USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=20 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 165:sc= 0 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 55 GLN : amide:sc= -1.77 K(o=-5.1,f=-6.8) USER MOD Set 2.2: A 58 MET CE :methyl -176:sc= -3.36! (180deg=-2.54!) USER MOD Single : A 1 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.59) USER MOD Single : A 1 HIS N :NH3+ -111:sc= 0.0319 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0165 USER MOD Single : A 10 TYR OH : rot 11:sc= 0.512 USER MOD Single : A 12 SER OG : rot 180:sc= 0.124 USER MOD Single : A 13 GLN : amide:sc= 0.195 X(o=0.2,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 27:sc= -0.91! USER MOD Single : A 20 MET CE :methyl 174:sc= -10.2! (180deg=-10.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 86:sc= -0.911 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 150:sc= -0.447 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.0341) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0228 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 34:sc= 0.0468 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -2.969 -36.472 12.090 1.00 0.00 N ATOM 2 CA HIS A 1 -2.707 -37.073 10.750 1.00 0.00 C ATOM 3 C HIS A 1 -1.202 -37.265 10.542 1.00 0.00 C ATOM 4 O HIS A 1 -0.390 -36.623 11.179 1.00 0.00 O ATOM 5 CB HIS A 1 -3.263 -36.061 9.748 1.00 0.00 C ATOM 6 CG HIS A 1 -3.511 -36.744 8.431 1.00 0.00 C ATOM 7 ND1 HIS A 1 -3.934 -38.061 8.349 1.00 0.00 N ATOM 8 CD2 HIS A 1 -3.402 -36.305 7.135 1.00 0.00 C ATOM 9 CE1 HIS A 1 -4.062 -38.366 7.044 1.00 0.00 C ATOM 10 NE2 HIS A 1 -3.749 -37.331 6.262 1.00 0.00 N ATOM 0 H1 HIS A 1 -3.432 -37.175 12.701 1.00 0.00 H new ATOM 0 H2 HIS A 1 -2.069 -36.178 12.520 1.00 0.00 H new ATOM 0 H3 HIS A 1 -3.589 -35.644 11.984 1.00 0.00 H new ATOM 0 HA HIS A 1 -3.170 -38.054 10.638 1.00 0.00 H new ATOM 0 HB2 HIS A 1 -4.190 -35.630 10.127 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -2.559 -35.239 9.617 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -3.094 -35.313 6.838 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -4.379 -39.330 6.675 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -3.762 -37.299 5.243 1.00 0.00 H new ATOM 20 N PHE A 2 -0.824 -38.145 9.656 1.00 0.00 N ATOM 21 CA PHE A 2 0.628 -38.379 9.410 1.00 0.00 C ATOM 22 C PHE A 2 0.967 -38.104 7.942 1.00 0.00 C ATOM 23 O PHE A 2 0.116 -38.163 7.076 1.00 0.00 O ATOM 24 CB PHE A 2 0.853 -39.854 9.743 1.00 0.00 C ATOM 25 CG PHE A 2 1.572 -39.971 11.065 1.00 0.00 C ATOM 26 CD1 PHE A 2 2.909 -39.572 11.173 1.00 0.00 C ATOM 27 CD2 PHE A 2 0.901 -40.482 12.184 1.00 0.00 C ATOM 28 CE1 PHE A 2 3.576 -39.682 12.400 1.00 0.00 C ATOM 29 CE2 PHE A 2 1.568 -40.593 13.410 1.00 0.00 C ATOM 30 CZ PHE A 2 2.905 -40.193 13.518 1.00 0.00 C ATOM 0 H PHE A 2 -1.457 -38.712 9.092 1.00 0.00 H new ATOM 0 HA PHE A 2 1.259 -37.724 10.010 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -0.102 -40.376 9.790 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.438 -40.330 8.956 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.427 -39.179 10.310 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -0.131 -40.790 12.101 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.607 -39.373 12.484 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.051 -40.987 14.272 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.419 -40.278 14.464 1.00 0.00 H new ATOM 40 N ALA A 3 2.204 -37.804 7.656 1.00 0.00 N ATOM 41 CA ALA A 3 2.598 -37.528 6.245 1.00 0.00 C ATOM 42 C ALA A 3 1.874 -36.284 5.722 1.00 0.00 C ATOM 43 O ALA A 3 0.667 -36.172 5.814 1.00 0.00 O ATOM 44 CB ALA A 3 2.166 -38.767 5.462 1.00 0.00 C ATOM 0 H ALA A 3 2.959 -37.738 8.338 1.00 0.00 H new ATOM 0 HA ALA A 3 3.666 -37.336 6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.423 -38.641 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.678 -39.644 5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.089 -38.901 5.559 1.00 0.00 H new ATOM 50 N ALA A 4 2.601 -35.351 5.172 1.00 0.00 N ATOM 51 CA ALA A 4 1.957 -34.117 4.639 1.00 0.00 C ATOM 52 C ALA A 4 1.174 -33.402 5.745 1.00 0.00 C ATOM 53 O ALA A 4 0.980 -33.929 6.822 1.00 0.00 O ATOM 54 CB ALA A 4 1.008 -34.608 3.544 1.00 0.00 C ATOM 0 H ALA A 4 3.615 -35.390 5.068 1.00 0.00 H new ATOM 0 HA ALA A 4 2.688 -33.404 4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.493 -33.756 3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.578 -35.129 2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.275 -35.290 3.976 1.00 0.00 H new ATOM 60 N ASP A 5 0.723 -32.205 5.484 1.00 0.00 N ATOM 61 CA ASP A 5 -0.048 -31.454 6.518 1.00 0.00 C ATOM 62 C ASP A 5 -1.416 -31.048 5.961 1.00 0.00 C ATOM 63 O ASP A 5 -1.543 -30.683 4.810 1.00 0.00 O ATOM 64 CB ASP A 5 0.798 -30.216 6.821 1.00 0.00 C ATOM 65 CG ASP A 5 1.816 -30.550 7.913 1.00 0.00 C ATOM 66 OD1 ASP A 5 1.415 -30.649 9.061 1.00 0.00 O ATOM 67 OD2 ASP A 5 2.982 -30.701 7.583 1.00 0.00 O ATOM 0 H ASP A 5 0.855 -31.714 4.600 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.232 -32.049 7.412 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.312 -29.884 5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.158 -29.395 7.144 1.00 0.00 H new ATOM 72 N CYS A 6 -2.440 -31.109 6.770 1.00 0.00 N ATOM 73 CA CYS A 6 -3.802 -30.727 6.284 1.00 0.00 C ATOM 74 C CYS A 6 -4.585 -30.056 7.416 1.00 0.00 C ATOM 75 O CYS A 6 -4.234 -30.170 8.574 1.00 0.00 O ATOM 76 CB CYS A 6 -4.488 -32.042 5.882 1.00 0.00 C ATOM 77 SG CYS A 6 -3.306 -33.168 5.089 1.00 0.00 S ATOM 0 H CYS A 6 -2.395 -31.406 7.745 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.753 -30.027 5.450 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.916 -32.519 6.764 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.313 -31.834 5.200 1.00 0.00 H new ATOM 82 N CYS A 7 -5.644 -29.361 7.100 1.00 0.00 N ATOM 83 CA CYS A 7 -6.437 -28.697 8.171 1.00 0.00 C ATOM 84 C CYS A 7 -7.922 -28.675 7.810 1.00 0.00 C ATOM 85 O CYS A 7 -8.294 -28.539 6.660 1.00 0.00 O ATOM 86 CB CYS A 7 -5.901 -27.271 8.244 1.00 0.00 C ATOM 87 SG CYS A 7 -5.237 -26.965 9.901 1.00 0.00 S ATOM 0 H CYS A 7 -5.992 -29.225 6.151 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.345 -29.224 9.121 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.123 -27.124 7.495 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.696 -26.560 8.021 1.00 0.00 H new ATOM 92 N THR A 8 -8.772 -28.795 8.790 1.00 0.00 N ATOM 93 CA THR A 8 -10.237 -28.766 8.523 1.00 0.00 C ATOM 94 C THR A 8 -10.816 -27.432 9.000 1.00 0.00 C ATOM 95 O THR A 8 -11.895 -27.032 8.610 1.00 0.00 O ATOM 96 CB THR A 8 -10.814 -29.926 9.335 1.00 0.00 C ATOM 97 OG1 THR A 8 -10.370 -29.825 10.682 1.00 0.00 O ATOM 98 CG2 THR A 8 -10.342 -31.253 8.738 1.00 0.00 C ATOM 0 H THR A 8 -8.514 -28.913 9.770 1.00 0.00 H new ATOM 0 HA THR A 8 -10.473 -28.863 7.463 1.00 0.00 H new ATOM 0 HB THR A 8 -11.903 -29.885 9.307 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.740 -30.567 11.205 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.754 -32.079 9.317 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.682 -31.329 7.705 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.253 -31.298 8.765 1.00 0.00 H new ATOM 106 N SER A 9 -10.096 -26.740 9.841 1.00 0.00 N ATOM 107 CA SER A 9 -10.584 -25.428 10.352 1.00 0.00 C ATOM 108 C SER A 9 -9.427 -24.426 10.396 1.00 0.00 C ATOM 109 O SER A 9 -8.343 -24.736 10.848 1.00 0.00 O ATOM 110 CB SER A 9 -11.100 -25.715 11.762 1.00 0.00 C ATOM 111 OG SER A 9 -10.001 -25.954 12.629 1.00 0.00 O ATOM 0 H SER A 9 -9.185 -27.029 10.198 1.00 0.00 H new ATOM 0 HA SER A 9 -11.360 -24.997 9.719 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.686 -24.871 12.125 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.762 -26.581 11.749 1.00 0.00 H new ATOM 0 HG SER A 9 -10.331 -26.136 13.533 1.00 0.00 H new ATOM 117 N TYR A 10 -9.644 -23.231 9.920 1.00 0.00 N ATOM 118 CA TYR A 10 -8.550 -22.217 9.926 1.00 0.00 C ATOM 119 C TYR A 10 -8.572 -21.407 11.226 1.00 0.00 C ATOM 120 O TYR A 10 -9.270 -21.738 12.163 1.00 0.00 O ATOM 121 CB TYR A 10 -8.839 -21.332 8.712 1.00 0.00 C ATOM 122 CG TYR A 10 -8.818 -22.188 7.463 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.890 -23.232 7.347 1.00 0.00 C ATOM 124 CD2 TYR A 10 -9.726 -21.943 6.427 1.00 0.00 C ATOM 125 CE1 TYR A 10 -7.869 -24.030 6.198 1.00 0.00 C ATOM 126 CE2 TYR A 10 -9.707 -22.742 5.277 1.00 0.00 C ATOM 127 CZ TYR A 10 -8.779 -23.785 5.162 1.00 0.00 C ATOM 128 OH TYR A 10 -8.762 -24.572 4.028 1.00 0.00 O ATOM 0 H TYR A 10 -10.530 -22.912 9.528 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.560 -22.669 9.872 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.810 -20.848 8.821 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.095 -20.539 8.638 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.189 -23.421 8.147 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.441 -21.138 6.514 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.152 -24.833 6.110 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.409 -22.554 4.478 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.185 -25.350 4.178 1.00 0.00 H new ATOM 138 N ILE A 11 -7.798 -20.356 11.295 1.00 0.00 N ATOM 139 CA ILE A 11 -7.761 -19.536 12.543 1.00 0.00 C ATOM 140 C ILE A 11 -9.094 -18.811 12.749 1.00 0.00 C ATOM 141 O ILE A 11 -9.886 -18.672 11.838 1.00 0.00 O ATOM 142 CB ILE A 11 -6.617 -18.525 12.344 1.00 0.00 C ATOM 143 CG1 ILE A 11 -7.087 -17.355 11.472 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.421 -19.210 11.675 1.00 0.00 C ATOM 145 CD1 ILE A 11 -7.344 -17.845 10.046 1.00 0.00 C ATOM 0 H ILE A 11 -7.191 -20.030 10.543 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.599 -20.154 13.426 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.317 -18.145 13.321 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.997 -16.922 11.887 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.333 -16.568 11.466 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.617 -18.487 11.538 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.071 -20.027 12.305 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.723 -19.604 10.705 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.678 -17.011 9.429 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.424 -18.257 9.632 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.114 -18.617 10.060 1.00 0.00 H new ATOM 157 N SER A 12 -9.340 -18.342 13.942 1.00 0.00 N ATOM 158 CA SER A 12 -10.615 -17.618 14.210 1.00 0.00 C ATOM 159 C SER A 12 -10.368 -16.106 14.177 1.00 0.00 C ATOM 160 O SER A 12 -11.254 -15.316 14.435 1.00 0.00 O ATOM 161 CB SER A 12 -11.045 -18.064 15.610 1.00 0.00 C ATOM 162 OG SER A 12 -9.939 -18.635 16.294 1.00 0.00 O ATOM 0 H SER A 12 -8.714 -18.429 14.742 1.00 0.00 H new ATOM 0 HA SER A 12 -11.382 -17.836 13.467 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.431 -17.212 16.170 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.854 -18.791 15.538 1.00 0.00 H new ATOM 0 HG SER A 12 -10.219 -18.917 17.190 1.00 0.00 H new ATOM 168 N GLN A 13 -9.169 -15.701 13.856 1.00 0.00 N ATOM 169 CA GLN A 13 -8.857 -14.244 13.799 1.00 0.00 C ATOM 170 C GLN A 13 -7.858 -13.965 12.674 1.00 0.00 C ATOM 171 O GLN A 13 -7.619 -14.796 11.821 1.00 0.00 O ATOM 172 CB GLN A 13 -8.243 -13.913 15.160 1.00 0.00 C ATOM 173 CG GLN A 13 -7.155 -14.934 15.491 1.00 0.00 C ATOM 174 CD GLN A 13 -6.128 -14.297 16.429 1.00 0.00 C ATOM 175 OE1 GLN A 13 -6.288 -14.325 17.633 1.00 0.00 O ATOM 176 NE2 GLN A 13 -5.071 -13.720 15.925 1.00 0.00 N ATOM 0 H GLN A 13 -8.389 -16.319 13.630 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.741 -13.639 13.597 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.821 -12.908 15.146 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.014 -13.924 15.931 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.597 -15.813 15.961 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.668 -15.272 14.576 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.936 -13.696 14.914 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.380 -13.293 16.542 1.00 0.00 H new ATOM 185 N SER A 14 -7.278 -12.799 12.665 1.00 0.00 N ATOM 186 CA SER A 14 -6.296 -12.458 11.594 1.00 0.00 C ATOM 187 C SER A 14 -5.052 -13.346 11.697 1.00 0.00 C ATOM 188 O SER A 14 -4.646 -13.745 12.770 1.00 0.00 O ATOM 189 CB SER A 14 -5.932 -10.995 11.847 1.00 0.00 C ATOM 190 OG SER A 14 -7.032 -10.166 11.502 1.00 0.00 O ATOM 0 H SER A 14 -7.440 -12.064 13.354 1.00 0.00 H new ATOM 0 HA SER A 14 -6.708 -12.614 10.597 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.669 -10.851 12.895 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.057 -10.720 11.258 1.00 0.00 H new ATOM 0 HG SER A 14 -6.799 -9.228 11.666 1.00 0.00 H new ATOM 196 N ILE A 15 -4.442 -13.649 10.582 1.00 0.00 N ATOM 197 CA ILE A 15 -3.220 -14.504 10.597 1.00 0.00 C ATOM 198 C ILE A 15 -2.037 -13.708 11.156 1.00 0.00 C ATOM 199 O ILE A 15 -1.906 -12.530 10.893 1.00 0.00 O ATOM 200 CB ILE A 15 -2.980 -14.857 9.124 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.961 -15.949 8.690 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.546 -15.359 8.926 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.644 -17.253 9.430 1.00 0.00 C ATOM 0 H ILE A 15 -4.740 -13.339 9.657 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.333 -15.391 11.220 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.133 -13.963 8.520 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.984 -15.638 8.903 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.893 -16.105 7.613 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.389 -15.606 7.876 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.844 -14.581 9.225 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.384 -16.248 9.536 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.345 -18.028 9.118 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.627 -17.567 9.194 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.735 -17.093 10.504 1.00 0.00 H new ATOM 215 N PRO A 16 -1.209 -14.387 11.903 1.00 0.00 N ATOM 216 CA PRO A 16 -0.008 -13.750 12.495 1.00 0.00 C ATOM 217 C PRO A 16 1.115 -13.702 11.454 1.00 0.00 C ATOM 218 O PRO A 16 2.168 -14.279 11.634 1.00 0.00 O ATOM 219 CB PRO A 16 0.366 -14.689 13.635 1.00 0.00 C ATOM 220 CG PRO A 16 -0.184 -16.028 13.241 1.00 0.00 C ATOM 221 CD PRO A 16 -1.320 -15.800 12.271 1.00 0.00 C ATOM 0 HA PRO A 16 -0.178 -12.726 12.828 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.447 -14.732 13.771 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.061 -14.351 14.579 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.593 -16.639 12.781 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.536 -16.569 14.120 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.232 -16.446 11.397 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.284 -16.016 12.731 1.00 0.00 H new ATOM 229 N CYS A 17 0.889 -13.028 10.360 1.00 0.00 N ATOM 230 CA CYS A 17 1.926 -12.949 9.289 1.00 0.00 C ATOM 231 C CYS A 17 3.177 -12.230 9.793 1.00 0.00 C ATOM 232 O CYS A 17 4.259 -12.401 9.265 1.00 0.00 O ATOM 233 CB CYS A 17 1.264 -12.158 8.158 1.00 0.00 C ATOM 234 SG CYS A 17 -0.384 -12.841 7.829 1.00 0.00 S ATOM 0 H CYS A 17 0.025 -12.525 10.160 1.00 0.00 H new ATOM 0 HA CYS A 17 2.252 -13.937 8.963 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.186 -11.106 8.433 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.877 -12.208 7.258 1.00 0.00 H new ATOM 239 N SER A 18 3.043 -11.428 10.813 1.00 0.00 N ATOM 240 CA SER A 18 4.228 -10.696 11.348 1.00 0.00 C ATOM 241 C SER A 18 5.216 -11.654 12.023 1.00 0.00 C ATOM 242 O SER A 18 6.222 -11.235 12.561 1.00 0.00 O ATOM 243 CB SER A 18 3.655 -9.712 12.369 1.00 0.00 C ATOM 244 OG SER A 18 4.517 -9.644 13.495 1.00 0.00 O ATOM 0 H SER A 18 2.165 -11.247 11.300 1.00 0.00 H new ATOM 0 HA SER A 18 4.783 -10.196 10.554 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.548 -8.725 11.919 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.659 -10.031 12.678 1.00 0.00 H new ATOM 0 HG SER A 18 5.431 -9.866 13.221 1.00 0.00 H new ATOM 250 N LEU A 19 4.948 -12.933 12.006 1.00 0.00 N ATOM 251 CA LEU A 19 5.887 -13.891 12.654 1.00 0.00 C ATOM 252 C LEU A 19 6.021 -15.166 11.815 1.00 0.00 C ATOM 253 O LEU A 19 6.551 -16.160 12.271 1.00 0.00 O ATOM 254 CB LEU A 19 5.251 -14.209 14.008 1.00 0.00 C ATOM 255 CG LEU A 19 5.964 -13.418 15.108 1.00 0.00 C ATOM 256 CD1 LEU A 19 5.166 -12.152 15.426 1.00 0.00 C ATOM 257 CD2 LEU A 19 6.074 -14.281 16.366 1.00 0.00 C ATOM 0 H LEU A 19 4.125 -13.352 11.574 1.00 0.00 H new ATOM 0 HA LEU A 19 6.890 -13.476 12.756 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.191 -13.955 13.992 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.320 -15.278 14.212 1.00 0.00 H new ATOM 0 HG LEU A 19 6.962 -13.142 14.768 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.674 -11.589 16.209 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.087 -11.537 14.530 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.168 -12.427 15.766 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.582 -13.719 17.150 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.076 -14.557 16.706 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.643 -15.183 16.140 1.00 0.00 H new ATOM 269 N MET A 20 5.554 -15.153 10.593 1.00 0.00 N ATOM 270 CA MET A 20 5.676 -16.383 9.752 1.00 0.00 C ATOM 271 C MET A 20 6.939 -16.320 8.889 1.00 0.00 C ATOM 272 O MET A 20 7.226 -15.324 8.255 1.00 0.00 O ATOM 273 CB MET A 20 4.432 -16.421 8.856 1.00 0.00 C ATOM 274 CG MET A 20 3.197 -15.955 9.632 1.00 0.00 C ATOM 275 SD MET A 20 2.708 -17.227 10.824 1.00 0.00 S ATOM 276 CE MET A 20 0.926 -17.161 10.505 1.00 0.00 C ATOM 0 H MET A 20 5.100 -14.357 10.145 1.00 0.00 H new ATOM 0 HA MET A 20 5.748 -17.275 10.374 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.584 -15.783 7.986 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.275 -17.434 8.485 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.413 -15.021 10.151 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.377 -15.755 8.943 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.427 -17.951 11.066 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.536 -16.192 10.817 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.742 -17.300 9.440 1.00 0.00 H new ATOM 286 N LYS A 21 7.689 -17.385 8.863 1.00 0.00 N ATOM 287 CA LYS A 21 8.935 -17.413 8.048 1.00 0.00 C ATOM 288 C LYS A 21 8.667 -18.031 6.668 1.00 0.00 C ATOM 289 O LYS A 21 9.169 -17.563 5.665 1.00 0.00 O ATOM 290 CB LYS A 21 9.903 -18.291 8.841 1.00 0.00 C ATOM 291 CG LYS A 21 11.087 -18.677 7.952 1.00 0.00 C ATOM 292 CD LYS A 21 11.754 -17.408 7.416 1.00 0.00 C ATOM 293 CE LYS A 21 12.602 -16.774 8.520 1.00 0.00 C ATOM 294 NZ LYS A 21 14.010 -16.931 8.058 1.00 0.00 N ATOM 0 H LYS A 21 7.491 -18.244 9.376 1.00 0.00 H new ATOM 0 HA LYS A 21 9.330 -16.412 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.256 -17.757 9.723 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.392 -19.187 9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.806 -19.267 8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.747 -19.300 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.378 -17.648 6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.997 -16.703 7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.347 -15.724 8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.442 -17.272 9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.655 -16.520 8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.226 -17.941 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.134 -16.441 7.149 1.00 0.00 H new ATOM 308 N SER A 22 7.889 -19.084 6.604 1.00 0.00 N ATOM 309 CA SER A 22 7.616 -19.719 5.280 1.00 0.00 C ATOM 310 C SER A 22 6.289 -20.488 5.303 1.00 0.00 C ATOM 311 O SER A 22 6.094 -21.388 6.097 1.00 0.00 O ATOM 312 CB SER A 22 8.782 -20.681 5.059 1.00 0.00 C ATOM 313 OG SER A 22 8.626 -21.338 3.810 1.00 0.00 O ATOM 0 H SER A 22 7.436 -19.527 7.403 1.00 0.00 H new ATOM 0 HA SER A 22 7.531 -18.978 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.726 -20.136 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.820 -21.414 5.865 1.00 0.00 H new ATOM 0 HG SER A 22 9.375 -21.954 3.668 1.00 0.00 H new ATOM 319 N TYR A 23 5.381 -20.141 4.431 1.00 0.00 N ATOM 320 CA TYR A 23 4.064 -20.844 4.386 1.00 0.00 C ATOM 321 C TYR A 23 4.099 -21.973 3.349 1.00 0.00 C ATOM 322 O TYR A 23 4.976 -22.030 2.511 1.00 0.00 O ATOM 323 CB TYR A 23 3.068 -19.769 3.960 1.00 0.00 C ATOM 324 CG TYR A 23 3.321 -19.407 2.516 1.00 0.00 C ATOM 325 CD1 TYR A 23 2.665 -20.104 1.494 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.219 -18.380 2.197 1.00 0.00 C ATOM 327 CE1 TYR A 23 2.905 -19.774 0.155 1.00 0.00 C ATOM 328 CE2 TYR A 23 4.458 -18.050 0.858 1.00 0.00 C ATOM 329 CZ TYR A 23 3.802 -18.747 -0.164 1.00 0.00 C ATOM 330 OH TYR A 23 4.037 -18.421 -1.484 1.00 0.00 O ATOM 0 H TYR A 23 5.495 -19.396 3.743 1.00 0.00 H new ATOM 0 HA TYR A 23 3.804 -21.298 5.342 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.047 -20.131 4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.172 -18.888 4.593 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.974 -20.897 1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.727 -17.843 2.984 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.398 -20.312 -0.633 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.149 -17.257 0.613 1.00 0.00 H new ATOM 0 HH TYR A 23 4.485 -17.551 -1.531 1.00 0.00 H new ATOM 340 N PHE A 24 3.144 -22.867 3.390 1.00 0.00 N ATOM 341 CA PHE A 24 3.124 -23.978 2.395 1.00 0.00 C ATOM 342 C PHE A 24 1.684 -24.421 2.118 1.00 0.00 C ATOM 343 O PHE A 24 0.844 -24.421 2.995 1.00 0.00 O ATOM 344 CB PHE A 24 3.937 -25.111 3.031 1.00 0.00 C ATOM 345 CG PHE A 24 3.096 -25.858 4.042 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.180 -26.828 3.615 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.239 -25.583 5.407 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.407 -27.523 4.555 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.467 -26.278 6.345 1.00 0.00 C ATOM 350 CZ PHE A 24 1.551 -27.247 5.920 1.00 0.00 C ATOM 0 H PHE A 24 2.381 -22.875 4.067 1.00 0.00 H new ATOM 0 HA PHE A 24 3.546 -23.676 1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.283 -25.797 2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.824 -24.703 3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.070 -27.040 2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.945 -24.835 5.736 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.701 -28.271 4.227 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.578 -26.066 7.398 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.955 -27.782 6.645 1.00 0.00 H new ATOM 360 N GLU A 25 1.395 -24.807 0.904 1.00 0.00 N ATOM 361 CA GLU A 25 0.013 -25.256 0.573 1.00 0.00 C ATOM 362 C GLU A 25 -0.101 -26.768 0.780 1.00 0.00 C ATOM 363 O GLU A 25 0.787 -27.518 0.427 1.00 0.00 O ATOM 364 CB GLU A 25 -0.178 -24.900 -0.902 1.00 0.00 C ATOM 365 CG GLU A 25 -0.365 -23.388 -1.040 1.00 0.00 C ATOM 366 CD GLU A 25 0.198 -22.924 -2.384 1.00 0.00 C ATOM 367 OE1 GLU A 25 0.200 -23.719 -3.310 1.00 0.00 O ATOM 368 OE2 GLU A 25 0.620 -21.782 -2.465 1.00 0.00 O ATOM 0 H GLU A 25 2.056 -24.831 0.128 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.742 -24.785 1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.687 -25.225 -1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.046 -25.423 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.423 -23.134 -0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.142 -22.872 -0.224 1.00 0.00 H new ATOM 375 N THR A 26 -1.181 -27.224 1.352 1.00 0.00 N ATOM 376 CA THR A 26 -1.332 -28.689 1.580 1.00 0.00 C ATOM 377 C THR A 26 -1.200 -29.447 0.255 1.00 0.00 C ATOM 378 O THR A 26 -0.868 -28.878 -0.766 1.00 0.00 O ATOM 379 CB THR A 26 -2.734 -28.862 2.162 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.691 -28.329 1.257 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.828 -28.125 3.499 1.00 0.00 C ATOM 0 H THR A 26 -1.962 -26.650 1.670 1.00 0.00 H new ATOM 0 HA THR A 26 -0.566 -29.083 2.248 1.00 0.00 H new ATOM 0 HB THR A 26 -2.934 -29.922 2.319 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.932 -29.011 0.596 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.829 -28.249 3.913 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.094 -28.535 4.193 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.628 -27.065 3.345 1.00 0.00 H new ATOM 389 N SER A 27 -1.457 -30.725 0.265 1.00 0.00 N ATOM 390 CA SER A 27 -1.345 -31.519 -0.992 1.00 0.00 C ATOM 391 C SER A 27 -2.695 -32.152 -1.337 1.00 0.00 C ATOM 392 O SER A 27 -3.634 -32.091 -0.568 1.00 0.00 O ATOM 393 CB SER A 27 -0.308 -32.601 -0.687 1.00 0.00 C ATOM 394 OG SER A 27 0.786 -32.023 0.009 1.00 0.00 O ATOM 0 H SER A 27 -1.740 -31.255 1.089 1.00 0.00 H new ATOM 0 HA SER A 27 -1.054 -30.905 -1.844 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.758 -33.392 -0.087 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.038 -33.060 -1.613 1.00 0.00 H new ATOM 0 HG SER A 27 1.451 -32.716 0.207 1.00 0.00 H new ATOM 400 N SER A 28 -2.803 -32.759 -2.488 1.00 0.00 N ATOM 401 CA SER A 28 -4.096 -33.393 -2.874 1.00 0.00 C ATOM 402 C SER A 28 -4.385 -34.586 -1.965 1.00 0.00 C ATOM 403 O SER A 28 -5.496 -35.073 -1.891 1.00 0.00 O ATOM 404 CB SER A 28 -3.901 -33.847 -4.322 1.00 0.00 C ATOM 405 OG SER A 28 -3.958 -32.721 -5.185 1.00 0.00 O ATOM 0 H SER A 28 -2.054 -32.843 -3.176 1.00 0.00 H new ATOM 0 HA SER A 28 -4.940 -32.710 -2.777 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.941 -34.352 -4.429 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.672 -34.567 -4.595 1.00 0.00 H new ATOM 0 HG SER A 28 -3.831 -33.013 -6.112 1.00 0.00 H new ATOM 411 N GLU A 29 -3.391 -35.053 -1.269 1.00 0.00 N ATOM 412 CA GLU A 29 -3.596 -36.211 -0.353 1.00 0.00 C ATOM 413 C GLU A 29 -4.341 -35.759 0.905 1.00 0.00 C ATOM 414 O GLU A 29 -4.890 -36.559 1.636 1.00 0.00 O ATOM 415 CB GLU A 29 -2.188 -36.693 0.000 1.00 0.00 C ATOM 416 CG GLU A 29 -2.261 -38.119 0.549 1.00 0.00 C ATOM 417 CD GLU A 29 -1.814 -38.125 2.013 1.00 0.00 C ATOM 418 OE1 GLU A 29 -2.453 -37.458 2.810 1.00 0.00 O ATOM 419 OE2 GLU A 29 -0.841 -38.798 2.311 1.00 0.00 O ATOM 0 H GLU A 29 -2.441 -34.683 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.192 -37.001 -0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.550 -36.664 -0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.739 -36.030 0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.279 -38.500 0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.625 -38.780 -0.040 1.00 0.00 H new ATOM 426 N CYS A 30 -4.361 -34.479 1.162 1.00 0.00 N ATOM 427 CA CYS A 30 -5.063 -33.966 2.366 1.00 0.00 C ATOM 428 C CYS A 30 -6.579 -34.069 2.177 1.00 0.00 C ATOM 429 O CYS A 30 -7.104 -33.753 1.129 1.00 0.00 O ATOM 430 CB CYS A 30 -4.637 -32.504 2.453 1.00 0.00 C ATOM 431 SG CYS A 30 -3.018 -32.384 3.250 1.00 0.00 S ATOM 0 H CYS A 30 -3.918 -33.765 0.584 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.818 -34.527 3.268 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.594 -32.068 1.455 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -5.374 -31.934 3.019 1.00 0.00 H new ATOM 436 N SER A 31 -7.287 -34.499 3.185 1.00 0.00 N ATOM 437 CA SER A 31 -8.768 -34.607 3.053 1.00 0.00 C ATOM 438 C SER A 31 -9.354 -33.232 2.743 1.00 0.00 C ATOM 439 O SER A 31 -10.458 -33.102 2.254 1.00 0.00 O ATOM 440 CB SER A 31 -9.257 -35.109 4.414 1.00 0.00 C ATOM 441 OG SER A 31 -10.572 -35.630 4.284 1.00 0.00 O ATOM 0 H SER A 31 -6.907 -34.779 4.089 1.00 0.00 H new ATOM 0 HA SER A 31 -9.069 -35.277 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.585 -35.880 4.792 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.247 -34.295 5.138 1.00 0.00 H new ATOM 0 HG SER A 31 -10.884 -35.953 5.155 1.00 0.00 H new ATOM 447 N LYS A 32 -8.606 -32.208 3.024 1.00 0.00 N ATOM 448 CA LYS A 32 -9.081 -30.824 2.751 1.00 0.00 C ATOM 449 C LYS A 32 -7.879 -29.901 2.534 1.00 0.00 C ATOM 450 O LYS A 32 -6.900 -29.984 3.249 1.00 0.00 O ATOM 451 CB LYS A 32 -9.858 -30.415 4.001 1.00 0.00 C ATOM 452 CG LYS A 32 -11.356 -30.605 3.753 1.00 0.00 C ATOM 453 CD LYS A 32 -12.071 -29.259 3.897 1.00 0.00 C ATOM 454 CE LYS A 32 -13.583 -29.490 3.982 1.00 0.00 C ATOM 455 NZ LYS A 32 -14.032 -29.653 2.567 1.00 0.00 N ATOM 0 H LYS A 32 -7.675 -32.269 3.436 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.701 -30.762 1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.540 -31.016 4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.648 -29.374 4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.522 -31.012 2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.765 -31.324 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.720 -28.743 4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.838 -28.618 3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.814 -30.376 4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.084 -28.648 4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.059 -29.815 2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.806 -28.792 2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.544 -30.466 2.139 1.00 0.00 H new ATOM 469 N PRO A 33 -7.989 -29.054 1.549 1.00 0.00 N ATOM 470 CA PRO A 33 -6.890 -28.112 1.233 1.00 0.00 C ATOM 471 C PRO A 33 -6.760 -27.045 2.319 1.00 0.00 C ATOM 472 O PRO A 33 -7.517 -27.010 3.269 1.00 0.00 O ATOM 473 CB PRO A 33 -7.313 -27.493 -0.093 1.00 0.00 C ATOM 474 CG PRO A 33 -8.802 -27.641 -0.129 1.00 0.00 C ATOM 475 CD PRO A 33 -9.134 -28.892 0.645 1.00 0.00 C ATOM 0 HA PRO A 33 -5.917 -28.600 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.019 -26.445 -0.152 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.845 -28.003 -0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.288 -26.772 0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.158 -27.716 -1.156 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.068 -28.786 1.197 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.249 -29.752 -0.014 1.00 0.00 H new ATOM 483 N GLY A 34 -5.800 -26.176 2.181 1.00 0.00 N ATOM 484 CA GLY A 34 -5.607 -25.109 3.199 1.00 0.00 C ATOM 485 C GLY A 34 -4.153 -24.637 3.162 1.00 0.00 C ATOM 486 O GLY A 34 -3.250 -25.401 2.884 1.00 0.00 O ATOM 0 H GLY A 34 -5.139 -26.159 1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.278 -24.274 3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.854 -25.487 4.191 1.00 0.00 H new ATOM 490 N VAL A 35 -3.918 -23.388 3.447 1.00 0.00 N ATOM 491 CA VAL A 35 -2.522 -22.873 3.436 1.00 0.00 C ATOM 492 C VAL A 35 -2.029 -22.729 4.875 1.00 0.00 C ATOM 493 O VAL A 35 -2.555 -21.951 5.645 1.00 0.00 O ATOM 494 CB VAL A 35 -2.607 -21.507 2.746 1.00 0.00 C ATOM 495 CG1 VAL A 35 -1.387 -20.659 3.117 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.647 -21.706 1.230 1.00 0.00 C ATOM 0 H VAL A 35 -4.633 -22.701 3.687 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.827 -23.535 2.919 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.512 -20.995 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.454 -19.690 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.359 -20.515 4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.479 -21.168 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.707 -20.736 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.743 -22.221 0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.519 -22.303 0.964 1.00 0.00 H new ATOM 506 N ILE A 36 -1.029 -23.475 5.251 1.00 0.00 N ATOM 507 CA ILE A 36 -0.525 -23.374 6.646 1.00 0.00 C ATOM 508 C ILE A 36 0.752 -22.543 6.688 1.00 0.00 C ATOM 509 O ILE A 36 1.696 -22.806 5.975 1.00 0.00 O ATOM 510 CB ILE A 36 -0.245 -24.812 7.082 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.574 -25.517 7.373 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.627 -24.800 8.344 1.00 0.00 C ATOM 513 CD1 ILE A 36 -1.326 -26.770 8.219 1.00 0.00 C ATOM 0 H ILE A 36 -0.542 -24.146 4.657 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.243 -22.886 7.305 1.00 0.00 H new ATOM 0 HB ILE A 36 0.280 -25.344 6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.247 -24.840 7.899 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.063 -25.790 6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.828 -25.825 8.657 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.569 -24.294 8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.105 -24.273 9.142 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.275 -27.266 8.422 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.670 -27.451 7.677 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.856 -26.486 9.161 1.00 0.00 H new ATOM 525 N PHE A 37 0.796 -21.547 7.523 1.00 0.00 N ATOM 526 CA PHE A 37 2.027 -20.715 7.605 1.00 0.00 C ATOM 527 C PHE A 37 2.974 -21.306 8.650 1.00 0.00 C ATOM 528 O PHE A 37 2.563 -21.671 9.733 1.00 0.00 O ATOM 529 CB PHE A 37 1.559 -19.328 8.053 1.00 0.00 C ATOM 530 CG PHE A 37 0.745 -18.667 6.964 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.620 -18.954 6.841 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.351 -17.756 6.087 1.00 0.00 C ATOM 533 CE1 PHE A 37 -1.379 -18.335 5.841 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.590 -17.135 5.089 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.773 -17.423 4.966 1.00 0.00 C ATOM 0 H PHE A 37 0.039 -21.273 8.149 1.00 0.00 H new ATOM 0 HA PHE A 37 2.558 -20.674 6.654 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.961 -19.415 8.960 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.421 -18.708 8.298 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.088 -19.653 7.518 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.404 -17.534 6.181 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.431 -18.560 5.744 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.056 -16.433 4.414 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.359 -16.942 4.196 1.00 0.00 H new ATOM 545 N LEU A 38 4.237 -21.388 8.350 1.00 0.00 N ATOM 546 CA LEU A 38 5.192 -21.938 9.350 1.00 0.00 C ATOM 547 C LEU A 38 5.870 -20.771 10.058 1.00 0.00 C ATOM 548 O LEU A 38 6.450 -19.915 9.429 1.00 0.00 O ATOM 549 CB LEU A 38 6.203 -22.755 8.546 1.00 0.00 C ATOM 550 CG LEU A 38 6.433 -24.102 9.238 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.485 -25.214 8.190 1.00 0.00 C ATOM 552 CD2 LEU A 38 7.755 -24.062 10.006 1.00 0.00 C ATOM 0 H LEU A 38 4.649 -21.100 7.462 1.00 0.00 H new ATOM 0 HA LEU A 38 4.712 -22.558 10.107 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.836 -22.913 7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.144 -22.211 8.463 1.00 0.00 H new ATOM 0 HG LEU A 38 5.615 -24.297 9.932 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.649 -26.172 8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.542 -25.244 7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.301 -25.020 7.494 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.919 -25.020 10.499 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.573 -23.866 9.313 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.717 -23.271 10.755 1.00 0.00 H new ATOM 564 N THR A 39 5.774 -20.713 11.354 1.00 0.00 N ATOM 565 CA THR A 39 6.385 -19.575 12.096 1.00 0.00 C ATOM 566 C THR A 39 7.824 -19.895 12.486 1.00 0.00 C ATOM 567 O THR A 39 8.182 -21.032 12.720 1.00 0.00 O ATOM 568 CB THR A 39 5.525 -19.420 13.352 1.00 0.00 C ATOM 569 OG1 THR A 39 5.864 -20.443 14.279 1.00 0.00 O ATOM 570 CG2 THR A 39 4.046 -19.539 12.984 1.00 0.00 C ATOM 0 H THR A 39 5.299 -21.404 11.934 1.00 0.00 H new ATOM 0 HA THR A 39 6.415 -18.667 11.494 1.00 0.00 H new ATOM 0 HB THR A 39 5.707 -18.442 13.798 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.722 -20.117 15.192 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.438 -19.428 13.882 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.785 -18.758 12.270 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.860 -20.516 12.538 1.00 0.00 H new ATOM 578 N LYS A 40 8.652 -18.892 12.561 1.00 0.00 N ATOM 579 CA LYS A 40 10.072 -19.124 12.942 1.00 0.00 C ATOM 580 C LYS A 40 10.149 -19.628 14.386 1.00 0.00 C ATOM 581 O LYS A 40 11.069 -20.326 14.764 1.00 0.00 O ATOM 582 CB LYS A 40 10.746 -17.758 12.815 1.00 0.00 C ATOM 583 CG LYS A 40 12.263 -17.941 12.767 1.00 0.00 C ATOM 584 CD LYS A 40 12.927 -16.956 13.730 1.00 0.00 C ATOM 585 CE LYS A 40 14.443 -17.164 13.706 1.00 0.00 C ATOM 586 NZ LYS A 40 14.784 -17.651 15.073 1.00 0.00 N ATOM 0 H LYS A 40 8.406 -17.920 12.375 1.00 0.00 H new ATOM 0 HA LYS A 40 10.553 -19.873 12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.401 -17.253 11.913 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.472 -17.125 13.659 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.525 -18.964 13.038 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.628 -17.777 11.753 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.685 -15.932 13.444 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.545 -17.104 14.740 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.730 -17.889 12.945 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.966 -16.236 13.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.809 -17.817 15.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.505 -16.937 15.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.277 -18.539 15.262 1.00 0.00 H new ATOM 600 N LYS A 41 9.187 -19.277 15.198 1.00 0.00 N ATOM 601 CA LYS A 41 9.203 -19.733 16.619 1.00 0.00 C ATOM 602 C LYS A 41 8.942 -21.239 16.698 1.00 0.00 C ATOM 603 O LYS A 41 9.041 -21.843 17.747 1.00 0.00 O ATOM 604 CB LYS A 41 8.079 -18.954 17.302 1.00 0.00 C ATOM 605 CG LYS A 41 8.685 -17.917 18.251 1.00 0.00 C ATOM 606 CD LYS A 41 7.736 -17.689 19.431 1.00 0.00 C ATOM 607 CE LYS A 41 8.437 -16.834 20.489 1.00 0.00 C ATOM 608 NZ LYS A 41 9.214 -17.804 21.312 1.00 0.00 N ATOM 0 H LYS A 41 8.391 -18.694 14.939 1.00 0.00 H new ATOM 0 HA LYS A 41 10.167 -19.555 17.096 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.457 -18.460 16.555 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.433 -19.636 17.855 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.655 -18.261 18.611 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.856 -16.980 17.722 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.827 -17.193 19.090 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.436 -18.645 19.860 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.091 -16.093 20.029 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.716 -16.288 21.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.081 -17.348 21.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.638 -18.113 22.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.466 -18.629 20.731 1.00 0.00 H new ATOM 622 N GLY A 42 8.619 -21.848 15.593 1.00 0.00 N ATOM 623 CA GLY A 42 8.360 -23.317 15.596 1.00 0.00 C ATOM 624 C GLY A 42 6.865 -23.591 15.784 1.00 0.00 C ATOM 625 O GLY A 42 6.459 -24.250 16.718 1.00 0.00 O ATOM 0 H GLY A 42 8.523 -21.393 14.685 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.702 -23.756 14.659 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.927 -23.792 16.396 1.00 0.00 H new ATOM 629 N ARG A 43 6.042 -23.098 14.897 1.00 0.00 N ATOM 630 CA ARG A 43 4.576 -23.343 15.024 1.00 0.00 C ATOM 631 C ARG A 43 3.930 -23.367 13.635 1.00 0.00 C ATOM 632 O ARG A 43 4.588 -23.153 12.639 1.00 0.00 O ATOM 633 CB ARG A 43 4.046 -22.168 15.846 1.00 0.00 C ATOM 634 CG ARG A 43 2.962 -22.667 16.803 1.00 0.00 C ATOM 635 CD ARG A 43 3.234 -22.130 18.209 1.00 0.00 C ATOM 636 NE ARG A 43 2.300 -22.886 19.092 1.00 0.00 N ATOM 637 CZ ARG A 43 1.011 -22.762 18.934 1.00 0.00 C ATOM 638 NH1 ARG A 43 0.497 -21.593 18.661 1.00 0.00 N ATOM 639 NH2 ARG A 43 0.235 -23.805 19.049 1.00 0.00 N ATOM 0 H ARG A 43 6.321 -22.537 14.092 1.00 0.00 H new ATOM 0 HA ARG A 43 4.352 -24.299 15.497 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.858 -21.707 16.408 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.640 -21.402 15.186 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.981 -22.338 16.461 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.947 -23.757 16.815 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.272 -22.291 18.500 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.050 -21.057 18.265 1.00 0.00 H new ATOM 0 HE ARG A 43 2.669 -23.499 19.819 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.103 -20.778 18.571 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.511 -21.495 18.537 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.636 -24.718 19.263 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.773 -23.707 18.925 1.00 0.00 H new ATOM 653 N GLN A 44 2.653 -23.624 13.558 1.00 0.00 N ATOM 654 CA GLN A 44 1.984 -23.656 12.224 1.00 0.00 C ATOM 655 C GLN A 44 0.544 -23.151 12.334 1.00 0.00 C ATOM 656 O GLN A 44 -0.199 -23.545 13.211 1.00 0.00 O ATOM 657 CB GLN A 44 1.995 -25.126 11.795 1.00 0.00 C ATOM 658 CG GLN A 44 3.425 -25.668 11.839 1.00 0.00 C ATOM 659 CD GLN A 44 3.573 -26.800 10.821 1.00 0.00 C ATOM 660 OE1 GLN A 44 3.873 -26.559 9.667 1.00 0.00 O ATOM 661 NE2 GLN A 44 3.375 -28.032 11.199 1.00 0.00 N ATOM 0 H GLN A 44 2.046 -23.812 14.356 1.00 0.00 H new ATOM 0 HA GLN A 44 2.495 -23.017 11.504 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.354 -25.711 12.454 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.590 -25.223 10.788 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.134 -24.871 11.618 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.657 -26.032 12.840 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.123 -28.234 12.167 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.472 -28.793 10.527 1.00 0.00 H new ATOM 670 N VAL A 45 0.143 -22.291 11.441 1.00 0.00 N ATOM 671 CA VAL A 45 -1.251 -21.766 11.476 1.00 0.00 C ATOM 672 C VAL A 45 -2.025 -22.305 10.273 1.00 0.00 C ATOM 673 O VAL A 45 -1.442 -22.759 9.311 1.00 0.00 O ATOM 674 CB VAL A 45 -1.110 -20.246 11.388 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.479 -19.624 11.107 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.565 -19.708 12.713 1.00 0.00 C ATOM 0 H VAL A 45 0.723 -21.927 10.685 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.791 -22.065 12.374 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.422 -19.989 10.582 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.380 -18.540 11.044 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.867 -20.009 10.164 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.167 -19.879 11.913 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.464 -18.624 12.652 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.252 -19.963 13.520 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.410 -20.153 12.913 1.00 0.00 H new ATOM 686 N CYS A 46 -3.328 -22.262 10.315 1.00 0.00 N ATOM 687 CA CYS A 46 -4.126 -22.782 9.166 1.00 0.00 C ATOM 688 C CYS A 46 -5.077 -21.700 8.651 1.00 0.00 C ATOM 689 O CYS A 46 -5.910 -21.200 9.376 1.00 0.00 O ATOM 690 CB CYS A 46 -4.913 -23.962 9.738 1.00 0.00 C ATOM 691 SG CYS A 46 -3.911 -25.465 9.641 1.00 0.00 S ATOM 0 H CYS A 46 -3.875 -21.891 11.092 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.499 -23.078 8.325 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.187 -23.762 10.774 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.842 -24.096 9.183 1.00 0.00 H new ATOM 696 N ALA A 47 -4.962 -21.334 7.403 1.00 0.00 N ATOM 697 CA ALA A 47 -5.864 -20.283 6.851 1.00 0.00 C ATOM 698 C ALA A 47 -6.419 -20.721 5.496 1.00 0.00 C ATOM 699 O ALA A 47 -5.906 -21.624 4.869 1.00 0.00 O ATOM 700 CB ALA A 47 -4.982 -19.045 6.693 1.00 0.00 C ATOM 0 H ALA A 47 -4.284 -21.716 6.743 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.720 -20.093 7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.576 -18.224 6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.579 -18.759 7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.161 -19.268 6.011 1.00 0.00 H new ATOM 706 N LYS A 48 -7.461 -20.085 5.036 1.00 0.00 N ATOM 707 CA LYS A 48 -8.037 -20.469 3.716 1.00 0.00 C ATOM 708 C LYS A 48 -6.967 -20.352 2.628 1.00 0.00 C ATOM 709 O LYS A 48 -5.850 -19.953 2.897 1.00 0.00 O ATOM 710 CB LYS A 48 -9.169 -19.470 3.468 1.00 0.00 C ATOM 711 CG LYS A 48 -10.508 -20.213 3.450 1.00 0.00 C ATOM 712 CD LYS A 48 -11.501 -19.453 2.569 1.00 0.00 C ATOM 713 CE LYS A 48 -12.579 -20.417 2.066 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.823 -19.999 2.770 1.00 0.00 N ATOM 0 H LYS A 48 -7.937 -19.320 5.514 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.397 -21.498 3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.174 -18.708 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.013 -18.955 2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.369 -21.225 3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.900 -20.303 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.959 -18.642 3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.981 -18.999 1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.695 -20.350 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.323 -21.451 2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.610 -20.613 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.684 -20.079 3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.045 -19.013 2.527 1.00 0.00 H new ATOM 728 N PRO A 49 -7.345 -20.705 1.431 1.00 0.00 N ATOM 729 CA PRO A 49 -6.404 -20.637 0.286 1.00 0.00 C ATOM 730 C PRO A 49 -6.133 -19.179 -0.089 1.00 0.00 C ATOM 731 O PRO A 49 -5.050 -18.823 -0.509 1.00 0.00 O ATOM 732 CB PRO A 49 -7.150 -21.358 -0.833 1.00 0.00 C ATOM 733 CG PRO A 49 -8.596 -21.225 -0.474 1.00 0.00 C ATOM 734 CD PRO A 49 -8.670 -21.192 1.030 1.00 0.00 C ATOM 0 HA PRO A 49 -5.433 -21.084 0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.940 -20.907 -1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.853 -22.405 -0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.018 -20.316 -0.902 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.171 -22.061 -0.871 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.463 -20.530 1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.876 -22.180 1.443 1.00 0.00 H new ATOM 742 N SER A 50 -7.114 -18.331 0.062 1.00 0.00 N ATOM 743 CA SER A 50 -6.920 -16.894 -0.283 1.00 0.00 C ATOM 744 C SER A 50 -7.538 -16.007 0.802 1.00 0.00 C ATOM 745 O SER A 50 -8.164 -15.005 0.517 1.00 0.00 O ATOM 746 CB SER A 50 -7.652 -16.706 -1.611 1.00 0.00 C ATOM 747 OG SER A 50 -7.632 -17.925 -2.339 1.00 0.00 O ATOM 0 H SER A 50 -8.042 -18.572 0.410 1.00 0.00 H new ATOM 0 HA SER A 50 -5.867 -16.622 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.681 -16.395 -1.431 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.177 -15.915 -2.192 1.00 0.00 H new ATOM 0 HG SER A 50 -8.103 -17.805 -3.190 1.00 0.00 H new ATOM 753 N GLY A 51 -7.367 -16.368 2.044 1.00 0.00 N ATOM 754 CA GLY A 51 -7.944 -15.547 3.146 1.00 0.00 C ATOM 755 C GLY A 51 -7.652 -14.068 2.887 1.00 0.00 C ATOM 756 O GLY A 51 -6.742 -13.733 2.153 1.00 0.00 O ATOM 0 H GLY A 51 -6.853 -17.196 2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.020 -15.710 3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.517 -15.851 4.102 1.00 0.00 H new ATOM 760 N PRO A 52 -8.438 -13.229 3.504 1.00 0.00 N ATOM 761 CA PRO A 52 -8.268 -11.763 3.342 1.00 0.00 C ATOM 762 C PRO A 52 -6.961 -11.309 3.993 1.00 0.00 C ATOM 763 O PRO A 52 -6.937 -10.868 5.124 1.00 0.00 O ATOM 764 CB PRO A 52 -9.481 -11.181 4.066 1.00 0.00 C ATOM 765 CG PRO A 52 -9.878 -12.236 5.047 1.00 0.00 C ATOM 766 CD PRO A 52 -9.544 -13.559 4.410 1.00 0.00 C ATOM 0 HA PRO A 52 -8.213 -11.444 2.301 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.232 -10.246 4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.291 -10.962 3.370 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.342 -12.112 5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.942 -12.173 5.275 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.248 -14.300 5.153 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.396 -13.972 3.870 1.00 0.00 H new ATOM 774 N GLY A 53 -5.872 -11.421 3.282 1.00 0.00 N ATOM 775 CA GLY A 53 -4.561 -11.006 3.852 1.00 0.00 C ATOM 776 C GLY A 53 -3.626 -12.216 3.884 1.00 0.00 C ATOM 777 O GLY A 53 -2.419 -12.082 3.912 1.00 0.00 O ATOM 0 H GLY A 53 -5.835 -11.783 2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.124 -10.209 3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.697 -10.608 4.858 1.00 0.00 H new ATOM 781 N VAL A 54 -4.178 -13.400 3.873 1.00 0.00 N ATOM 782 CA VAL A 54 -3.328 -14.626 3.897 1.00 0.00 C ATOM 783 C VAL A 54 -2.405 -14.643 2.680 1.00 0.00 C ATOM 784 O VAL A 54 -1.262 -15.045 2.762 1.00 0.00 O ATOM 785 CB VAL A 54 -4.325 -15.788 3.843 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.594 -17.092 3.511 1.00 0.00 C ATOM 787 CG2 VAL A 54 -5.016 -15.927 5.201 1.00 0.00 C ATOM 0 H VAL A 54 -5.183 -13.571 3.848 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.688 -14.680 4.778 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.066 -15.587 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.311 -17.912 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.102 -16.997 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.848 -17.296 4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.726 -16.753 5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.270 -16.123 5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.545 -15.004 5.436 1.00 0.00 H new ATOM 797 N GLN A 55 -2.887 -14.204 1.552 1.00 0.00 N ATOM 798 CA GLN A 55 -2.026 -14.194 0.338 1.00 0.00 C ATOM 799 C GLN A 55 -0.923 -13.154 0.509 1.00 0.00 C ATOM 800 O GLN A 55 0.197 -13.343 0.076 1.00 0.00 O ATOM 801 CB GLN A 55 -2.955 -13.813 -0.815 1.00 0.00 C ATOM 802 CG GLN A 55 -2.837 -14.855 -1.930 1.00 0.00 C ATOM 803 CD GLN A 55 -1.398 -14.890 -2.446 1.00 0.00 C ATOM 804 OE1 GLN A 55 -0.670 -13.926 -2.316 1.00 0.00 O ATOM 805 NE2 GLN A 55 -0.954 -15.968 -3.033 1.00 0.00 N ATOM 0 H GLN A 55 -3.835 -13.853 1.418 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.544 -15.155 0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.985 -13.756 -0.463 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.694 -12.826 -1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.124 -15.838 -1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.520 -14.611 -2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.565 -16.778 -3.142 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.004 -16.001 -3.382 1.00 0.00 H new ATOM 814 N ASP A 56 -1.224 -12.063 1.156 1.00 0.00 N ATOM 815 CA ASP A 56 -0.184 -11.024 1.372 1.00 0.00 C ATOM 816 C ASP A 56 0.900 -11.582 2.294 1.00 0.00 C ATOM 817 O ASP A 56 2.069 -11.286 2.144 1.00 0.00 O ATOM 818 CB ASP A 56 -0.911 -9.856 2.037 1.00 0.00 C ATOM 819 CG ASP A 56 -0.018 -8.614 2.001 1.00 0.00 C ATOM 820 OD1 ASP A 56 1.146 -8.755 1.666 1.00 0.00 O ATOM 821 OD2 ASP A 56 -0.515 -7.542 2.307 1.00 0.00 O ATOM 0 H ASP A 56 -2.143 -11.848 1.543 1.00 0.00 H new ATOM 0 HA ASP A 56 0.300 -10.713 0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.850 -9.657 1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.161 -10.108 3.068 1.00 0.00 H new ATOM 826 N CYS A 57 0.523 -12.404 3.238 1.00 0.00 N ATOM 827 CA CYS A 57 1.541 -12.992 4.152 1.00 0.00 C ATOM 828 C CYS A 57 2.459 -13.916 3.354 1.00 0.00 C ATOM 829 O CYS A 57 3.653 -13.965 3.571 1.00 0.00 O ATOM 830 CB CYS A 57 0.741 -13.778 5.188 1.00 0.00 C ATOM 831 SG CYS A 57 -0.587 -12.731 5.830 1.00 0.00 S ATOM 0 H CYS A 57 -0.440 -12.691 3.414 1.00 0.00 H new ATOM 0 HA CYS A 57 2.171 -12.240 4.627 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.325 -14.679 4.737 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.392 -14.100 6.001 1.00 0.00 H new ATOM 836 N MET A 58 1.906 -14.642 2.421 1.00 0.00 N ATOM 837 CA MET A 58 2.741 -15.555 1.595 1.00 0.00 C ATOM 838 C MET A 58 3.664 -14.738 0.691 1.00 0.00 C ATOM 839 O MET A 58 4.774 -15.137 0.396 1.00 0.00 O ATOM 840 CB MET A 58 1.749 -16.346 0.752 1.00 0.00 C ATOM 841 CG MET A 58 0.849 -17.182 1.665 1.00 0.00 C ATOM 842 SD MET A 58 0.205 -18.602 0.744 1.00 0.00 S ATOM 843 CE MET A 58 -0.470 -17.679 -0.658 1.00 0.00 C ATOM 0 H MET A 58 0.911 -14.641 2.196 1.00 0.00 H new ATOM 0 HA MET A 58 3.370 -16.205 2.204 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.144 -15.667 0.152 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.283 -16.995 0.058 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.412 -17.524 2.534 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.025 -16.573 2.038 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.987 -18.364 -1.330 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.172 -16.928 -0.295 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.342 -17.188 -1.195 1.00 0.00 H new ATOM 853 N LYS A 59 3.213 -13.595 0.251 1.00 0.00 N ATOM 854 CA LYS A 59 4.065 -12.751 -0.630 1.00 0.00 C ATOM 855 C LYS A 59 5.292 -12.287 0.151 1.00 0.00 C ATOM 856 O LYS A 59 6.407 -12.351 -0.328 1.00 0.00 O ATOM 857 CB LYS A 59 3.184 -11.562 -1.013 1.00 0.00 C ATOM 858 CG LYS A 59 3.278 -11.323 -2.520 1.00 0.00 C ATOM 859 CD LYS A 59 2.214 -12.157 -3.237 1.00 0.00 C ATOM 860 CE LYS A 59 2.138 -11.735 -4.705 1.00 0.00 C ATOM 861 NZ LYS A 59 0.795 -12.189 -5.165 1.00 0.00 N ATOM 0 H LYS A 59 2.292 -13.211 0.464 1.00 0.00 H new ATOM 0 HA LYS A 59 4.422 -13.283 -1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.150 -11.755 -0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.502 -10.671 -0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.136 -10.265 -2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.271 -11.593 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.458 -13.217 -3.165 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.245 -12.019 -2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.248 -10.656 -4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.933 -12.197 -5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.667 -11.935 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.722 -13.221 -5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.058 -11.728 -4.594 1.00 0.00 H new ATOM 875 N LYS A 60 5.097 -11.838 1.360 1.00 0.00 N ATOM 876 CA LYS A 60 6.257 -11.392 2.177 1.00 0.00 C ATOM 877 C LYS A 60 7.121 -12.605 2.530 1.00 0.00 C ATOM 878 O LYS A 60 8.310 -12.490 2.747 1.00 0.00 O ATOM 879 CB LYS A 60 5.646 -10.780 3.438 1.00 0.00 C ATOM 880 CG LYS A 60 5.155 -9.363 3.132 1.00 0.00 C ATOM 881 CD LYS A 60 6.356 -8.448 2.883 1.00 0.00 C ATOM 882 CE LYS A 60 6.766 -7.776 4.195 1.00 0.00 C ATOM 883 NZ LYS A 60 6.197 -6.401 4.116 1.00 0.00 N ATOM 0 H LYS A 60 4.187 -11.761 1.815 1.00 0.00 H new ATOM 0 HA LYS A 60 6.892 -10.677 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.818 -11.395 3.789 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.386 -10.755 4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.505 -9.373 2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.563 -8.984 3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.189 -9.025 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.103 -7.693 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.373 -8.317 5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.850 -7.749 4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.436 -5.876 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.594 -5.908 3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.163 -6.458 4.020 1.00 0.00 H new ATOM 897 N LEU A 61 6.529 -13.770 2.578 1.00 0.00 N ATOM 898 CA LEU A 61 7.313 -14.994 2.905 1.00 0.00 C ATOM 899 C LEU A 61 8.129 -15.434 1.687 1.00 0.00 C ATOM 900 O LEU A 61 8.808 -16.441 1.713 1.00 0.00 O ATOM 901 CB LEU A 61 6.264 -16.049 3.265 1.00 0.00 C ATOM 902 CG LEU A 61 6.262 -16.282 4.780 1.00 0.00 C ATOM 903 CD1 LEU A 61 6.311 -14.936 5.509 1.00 0.00 C ATOM 904 CD2 LEU A 61 4.988 -17.028 5.178 1.00 0.00 C ATOM 0 H LEU A 61 5.536 -13.925 2.405 1.00 0.00 H new ATOM 0 HA LEU A 61 8.020 -14.832 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.278 -15.721 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.480 -16.982 2.744 1.00 0.00 H new ATOM 0 HG LEU A 61 7.135 -16.874 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.309 -15.105 6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.219 -14.402 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.440 -14.341 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.985 -17.194 6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.117 -16.434 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.952 -17.988 4.663 1.00 0.00 H new ATOM 916 N LYS A 62 8.063 -14.689 0.616 1.00 0.00 N ATOM 917 CA LYS A 62 8.829 -15.067 -0.606 1.00 0.00 C ATOM 918 C LYS A 62 9.706 -13.899 -1.067 1.00 0.00 C ATOM 919 O LYS A 62 9.259 -13.038 -1.799 1.00 0.00 O ATOM 920 CB LYS A 62 7.762 -15.383 -1.655 1.00 0.00 C ATOM 921 CG LYS A 62 8.278 -16.469 -2.600 1.00 0.00 C ATOM 922 CD LYS A 62 7.254 -17.603 -2.677 1.00 0.00 C ATOM 923 CE LYS A 62 7.956 -18.896 -3.097 1.00 0.00 C ATOM 924 NZ LYS A 62 6.865 -19.905 -3.203 1.00 0.00 N ATOM 0 H LYS A 62 7.511 -13.835 0.535 1.00 0.00 H new ATOM 0 HA LYS A 62 9.496 -15.912 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.846 -15.716 -1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.514 -14.484 -2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.450 -16.052 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.235 -16.851 -2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.770 -17.737 -1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.471 -17.353 -3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.475 -18.773 -4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.703 -19.197 -2.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.266 -20.821 -3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.394 -20.005 -2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.173 -19.594 -3.914 1.00 0.00 H new ATOM 938 N PRO A 63 10.931 -13.911 -0.617 1.00 0.00 N ATOM 939 CA PRO A 63 11.887 -12.838 -0.983 1.00 0.00 C ATOM 940 C PRO A 63 12.371 -13.023 -2.425 1.00 0.00 C ATOM 941 O PRO A 63 13.410 -13.603 -2.670 1.00 0.00 O ATOM 942 CB PRO A 63 13.037 -13.035 -0.001 1.00 0.00 C ATOM 943 CG PRO A 63 12.972 -14.479 0.390 1.00 0.00 C ATOM 944 CD PRO A 63 11.533 -14.914 0.268 1.00 0.00 C ATOM 0 HA PRO A 63 11.451 -11.840 -0.931 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.995 -12.794 -0.462 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.929 -12.386 0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.611 -15.081 -0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.330 -14.617 1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.454 -15.916 -0.153 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.039 -14.936 1.240 1.00 0.00 H new ATOM 952 N TYR A 64 11.629 -12.535 -3.380 1.00 0.00 N ATOM 953 CA TYR A 64 12.054 -12.686 -4.802 1.00 0.00 C ATOM 954 C TYR A 64 12.587 -11.357 -5.341 1.00 0.00 C ATOM 955 O TYR A 64 12.133 -10.859 -6.351 1.00 0.00 O ATOM 956 CB TYR A 64 10.791 -13.105 -5.554 1.00 0.00 C ATOM 957 CG TYR A 64 10.853 -14.585 -5.847 1.00 0.00 C ATOM 958 CD1 TYR A 64 11.030 -15.497 -4.800 1.00 0.00 C ATOM 959 CD2 TYR A 64 10.740 -15.044 -7.165 1.00 0.00 C ATOM 960 CE1 TYR A 64 11.091 -16.869 -5.071 1.00 0.00 C ATOM 961 CE2 TYR A 64 10.802 -16.416 -7.436 1.00 0.00 C ATOM 962 CZ TYR A 64 10.977 -17.329 -6.388 1.00 0.00 C ATOM 963 OH TYR A 64 11.040 -18.682 -6.655 1.00 0.00 O ATOM 0 H TYR A 64 10.749 -12.039 -3.239 1.00 0.00 H new ATOM 0 HA TYR A 64 12.855 -13.416 -4.916 1.00 0.00 H new ATOM 0 HB2 TYR A 64 9.907 -12.877 -4.959 1.00 0.00 H new ATOM 0 HB3 TYR A 64 10.703 -12.542 -6.483 1.00 0.00 H new ATOM 0 HD1 TYR A 64 11.119 -15.142 -3.784 1.00 0.00 H new ATOM 0 HD2 TYR A 64 10.605 -14.340 -7.972 1.00 0.00 H new ATOM 0 HE1 TYR A 64 11.226 -17.573 -4.263 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.715 -16.770 -8.452 1.00 0.00 H new ATOM 0 HH TYR A 64 10.943 -18.830 -7.619 1.00 0.00 H new ATOM 973 N SER A 65 13.550 -10.782 -4.675 1.00 0.00 N ATOM 974 CA SER A 65 14.117 -9.488 -5.150 1.00 0.00 C ATOM 975 C SER A 65 15.568 -9.683 -5.597 1.00 0.00 C ATOM 976 O SER A 65 16.344 -10.351 -4.944 1.00 0.00 O ATOM 977 CB SER A 65 14.050 -8.558 -3.938 1.00 0.00 C ATOM 978 OG SER A 65 14.737 -9.152 -2.846 1.00 0.00 O ATOM 0 H SER A 65 13.969 -11.152 -3.822 1.00 0.00 H new ATOM 0 HA SER A 65 13.572 -9.085 -6.003 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.497 -7.594 -4.181 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.011 -8.369 -3.668 1.00 0.00 H new ATOM 0 HG SER A 65 15.500 -9.668 -3.181 1.00 0.00 H new ATOM 984 N ILE A 66 15.938 -9.108 -6.707 1.00 0.00 N ATOM 985 CA ILE A 66 17.338 -9.263 -7.196 1.00 0.00 C ATOM 986 C ILE A 66 18.082 -7.927 -7.109 1.00 0.00 C ATOM 987 O ILE A 66 17.608 -6.968 -7.695 1.00 0.00 O ATOM 988 CB ILE A 66 17.198 -9.707 -8.652 1.00 0.00 C ATOM 989 CG1 ILE A 66 16.677 -11.145 -8.698 1.00 0.00 C ATOM 990 CG2 ILE A 66 18.563 -9.637 -9.340 1.00 0.00 C ATOM 991 CD1 ILE A 66 16.624 -11.624 -10.150 1.00 0.00 C ATOM 992 OXT ILE A 66 19.112 -7.888 -6.458 1.00 0.00 O ATOM 0 H ILE A 66 15.332 -8.537 -7.297 1.00 0.00 H new ATOM 0 HA ILE A 66 17.907 -9.979 -6.603 1.00 0.00 H new ATOM 0 HB ILE A 66 16.497 -9.050 -9.167 1.00 0.00 H new ATOM 0 HG12 ILE A 66 17.326 -11.797 -8.113 1.00 0.00 H new ATOM 0 HG13 ILE A 66 15.685 -11.198 -8.250 1.00 0.00 H new ATOM 0 HG21 ILE A 66 18.464 -9.954 -10.378 1.00 0.00 H new ATOM 0 HG22 ILE A 66 18.935 -8.613 -9.307 1.00 0.00 H new ATOM 0 HG23 ILE A 66 19.264 -10.295 -8.826 1.00 0.00 H new ATOM 0 HD11 ILE A 66 16.253 -12.648 -10.182 1.00 0.00 H new ATOM 0 HD12 ILE A 66 15.957 -10.979 -10.722 1.00 0.00 H new ATOM 0 HD13 ILE A 66 17.624 -11.587 -10.582 1.00 0.00 H new TER 1004 ILE A 66