956 -14.327 4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.846 -16.064 6.367 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.634 -16.783 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.194 -16.933 5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.297 -14.057 6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.651 -14.923 5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.131 -13.344 5.261 1.00 0.00 H new ATOM 916 N LYS A 62 7.801 -13.678 0.626 1.00 0.00 N ATOM 917 CA LYS A 62 8.542 -13.953 -0.640 1.00 0.00 C ATOM 918 C LYS A 62 9.985 -13.448 -0.526 1.00 0.00 C ATOM 919 O LYS A 62 10.214 -12.285 -0.260 1.00 0.00 O ATOM 920 CB LYS A 62 7.788 -13.180 -1.722 1.00 0.00 C ATOM 921 CG LYS A 62 7.274 -14.154 -2.785 1.00 0.00 C ATOM 922 CD LYS A 62 5.807 -13.841 -3.093 1.00 0.00 C ATOM 923 CE LYS A 62 5.360 -14.633 -4.325 1.00 0.00 C ATOM 924 NZ LYS A 62 4.689 -15.846 -3.778 1.00 0.00 N ATOM 0 H LYS A 62 7.106 -12.933 0.573 1.00 0.00 H new ATOM 0 HA LYS A 62 8.593 -15.018 -0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.954 -12.635 -1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.445 -12.440 -2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.873 -14.070 -3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.372 -15.180 -2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.183 -14.097 -2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.682 -12.773 -3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.678 -14.050 -4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.210 -14.901 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.673 -16.591 -4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.211 -16.185 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.714 -15.609 -3.503 1.00 0.00 H new ATOM 938 N PRO A 63 10.913 -14.345 -0.730 1.00 0.00 N ATOM 939 CA PRO A 63 12.352 -13.985 -0.646 1.00 0.00 C ATOM 940 C PRO A 63 12.766 -13.129 -1.847 1.00 0.00 C ATOM 941 O PRO A 63 11.942 -12.701 -2.632 1.00 0.00 O ATOM 942 CB PRO A 63 13.061 -15.337 -0.673 1.00 0.00 C ATOM 943 CG PRO A 63 12.106 -16.259 -1.362 1.00 0.00 C ATOM 944 CD PRO A 63 10.717 -15.764 -1.051 1.00 0.00 C ATOM 0 HA PRO A 63 12.593 -13.398 0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.008 -15.276 -1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.288 -15.684 0.335 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.282 -16.264 -2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.238 -17.283 -1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.047 -15.893 -1.901 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.277 -16.306 -0.214 1.00 0.00 H new ATOM 952 N TYR A 64 14.038 -12.876 -1.993 1.00 0.00 N ATOM 953 CA TYR A 64 14.510 -12.046 -3.140 1.00 0.00 C ATOM 954 C TYR A 64 13.649 -10.788 -3.272 1.00 0.00 C ATOM 955 O TYR A 64 13.281 -10.384 -4.357 1.00 0.00 O ATOM 956 CB TYR A 64 14.351 -12.942 -4.368 1.00 0.00 C ATOM 957 CG TYR A 64 15.367 -14.057 -4.311 1.00 0.00 C ATOM 958 CD1 TYR A 64 16.648 -13.866 -4.842 1.00 0.00 C ATOM 959 CD2 TYR A 64 15.029 -15.283 -3.725 1.00 0.00 C ATOM 960 CE1 TYR A 64 17.591 -14.900 -4.788 1.00 0.00 C ATOM 961 CE2 TYR A 64 15.970 -16.317 -3.671 1.00 0.00 C ATOM 962 CZ TYR A 64 17.251 -16.126 -4.202 1.00 0.00 C ATOM 963 OH TYR A 64 18.180 -17.146 -4.149 1.00 0.00 O ATOM 0 H TYR A 64 14.772 -13.208 -1.368 1.00 0.00 H new ATOM 0 HA TYR A 64 15.539 -11.711 -3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 64 13.343 -13.355 -4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 64 14.487 -12.358 -5.278 1.00 0.00 H new ATOM 0 HD1 TYR A 64 16.909 -12.920 -5.294 1.00 0.00 H new ATOM 0 HD2 TYR A 64 14.041 -15.431 -3.314 1.00 0.00 H new ATOM 0 HE1 TYR A 64 18.579 -14.752 -5.198 1.00 0.00 H new ATOM 0 HE2 TYR A 64 15.708 -17.263 -3.220 1.00 0.00 H new ATOM 0 HH TYR A 64 17.783 -17.927 -3.710 1.00 0.00 H new ATOM 973 N SER A 65 13.325 -10.164 -2.172 1.00 0.00 N ATOM 974 CA SER A 65 12.488 -8.932 -2.231 1.00 0.00 C ATOM 975 C SER A 65 13.374 -7.697 -2.421 1.00 0.00 C ATOM 976 O SER A 65 13.792 -7.070 -1.468 1.00 0.00 O ATOM 977 CB SER A 65 11.776 -8.874 -0.879 1.00 0.00 C ATOM 978 OG SER A 65 10.440 -8.431 -1.066 1.00 0.00 O ATOM 0 H SER A 65 13.604 -10.454 -1.235 1.00 0.00 H new ATOM 0 HA SER A 65 11.785 -8.950 -3.064 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.782 -9.858 -0.410 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.304 -8.198 -0.207 1.00 0.00 H new ATOM 0 HG SER A 65 9.983 -8.395 -0.200 1.00 0.00 H new ATOM 984 N ILE A 66 13.665 -7.344 -3.643 1.00 0.00 N ATOM 985 CA ILE A 66 14.523 -6.148 -3.885 1.00 0.00 C ATOM 986 C ILE A 66 13.715 -5.050 -4.582 1.00 0.00 C ATOM 987 O ILE A 66 12.591 -4.817 -4.171 1.00 0.00 O ATOM 988 CB ILE A 66 15.649 -6.641 -4.795 1.00 0.00 C ATOM 989 CG1 ILE A 66 15.050 -7.264 -6.057 1.00 0.00 C ATOM 990 CG2 ILE A 66 16.483 -7.688 -4.054 1.00 0.00 C ATOM 991 CD1 ILE A 66 16.151 -7.451 -7.104 1.00 0.00 C ATOM 992 OXT ILE A 66 14.236 -4.462 -5.516 1.00 0.00 O ATOM 0 H ILE A 66 13.347 -7.829 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 66 14.906 -5.723 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 66 16.285 -5.801 -5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.592 -8.224 -5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.262 -6.624 -6.453 1.00 0.00 H new ATOM 0 HG21 ILE A 66 17.286 -8.039 -4.703 1.00 0.00 H new ATOM 0 HG22 ILE A 66 16.911 -7.243 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 66 15.848 -8.529 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 66 15.726 -7.895 -8.004 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.589 -6.483 -7.349 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.924 -8.108 -6.706 1.00 0.00 H new TER 1004 ILE A 66