USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 19:sc= 0.859 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 159:sc= -2.75 (180deg=-4.27!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 110:sc= -1.16 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -4.14! C(o=-5.9!,f=-4.1!) USER MOD Single : A 32 ASN : amide:sc= -0.707 K(o=-0.71,f=-1.4) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0518 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 126:sc= -0.146 (180deg=-0.752) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.646 0.961 -3.219 1.00 31.01 N ATOM 2 CA MET A 1 0.188 0.768 -2.039 1.00 4.24 C ATOM 3 C MET A 1 0.701 -0.666 -1.964 1.00 65.40 C ATOM 4 O MET A 1 0.087 -1.523 -1.329 1.00 33.15 O ATOM 5 CB MET A 1 -0.598 1.108 -0.771 1.00 22.41 C ATOM 6 CG MET A 1 -0.714 2.600 -0.509 1.00 41.52 C ATOM 7 SD MET A 1 -2.289 3.053 0.244 1.00 45.35 S ATOM 8 CE MET A 1 -2.892 4.260 -0.934 1.00 73.04 C ATOM 0 H1 MET A 1 -0.983 1.944 -3.249 1.00 31.01 H new ATOM 0 H2 MET A 1 -0.089 0.760 -4.074 1.00 31.01 H new ATOM 0 H3 MET A 1 -1.461 0.316 -3.177 1.00 31.01 H new ATOM 0 HA MET A 1 1.045 1.438 -2.117 1.00 4.24 H new ATOM 0 HB2 MET A 1 -1.598 0.682 -0.849 1.00 22.41 H new ATOM 0 HB3 MET A 1 -0.115 0.634 0.084 1.00 22.41 H new ATOM 0 HG2 MET A 1 0.100 2.915 0.144 1.00 41.52 H new ATOM 0 HG3 MET A 1 -0.596 3.140 -1.448 1.00 41.52 H new ATOM 0 HE1 MET A 1 -3.862 4.635 -0.607 1.00 73.04 H new ATOM 0 HE2 MET A 1 -2.186 5.088 -1.000 1.00 73.04 H new ATOM 0 HE3 MET A 1 -2.996 3.793 -1.913 1.00 73.04 H new ATOM 18 N ASP A 2 1.830 -0.921 -2.617 1.00 0.02 N ATOM 19 CA ASP A 2 2.426 -2.252 -2.624 1.00 11.04 C ATOM 20 C ASP A 2 3.812 -2.224 -3.260 1.00 51.42 C ATOM 21 O ASP A 2 4.124 -1.334 -4.052 1.00 12.40 O ATOM 22 CB ASP A 2 1.526 -3.233 -3.376 1.00 34.32 C ATOM 23 CG ASP A 2 1.042 -2.676 -4.700 1.00 74.42 C ATOM 24 OD1 ASP A 2 1.886 -2.442 -5.590 1.00 4.43 O ATOM 25 OD2 ASP A 2 -0.182 -2.476 -4.848 1.00 30.35 O ATOM 0 H ASP A 2 2.351 -0.223 -3.148 1.00 0.02 H new ATOM 0 HA ASP A 2 2.527 -2.583 -1.590 1.00 11.04 H new ATOM 0 HB2 ASP A 2 2.072 -4.160 -3.553 1.00 34.32 H new ATOM 0 HB3 ASP A 2 0.666 -3.483 -2.754 1.00 34.32 H new ATOM 30 N ILE A 3 4.639 -3.202 -2.908 1.00 42.01 N ATOM 31 CA ILE A 3 5.991 -3.289 -3.445 1.00 45.41 C ATOM 32 C ILE A 3 5.991 -3.905 -4.840 1.00 54.30 C ATOM 33 O ILE A 3 5.012 -4.527 -5.254 1.00 44.14 O ATOM 34 CB ILE A 3 6.909 -4.120 -2.529 1.00 73.43 C ATOM 35 CG1 ILE A 3 6.560 -3.872 -1.060 1.00 71.24 C ATOM 36 CG2 ILE A 3 8.369 -3.786 -2.797 1.00 15.33 C ATOM 37 CD1 ILE A 3 5.699 -4.957 -0.452 1.00 62.20 C ATOM 0 H ILE A 3 4.396 -3.945 -2.253 1.00 42.01 H new ATOM 0 HA ILE A 3 6.374 -2.270 -3.501 1.00 45.41 H new ATOM 0 HB ILE A 3 6.754 -5.177 -2.746 1.00 73.43 H new ATOM 0 HG12 ILE A 3 7.482 -3.787 -0.485 1.00 71.24 H new ATOM 0 HG13 ILE A 3 6.041 -2.917 -0.974 1.00 71.24 H new ATOM 0 HG21 ILE A 3 9.005 -4.382 -2.142 1.00 15.33 H new ATOM 0 HG22 ILE A 3 8.609 -4.010 -3.837 1.00 15.33 H new ATOM 0 HG23 ILE A 3 8.541 -2.727 -2.605 1.00 15.33 H new ATOM 0 HD11 ILE A 3 5.491 -4.715 0.590 1.00 62.20 H new ATOM 0 HD12 ILE A 3 4.761 -5.028 -1.002 1.00 62.20 H new ATOM 0 HD13 ILE A 3 6.224 -5.911 -0.505 1.00 62.20 H new ATOM 49 N ASP A 4 7.094 -3.729 -5.559 1.00 54.30 N ATOM 50 CA ASP A 4 7.222 -4.270 -6.907 1.00 41.11 C ATOM 51 C ASP A 4 8.687 -4.339 -7.328 1.00 32.14 C ATOM 52 O ASP A 4 9.457 -3.409 -7.088 1.00 0.02 O ATOM 53 CB ASP A 4 6.433 -3.415 -7.900 1.00 43.12 C ATOM 54 CG ASP A 4 5.039 -3.956 -8.150 1.00 43.23 C ATOM 55 OD1 ASP A 4 4.068 -3.183 -8.010 1.00 5.51 O ATOM 56 OD2 ASP A 4 4.919 -5.152 -8.487 1.00 42.04 O ATOM 0 H ASP A 4 7.912 -3.216 -5.231 1.00 54.30 H new ATOM 0 HA ASP A 4 6.815 -5.281 -6.906 1.00 41.11 H new ATOM 0 HB2 ASP A 4 6.361 -2.396 -7.521 1.00 43.12 H new ATOM 0 HB3 ASP A 4 6.975 -3.366 -8.844 1.00 43.12 H new ATOM 61 N PHE A 5 9.065 -5.448 -7.955 1.00 42.31 N ATOM 62 CA PHE A 5 10.438 -5.640 -8.407 1.00 43.43 C ATOM 63 C PHE A 5 10.834 -4.565 -9.416 1.00 73.43 C ATOM 64 O PHE A 5 11.970 -4.091 -9.421 1.00 74.22 O ATOM 65 CB PHE A 5 10.603 -7.027 -9.031 1.00 40.13 C ATOM 66 CG PHE A 5 11.969 -7.266 -9.610 1.00 15.34 C ATOM 67 CD1 PHE A 5 12.127 -7.524 -10.961 1.00 64.35 C ATOM 68 CD2 PHE A 5 13.093 -7.232 -8.801 1.00 62.30 C ATOM 69 CE1 PHE A 5 13.383 -7.744 -11.497 1.00 35.11 C ATOM 70 CE2 PHE A 5 14.351 -7.451 -9.331 1.00 12.12 C ATOM 71 CZ PHE A 5 14.496 -7.708 -10.680 1.00 74.41 C ATOM 0 H PHE A 5 8.440 -6.227 -8.162 1.00 42.31 H new ATOM 0 HA PHE A 5 11.094 -5.559 -7.540 1.00 43.43 H new ATOM 0 HB2 PHE A 5 10.401 -7.784 -8.273 1.00 40.13 H new ATOM 0 HB3 PHE A 5 9.857 -7.155 -9.816 1.00 40.13 H new ATOM 0 HD1 PHE A 5 11.260 -7.554 -11.604 1.00 64.35 H new ATOM 0 HD2 PHE A 5 12.985 -7.032 -7.745 1.00 62.30 H new ATOM 0 HE1 PHE A 5 13.493 -7.944 -12.553 1.00 35.11 H new ATOM 0 HE2 PHE A 5 15.220 -7.421 -8.690 1.00 12.12 H new ATOM 0 HZ PHE A 5 15.478 -7.881 -11.095 1.00 74.41 H new ATOM 81 N SER A 6 9.888 -4.187 -10.270 1.00 52.00 N ATOM 82 CA SER A 6 10.138 -3.172 -11.287 1.00 75.31 C ATOM 83 C SER A 6 9.748 -1.787 -10.780 1.00 34.22 C ATOM 84 O SER A 6 8.571 -1.506 -10.548 1.00 3.24 O ATOM 85 CB SER A 6 9.360 -3.498 -12.564 1.00 2.30 C ATOM 86 OG SER A 6 7.963 -3.400 -12.349 1.00 51.14 O ATOM 0 H SER A 6 8.942 -4.568 -10.278 1.00 52.00 H new ATOM 0 HA SER A 6 11.205 -3.171 -11.510 1.00 75.31 H new ATOM 0 HB2 SER A 6 9.658 -2.815 -13.359 1.00 2.30 H new ATOM 0 HB3 SER A 6 9.610 -4.505 -12.899 1.00 2.30 H new ATOM 0 HG SER A 6 7.792 -2.869 -11.543 1.00 51.14 H new ATOM 92 N THR A 7 10.744 -0.924 -10.609 1.00 42.05 N ATOM 93 CA THR A 7 10.508 0.431 -10.129 1.00 14.42 C ATOM 94 C THR A 7 11.487 1.416 -10.757 1.00 55.45 C ATOM 95 O THR A 7 11.633 2.546 -10.290 1.00 1.04 O ATOM 96 CB THR A 7 10.629 0.513 -8.595 1.00 73.24 C ATOM 97 OG1 THR A 7 11.450 -0.555 -8.111 1.00 63.54 O ATOM 98 CG2 THR A 7 9.258 0.442 -7.940 1.00 32.12 C ATOM 0 H THR A 7 11.723 -1.140 -10.796 1.00 42.05 H new ATOM 0 HA THR A 7 9.492 0.696 -10.421 1.00 14.42 H new ATOM 0 HB THR A 7 11.088 1.468 -8.339 1.00 73.24 H new ATOM 0 HG1 THR A 7 11.523 -0.495 -7.136 1.00 63.54 H new ATOM 0 HG21 THR A 7 9.369 0.502 -6.857 1.00 32.12 H new ATOM 0 HG22 THR A 7 8.645 1.273 -8.289 1.00 32.12 H new ATOM 0 HG23 THR A 7 8.777 -0.500 -8.204 1.00 32.12 H new ATOM 106 N CYS A 8 12.155 0.982 -11.821 1.00 13.22 N ATOM 107 CA CYS A 8 13.120 1.826 -12.515 1.00 22.32 C ATOM 108 C CYS A 8 12.960 1.705 -14.028 1.00 32.15 C ATOM 109 O CYS A 8 12.448 0.705 -14.530 1.00 13.02 O ATOM 110 CB CYS A 8 14.546 1.445 -12.110 1.00 74.40 C ATOM 111 SG CYS A 8 15.778 2.754 -12.405 1.00 75.33 S ATOM 0 H CYS A 8 12.045 0.050 -12.221 1.00 13.22 H new ATOM 0 HA CYS A 8 12.932 2.861 -12.229 1.00 22.32 H new ATOM 0 HB2 CYS A 8 14.554 1.185 -11.051 1.00 74.40 H new ATOM 0 HB3 CYS A 8 14.842 0.552 -12.660 1.00 74.40 H new ATOM 116 N ALA A 9 13.402 2.731 -14.748 1.00 34.14 N ATOM 117 CA ALA A 9 13.310 2.739 -16.202 1.00 55.12 C ATOM 118 C ALA A 9 14.293 1.751 -16.820 1.00 72.12 C ATOM 119 O ALA A 9 14.197 1.423 -18.003 1.00 43.20 O ATOM 120 CB ALA A 9 13.559 4.141 -16.739 1.00 24.21 C ATOM 0 H ALA A 9 13.827 3.567 -14.348 1.00 34.14 H new ATOM 0 HA ALA A 9 12.302 2.429 -16.479 1.00 55.12 H new ATOM 0 HB1 ALA A 9 13.487 4.132 -17.827 1.00 24.21 H new ATOM 0 HB2 ALA A 9 12.814 4.824 -16.332 1.00 24.21 H new ATOM 0 HB3 ALA A 9 14.555 4.472 -16.444 1.00 24.21 H new ATOM 126 N ARG A 10 15.238 1.280 -16.013 1.00 14.12 N ATOM 127 CA ARG A 10 16.240 0.331 -16.481 1.00 72.35 C ATOM 128 C ARG A 10 15.791 -1.105 -16.224 1.00 51.13 C ATOM 129 O ARG A 10 16.615 -2.010 -16.101 1.00 30.51 O ATOM 130 CB ARG A 10 17.580 0.589 -15.791 1.00 21.32 C ATOM 131 CG ARG A 10 18.000 2.050 -15.802 1.00 71.51 C ATOM 132 CD ARG A 10 18.187 2.564 -17.221 1.00 12.42 C ATOM 133 NE ARG A 10 19.512 3.144 -17.422 1.00 50.05 N ATOM 134 CZ ARG A 10 20.002 3.459 -18.616 1.00 43.21 C ATOM 135 NH1 ARG A 10 19.280 3.252 -19.709 1.00 4.12 N ATOM 136 NH2 ARG A 10 21.217 3.983 -18.718 1.00 41.25 N ATOM 0 H ARG A 10 15.330 1.541 -15.031 1.00 14.12 H new ATOM 0 HA ARG A 10 16.360 0.469 -17.555 1.00 72.35 H new ATOM 0 HB2 ARG A 10 17.519 0.245 -14.758 1.00 21.32 H new ATOM 0 HB3 ARG A 10 18.351 -0.006 -16.280 1.00 21.32 H new ATOM 0 HG2 ARG A 10 17.246 2.650 -15.292 1.00 71.51 H new ATOM 0 HG3 ARG A 10 18.930 2.167 -15.246 1.00 71.51 H new ATOM 0 HD2 ARG A 10 18.039 1.746 -17.926 1.00 12.42 H new ATOM 0 HD3 ARG A 10 17.426 3.314 -17.438 1.00 12.42 H new ATOM 0 HE ARG A 10 20.093 3.317 -16.601 1.00 50.05 H new ATOM 0 HH11 ARG A 10 18.346 2.850 -19.634 1.00 4.12 H new ATOM 0 HH12 ARG A 10 19.659 3.495 -20.624 1.00 4.12 H new ATOM 0 HH21 ARG A 10 21.775 4.144 -17.879 1.00 41.25 H new ATOM 0 HH22 ARG A 10 21.593 4.225 -19.635 1.00 41.25 H new ATOM 150 N MET A 11 14.479 -1.304 -16.144 1.00 43.12 N ATOM 151 CA MET A 11 13.921 -2.629 -15.902 1.00 63.33 C ATOM 152 C MET A 11 13.838 -3.429 -17.199 1.00 25.24 C ATOM 153 O MET A 11 14.601 -4.374 -17.406 1.00 14.41 O ATOM 154 CB MET A 11 12.533 -2.514 -15.271 1.00 34.01 C ATOM 155 CG MET A 11 12.475 -3.009 -13.835 1.00 10.22 C ATOM 156 SD MET A 11 12.272 -4.797 -13.724 1.00 3.02 S ATOM 157 CE MET A 11 13.957 -5.346 -13.984 1.00 43.53 C ATOM 0 H MET A 11 13.783 -0.565 -16.243 1.00 43.12 H new ATOM 0 HA MET A 11 14.583 -3.154 -15.213 1.00 63.33 H new ATOM 0 HB2 MET A 11 12.215 -1.472 -15.301 1.00 34.01 H new ATOM 0 HB3 MET A 11 11.822 -3.082 -15.871 1.00 34.01 H new ATOM 0 HG2 MET A 11 13.389 -2.718 -13.317 1.00 10.22 H new ATOM 0 HG3 MET A 11 11.648 -2.521 -13.320 1.00 10.22 H new ATOM 0 HE1 MET A 11 14.077 -6.354 -13.587 1.00 43.53 H new ATOM 0 HE2 MET A 11 14.179 -5.348 -15.051 1.00 43.53 H new ATOM 0 HE3 MET A 11 14.643 -4.671 -13.472 1.00 43.53 H new ATOM 167 N ASP A 12 12.909 -3.045 -18.067 1.00 22.42 N ATOM 168 CA ASP A 12 12.728 -3.727 -19.343 1.00 53.44 C ATOM 169 C ASP A 12 12.050 -2.810 -20.357 1.00 45.32 C ATOM 170 O ASP A 12 12.397 -2.810 -21.539 1.00 10.45 O ATOM 171 CB ASP A 12 11.899 -4.998 -19.154 1.00 20.11 C ATOM 172 CG ASP A 12 12.431 -6.162 -19.966 1.00 62.41 C ATOM 173 OD1 ASP A 12 12.875 -5.934 -21.111 1.00 41.21 O ATOM 174 OD2 ASP A 12 12.405 -7.302 -19.457 1.00 15.04 O ATOM 0 H ASP A 12 12.270 -2.266 -17.911 1.00 22.42 H new ATOM 0 HA ASP A 12 13.712 -3.998 -19.725 1.00 53.44 H new ATOM 0 HB2 ASP A 12 11.890 -5.269 -18.098 1.00 20.11 H new ATOM 0 HB3 ASP A 12 10.866 -4.801 -19.441 1.00 20.11 H new ATOM 179 N VAL A 13 11.082 -2.030 -19.888 1.00 0.54 N ATOM 180 CA VAL A 13 10.356 -1.108 -20.753 1.00 12.42 C ATOM 181 C VAL A 13 10.695 0.341 -20.420 1.00 32.03 C ATOM 182 O VAL A 13 9.948 1.037 -19.732 1.00 31.14 O ATOM 183 CB VAL A 13 8.833 -1.308 -20.634 1.00 3.53 C ATOM 184 CG1 VAL A 13 8.402 -2.572 -21.362 1.00 10.54 C ATOM 185 CG2 VAL A 13 8.415 -1.355 -19.172 1.00 24.43 C ATOM 0 H VAL A 13 10.782 -2.018 -18.913 1.00 0.54 H new ATOM 0 HA VAL A 13 10.665 -1.324 -21.776 1.00 12.42 H new ATOM 0 HB VAL A 13 8.334 -0.460 -21.103 1.00 3.53 H new ATOM 0 HG11 VAL A 13 7.323 -2.697 -21.267 1.00 10.54 H new ATOM 0 HG12 VAL A 13 8.667 -2.493 -22.416 1.00 10.54 H new ATOM 0 HG13 VAL A 13 8.907 -3.434 -20.925 1.00 10.54 H new ATOM 0 HG21 VAL A 13 7.336 -1.497 -19.106 1.00 24.43 H new ATOM 0 HG22 VAL A 13 8.921 -2.183 -18.675 1.00 24.43 H new ATOM 0 HG23 VAL A 13 8.688 -0.419 -18.685 1.00 24.43 H new ATOM 195 N PRO A 14 11.848 0.809 -20.919 1.00 65.52 N ATOM 196 CA PRO A 14 12.313 2.180 -20.689 1.00 31.33 C ATOM 197 C PRO A 14 11.463 3.211 -21.424 1.00 23.31 C ATOM 198 O PRO A 14 11.621 4.415 -21.223 1.00 13.33 O ATOM 199 CB PRO A 14 13.740 2.169 -21.243 1.00 75.14 C ATOM 200 CG PRO A 14 13.743 1.078 -22.258 1.00 3.10 C ATOM 201 CD PRO A 14 12.788 0.035 -21.748 1.00 22.32 C ATOM 0 HA PRO A 14 12.252 2.460 -19.637 1.00 31.33 H new ATOM 0 HB2 PRO A 14 13.998 3.128 -21.692 1.00 75.14 H new ATOM 0 HB3 PRO A 14 14.469 1.979 -20.455 1.00 75.14 H new ATOM 0 HG2 PRO A 14 13.429 1.451 -23.233 1.00 3.10 H new ATOM 0 HG3 PRO A 14 14.743 0.664 -22.382 1.00 3.10 H new ATOM 0 HD2 PRO A 14 12.277 -0.476 -22.564 1.00 22.32 H new ATOM 0 HD3 PRO A 14 13.302 -0.730 -21.165 1.00 22.32 H new ATOM 209 N ILE A 15 10.563 2.730 -22.275 1.00 44.33 N ATOM 210 CA ILE A 15 9.688 3.611 -23.039 1.00 3.23 C ATOM 211 C ILE A 15 8.993 4.618 -22.129 1.00 52.21 C ATOM 212 O ILE A 15 8.688 5.738 -22.542 1.00 62.03 O ATOM 213 CB ILE A 15 8.622 2.813 -23.812 1.00 41.22 C ATOM 214 CG1 ILE A 15 9.288 1.775 -24.718 1.00 41.31 C ATOM 215 CG2 ILE A 15 7.746 3.752 -24.628 1.00 42.12 C ATOM 216 CD1 ILE A 15 10.244 2.376 -25.724 1.00 41.35 C ATOM 0 H ILE A 15 10.421 1.736 -22.453 1.00 44.33 H new ATOM 0 HA ILE A 15 10.319 4.143 -23.751 1.00 3.23 H new ATOM 0 HB ILE A 15 7.990 2.289 -23.095 1.00 41.22 H new ATOM 0 HG12 ILE A 15 9.828 1.058 -24.100 1.00 41.31 H new ATOM 0 HG13 ILE A 15 8.515 1.220 -25.250 1.00 41.31 H new ATOM 0 HG21 ILE A 15 6.997 3.173 -25.169 1.00 42.12 H new ATOM 0 HG22 ILE A 15 7.248 4.456 -23.962 1.00 42.12 H new ATOM 0 HG23 ILE A 15 8.364 4.300 -25.339 1.00 42.12 H new ATOM 0 HD11 ILE A 15 10.679 1.583 -26.332 1.00 41.35 H new ATOM 0 HD12 ILE A 15 9.705 3.072 -26.367 1.00 41.35 H new ATOM 0 HD13 ILE A 15 11.038 2.907 -25.199 1.00 41.35 H new ATOM 228 N LEU A 16 8.745 4.214 -20.888 1.00 64.21 N ATOM 229 CA LEU A 16 8.087 5.081 -19.918 1.00 2.45 C ATOM 230 C LEU A 16 9.011 5.382 -18.741 1.00 52.15 C ATOM 231 O LEU A 16 8.702 5.055 -17.596 1.00 32.25 O ATOM 232 CB LEU A 16 6.798 4.431 -19.414 1.00 75.44 C ATOM 233 CG LEU A 16 5.943 3.730 -20.471 1.00 71.21 C ATOM 234 CD1 LEU A 16 6.011 2.220 -20.298 1.00 2.54 C ATOM 235 CD2 LEU A 16 4.502 4.212 -20.397 1.00 55.31 C ATOM 0 H LEU A 16 8.990 3.291 -20.530 1.00 64.21 H new ATOM 0 HA LEU A 16 7.843 6.020 -20.415 1.00 2.45 H new ATOM 0 HB2 LEU A 16 7.058 3.704 -18.645 1.00 75.44 H new ATOM 0 HB3 LEU A 16 6.191 5.199 -18.935 1.00 75.44 H new ATOM 0 HG LEU A 16 6.339 3.981 -21.455 1.00 71.21 H new ATOM 0 HD11 LEU A 16 5.397 1.739 -21.059 1.00 2.54 H new ATOM 0 HD12 LEU A 16 7.044 1.888 -20.402 1.00 2.54 H new ATOM 0 HD13 LEU A 16 5.641 1.950 -19.309 1.00 2.54 H new ATOM 0 HD21 LEU A 16 3.909 3.703 -21.156 1.00 55.31 H new ATOM 0 HD22 LEU A 16 4.095 3.992 -19.410 1.00 55.31 H new ATOM 0 HD23 LEU A 16 4.469 5.287 -20.572 1.00 55.31 H new ATOM 247 N LYS A 17 10.145 6.009 -19.032 1.00 44.54 N ATOM 248 CA LYS A 17 11.114 6.359 -18.000 1.00 33.43 C ATOM 249 C LYS A 17 10.470 7.224 -16.921 1.00 5.21 C ATOM 250 O LYS A 17 10.671 6.998 -15.727 1.00 51.14 O ATOM 251 CB LYS A 17 12.305 7.095 -18.617 1.00 11.24 C ATOM 252 CG LYS A 17 13.231 6.194 -19.415 1.00 33.54 C ATOM 253 CD LYS A 17 13.386 6.680 -20.846 1.00 10.24 C ATOM 254 CE LYS A 17 14.241 5.729 -21.668 1.00 65.21 C ATOM 255 NZ LYS A 17 15.342 6.442 -22.374 1.00 20.21 N ATOM 0 H LYS A 17 10.416 6.286 -19.975 1.00 44.54 H new ATOM 0 HA LYS A 17 11.466 5.436 -17.539 1.00 33.43 H new ATOM 0 HB2 LYS A 17 11.934 7.888 -19.267 1.00 11.24 H new ATOM 0 HB3 LYS A 17 12.876 7.575 -17.822 1.00 11.24 H new ATOM 0 HG2 LYS A 17 14.209 6.158 -18.934 1.00 33.54 H new ATOM 0 HG3 LYS A 17 12.839 5.177 -19.416 1.00 33.54 H new ATOM 0 HD2 LYS A 17 12.403 6.778 -21.307 1.00 10.24 H new ATOM 0 HD3 LYS A 17 13.839 7.672 -20.848 1.00 10.24 H new ATOM 0 HE2 LYS A 17 14.663 4.964 -21.016 1.00 65.21 H new ATOM 0 HE3 LYS A 17 13.614 5.216 -22.397 1.00 65.21 H new ATOM 0 HZ1 LYS A 17 15.902 5.759 -22.923 1.00 20.21 H new ATOM 0 HZ2 LYS A 17 14.939 7.155 -23.015 1.00 20.21 H new ATOM 0 HZ3 LYS A 17 15.955 6.911 -21.677 1.00 20.21 H new ATOM 269 N LYS A 18 9.696 8.215 -17.348 1.00 55.32 N ATOM 270 CA LYS A 18 9.020 9.114 -16.419 1.00 71.35 C ATOM 271 C LYS A 18 8.135 8.332 -15.453 1.00 42.52 C ATOM 272 O LYS A 18 8.025 8.681 -14.278 1.00 61.20 O ATOM 273 CB LYS A 18 8.177 10.135 -17.187 1.00 62.43 C ATOM 274 CG LYS A 18 8.826 11.504 -17.290 1.00 51.24 C ATOM 275 CD LYS A 18 8.136 12.517 -16.391 1.00 64.25 C ATOM 276 CE LYS A 18 8.625 12.411 -14.955 1.00 64.01 C ATOM 277 NZ LYS A 18 9.690 13.408 -14.657 1.00 4.22 N ATOM 0 H LYS A 18 9.521 8.417 -18.332 1.00 55.32 H new ATOM 0 HA LYS A 18 9.781 9.640 -15.843 1.00 71.35 H new ATOM 0 HB2 LYS A 18 7.987 9.755 -18.191 1.00 62.43 H new ATOM 0 HB3 LYS A 18 7.209 10.237 -16.697 1.00 62.43 H new ATOM 0 HG2 LYS A 18 9.878 11.430 -17.016 1.00 51.24 H new ATOM 0 HG3 LYS A 18 8.789 11.848 -18.323 1.00 51.24 H new ATOM 0 HD2 LYS A 18 8.321 13.524 -16.766 1.00 64.25 H new ATOM 0 HD3 LYS A 18 7.058 12.358 -16.422 1.00 64.25 H new ATOM 0 HE2 LYS A 18 7.787 12.560 -14.274 1.00 64.01 H new ATOM 0 HE3 LYS A 18 9.007 11.406 -14.775 1.00 64.01 H new ATOM 0 HZ1 LYS A 18 9.997 13.303 -13.669 1.00 4.22 H new ATOM 0 HZ2 LYS A 18 10.500 13.250 -15.290 1.00 4.22 H new ATOM 0 HZ3 LYS A 18 9.318 14.368 -14.804 1.00 4.22 H new ATOM 291 N ALA A 19 7.508 7.274 -15.956 1.00 51.30 N ATOM 292 CA ALA A 19 6.636 6.442 -15.136 1.00 42.12 C ATOM 293 C ALA A 19 7.443 5.623 -14.134 1.00 14.53 C ATOM 294 O ALA A 19 7.096 5.552 -12.955 1.00 70.31 O ATOM 295 CB ALA A 19 5.800 5.526 -16.017 1.00 53.01 C ATOM 0 H ALA A 19 7.588 6.973 -16.927 1.00 51.30 H new ATOM 0 HA ALA A 19 5.969 7.098 -14.577 1.00 42.12 H new ATOM 0 HB1 ALA A 19 5.153 4.910 -15.392 1.00 53.01 H new ATOM 0 HB2 ALA A 19 5.188 6.127 -16.690 1.00 53.01 H new ATOM 0 HB3 ALA A 19 6.458 4.883 -16.602 1.00 53.01 H new ATOM 301 N ALA A 20 8.519 5.007 -14.610 1.00 44.20 N ATOM 302 CA ALA A 20 9.375 4.195 -13.755 1.00 25.42 C ATOM 303 C ALA A 20 10.037 5.044 -12.675 1.00 21.23 C ATOM 304 O ALA A 20 10.055 4.669 -11.503 1.00 31.23 O ATOM 305 CB ALA A 20 10.430 3.482 -14.588 1.00 61.22 C ATOM 0 H ALA A 20 8.819 5.055 -15.584 1.00 44.20 H new ATOM 0 HA ALA A 20 8.751 3.449 -13.263 1.00 25.42 H new ATOM 0 HB1 ALA A 20 11.062 2.879 -13.936 1.00 61.22 H new ATOM 0 HB2 ALA A 20 9.942 2.836 -15.318 1.00 61.22 H new ATOM 0 HB3 ALA A 20 11.043 4.219 -15.107 1.00 61.22 H new ATOM 311 N GLN A 21 10.580 6.188 -13.078 1.00 30.02 N ATOM 312 CA GLN A 21 11.244 7.089 -12.143 1.00 70.12 C ATOM 313 C GLN A 21 10.243 7.691 -11.163 1.00 33.11 C ATOM 314 O GLN A 21 10.585 8.001 -10.023 1.00 31.15 O ATOM 315 CB GLN A 21 11.966 8.204 -12.902 1.00 72.33 C ATOM 316 CG GLN A 21 13.472 8.012 -12.977 1.00 50.23 C ATOM 317 CD GLN A 21 14.114 8.856 -14.061 1.00 23.04 C ATOM 318 OE1 GLN A 21 13.845 8.672 -15.248 1.00 41.51 O ATOM 319 NE2 GLN A 21 14.969 9.788 -13.656 1.00 44.14 N ATOM 0 H GLN A 21 10.573 6.513 -14.045 1.00 30.02 H new ATOM 0 HA GLN A 21 11.975 6.511 -11.578 1.00 70.12 H new ATOM 0 HB2 GLN A 21 11.565 8.262 -13.914 1.00 72.33 H new ATOM 0 HB3 GLN A 21 11.753 9.158 -12.419 1.00 72.33 H new ATOM 0 HG2 GLN A 21 13.915 8.265 -12.014 1.00 50.23 H new ATOM 0 HG3 GLN A 21 13.692 6.961 -13.162 1.00 50.23 H new ATOM 0 HE21 GLN A 21 15.162 9.905 -12.661 1.00 44.14 H new ATOM 0 HE22 GLN A 21 15.433 10.386 -14.340 1.00 44.14 H new ATOM 328 N GLY A 22 9.003 7.854 -11.616 1.00 2.04 N ATOM 329 CA GLY A 22 7.971 8.419 -10.766 1.00 24.12 C ATOM 330 C GLY A 22 7.816 7.663 -9.461 1.00 62.44 C ATOM 331 O GLY A 22 7.426 8.237 -8.444 1.00 41.42 O ATOM 0 H GLY A 22 8.695 7.605 -12.556 1.00 2.04 H new ATOM 0 HA2 GLY A 22 8.211 9.461 -10.553 1.00 24.12 H new ATOM 0 HA3 GLY A 22 7.021 8.413 -11.301 1.00 24.12 H new ATOM 335 N LEU A 23 8.120 6.370 -9.489 1.00 62.34 N ATOM 336 CA LEU A 23 8.011 5.532 -8.300 1.00 51.10 C ATOM 337 C LEU A 23 9.130 5.842 -7.311 1.00 13.52 C ATOM 338 O LEU A 23 9.246 5.200 -6.267 1.00 13.24 O ATOM 339 CB LEU A 23 8.054 4.053 -8.688 1.00 55.11 C ATOM 340 CG LEU A 23 7.090 3.621 -9.794 1.00 14.23 C ATOM 341 CD1 LEU A 23 7.037 2.105 -9.894 1.00 30.44 C ATOM 342 CD2 LEU A 23 5.701 4.190 -9.542 1.00 74.53 C ATOM 0 H LEU A 23 8.444 5.879 -10.322 1.00 62.34 H new ATOM 0 HA LEU A 23 7.056 5.748 -7.820 1.00 51.10 H new ATOM 0 HB2 LEU A 23 9.069 3.810 -9.003 1.00 55.11 H new ATOM 0 HB3 LEU A 23 7.845 3.458 -7.799 1.00 55.11 H new ATOM 0 HG LEU A 23 7.456 4.014 -10.743 1.00 14.23 H new ATOM 0 HD11 LEU A 23 6.346 1.817 -10.686 1.00 30.44 H new ATOM 0 HD12 LEU A 23 8.031 1.720 -10.122 1.00 30.44 H new ATOM 0 HD13 LEU A 23 6.696 1.690 -8.946 1.00 30.44 H new ATOM 0 HD21 LEU A 23 5.028 3.873 -10.338 1.00 74.53 H new ATOM 0 HD22 LEU A 23 5.327 3.827 -8.585 1.00 74.53 H new ATOM 0 HD23 LEU A 23 5.752 5.279 -9.522 1.00 74.53 H new ATOM 354 N CYS A 24 9.950 6.833 -7.645 1.00 63.32 N ATOM 355 CA CYS A 24 11.059 7.231 -6.786 1.00 62.45 C ATOM 356 C CYS A 24 10.934 8.696 -6.380 1.00 51.35 C ATOM 357 O CYS A 24 10.984 9.029 -5.196 1.00 44.20 O ATOM 358 CB CYS A 24 12.393 7.000 -7.500 1.00 74.02 C ATOM 359 SG CYS A 24 13.516 5.863 -6.627 1.00 63.41 S ATOM 0 H CYS A 24 9.867 7.375 -8.505 1.00 63.32 H new ATOM 0 HA CYS A 24 11.026 6.619 -5.885 1.00 62.45 H new ATOM 0 HB2 CYS A 24 12.196 6.605 -8.497 1.00 74.02 H new ATOM 0 HB3 CYS A 24 12.894 7.959 -7.631 1.00 74.02 H new ATOM 364 N ILE A 25 10.770 9.567 -7.371 1.00 22.22 N ATOM 365 CA ILE A 25 10.636 10.996 -7.117 1.00 23.22 C ATOM 366 C ILE A 25 9.346 11.302 -6.364 1.00 21.23 C ATOM 367 O ILE A 25 9.349 12.040 -5.378 1.00 51.10 O ATOM 368 CB ILE A 25 10.657 11.805 -8.427 1.00 72.12 C ATOM 369 CG1 ILE A 25 11.971 11.571 -9.176 1.00 14.32 C ATOM 370 CG2 ILE A 25 10.461 13.286 -8.138 1.00 65.24 C ATOM 371 CD1 ILE A 25 11.886 10.478 -10.217 1.00 64.44 C ATOM 0 H ILE A 25 10.727 9.308 -8.357 1.00 22.22 H new ATOM 0 HA ILE A 25 11.489 11.289 -6.505 1.00 23.22 H new ATOM 0 HB ILE A 25 9.836 11.467 -9.059 1.00 72.12 H new ATOM 0 HG12 ILE A 25 12.275 12.499 -9.660 1.00 14.32 H new ATOM 0 HG13 ILE A 25 12.750 11.317 -8.457 1.00 14.32 H new ATOM 0 HG21 ILE A 25 10.478 13.845 -9.074 1.00 65.24 H new ATOM 0 HG22 ILE A 25 9.501 13.436 -7.643 1.00 65.24 H new ATOM 0 HG23 ILE A 25 11.263 13.639 -7.490 1.00 65.24 H new ATOM 0 HD11 ILE A 25 12.853 10.367 -10.708 1.00 64.44 H new ATOM 0 HD12 ILE A 25 11.613 9.538 -9.737 1.00 64.44 H new ATOM 0 HD13 ILE A 25 11.131 10.739 -10.958 1.00 64.44 H new ATOM 383 N THR A 26 8.243 10.728 -6.833 1.00 73.33 N ATOM 384 CA THR A 26 6.945 10.938 -6.205 1.00 32.14 C ATOM 385 C THR A 26 6.823 10.136 -4.914 1.00 32.00 C ATOM 386 O THR A 26 6.238 10.601 -3.936 1.00 12.11 O ATOM 387 CB THR A 26 5.793 10.547 -7.149 1.00 71.15 C ATOM 388 OG1 THR A 26 5.069 11.716 -7.550 1.00 23.13 O ATOM 389 CG2 THR A 26 4.847 9.566 -6.473 1.00 24.21 C ATOM 0 H THR A 26 8.223 10.113 -7.647 1.00 73.33 H new ATOM 0 HA THR A 26 6.873 12.002 -5.978 1.00 32.14 H new ATOM 0 HB THR A 26 6.222 10.066 -8.028 1.00 71.15 H new ATOM 0 HG1 THR A 26 4.339 11.459 -8.151 1.00 23.13 H new ATOM 0 HG21 THR A 26 4.042 9.305 -7.160 1.00 24.21 H new ATOM 0 HG22 THR A 26 5.394 8.665 -6.196 1.00 24.21 H new ATOM 0 HG23 THR A 26 4.426 10.024 -5.578 1.00 24.21 H new ATOM 397 N SER A 27 7.379 8.929 -4.918 1.00 22.21 N ATOM 398 CA SER A 27 7.330 8.061 -3.747 1.00 73.54 C ATOM 399 C SER A 27 8.008 8.722 -2.552 1.00 25.54 C ATOM 400 O SER A 27 7.633 8.488 -1.402 1.00 64.43 O ATOM 401 CB SER A 27 8.001 6.720 -4.052 1.00 74.31 C ATOM 402 OG SER A 27 7.442 5.680 -3.267 1.00 43.24 O ATOM 0 H SER A 27 7.869 8.530 -5.719 1.00 22.21 H new ATOM 0 HA SER A 27 6.283 7.887 -3.498 1.00 73.54 H new ATOM 0 HB2 SER A 27 7.885 6.484 -5.110 1.00 74.31 H new ATOM 0 HB3 SER A 27 9.071 6.792 -3.857 1.00 74.31 H new ATOM 0 HG SER A 27 6.921 5.081 -3.841 1.00 43.24 H new ATOM 408 N CYS A 28 9.010 9.549 -2.831 1.00 23.43 N ATOM 409 CA CYS A 28 9.743 10.244 -1.780 1.00 45.41 C ATOM 410 C CYS A 28 8.903 11.370 -1.184 1.00 32.22 C ATOM 411 O CYS A 28 8.863 11.551 0.033 1.00 35.31 O ATOM 412 CB CYS A 28 11.054 10.809 -2.332 1.00 12.30 C ATOM 413 SG CYS A 28 12.539 10.255 -1.435 1.00 20.33 S ATOM 0 H CYS A 28 9.333 9.754 -3.777 1.00 23.43 H new ATOM 0 HA CYS A 28 9.967 9.525 -0.992 1.00 45.41 H new ATOM 0 HB2 CYS A 28 11.148 10.523 -3.380 1.00 12.30 H new ATOM 0 HB3 CYS A 28 11.009 11.898 -2.302 1.00 12.30 H new ATOM 418 N SER A 29 8.233 12.123 -2.050 1.00 74.01 N ATOM 419 CA SER A 29 7.395 13.233 -1.610 1.00 64.12 C ATOM 420 C SER A 29 6.350 12.760 -0.605 1.00 32.41 C ATOM 421 O SER A 29 5.954 13.503 0.292 1.00 51.52 O ATOM 422 CB SER A 29 6.707 13.887 -2.810 1.00 32.42 C ATOM 423 OG SER A 29 6.485 15.267 -2.580 1.00 54.23 O ATOM 0 H SER A 29 8.254 11.985 -3.060 1.00 74.01 H new ATOM 0 HA SER A 29 8.035 13.968 -1.122 1.00 64.12 H new ATOM 0 HB2 SER A 29 7.322 13.758 -3.701 1.00 32.42 H new ATOM 0 HB3 SER A 29 5.757 13.390 -3.004 1.00 32.42 H new ATOM 0 HG SER A 29 6.046 15.662 -3.362 1.00 54.23 H new ATOM 429 N MET A 30 5.907 11.516 -0.762 1.00 41.44 N ATOM 430 CA MET A 30 4.908 10.942 0.132 1.00 43.42 C ATOM 431 C MET A 30 5.509 10.655 1.504 1.00 35.43 C ATOM 432 O MET A 30 4.784 10.452 2.478 1.00 54.11 O ATOM 433 CB MET A 30 4.336 9.656 -0.467 1.00 55.31 C ATOM 434 CG MET A 30 4.077 9.745 -1.962 1.00 61.24 C ATOM 435 SD MET A 30 2.474 9.065 -2.432 1.00 2.54 S ATOM 436 CE MET A 30 1.428 10.508 -2.247 1.00 62.34 C ATOM 0 H MET A 30 6.224 10.887 -1.500 1.00 41.44 H new ATOM 0 HA MET A 30 4.103 11.667 0.252 1.00 43.42 H new ATOM 0 HB2 MET A 30 5.028 8.836 -0.275 1.00 55.31 H new ATOM 0 HB3 MET A 30 3.403 9.412 0.041 1.00 55.31 H new ATOM 0 HG2 MET A 30 4.130 10.788 -2.274 1.00 61.24 H new ATOM 0 HG3 MET A 30 4.864 9.212 -2.495 1.00 61.24 H new ATOM 0 HE1 MET A 30 0.401 10.248 -2.502 1.00 62.34 H new ATOM 0 HE2 MET A 30 1.468 10.857 -1.215 1.00 62.34 H new ATOM 0 HE3 MET A 30 1.778 11.299 -2.911 1.00 62.34 H new ATOM 446 N GLN A 31 6.836 10.638 1.573 1.00 32.01 N ATOM 447 CA GLN A 31 7.532 10.374 2.827 1.00 71.22 C ATOM 448 C GLN A 31 8.181 11.644 3.367 1.00 62.31 C ATOM 449 O GLN A 31 9.085 11.584 4.200 1.00 55.31 O ATOM 450 CB GLN A 31 8.592 9.290 2.627 1.00 25.20 C ATOM 451 CG GLN A 31 8.242 8.289 1.537 1.00 2.34 C ATOM 452 CD GLN A 31 8.483 6.854 1.963 1.00 11.42 C ATOM 453 OE1 GLN A 31 9.355 6.161 1.241 1.00 3.25 O flip ATOM 454 NE2 GLN A 31 7.891 6.374 2.930 1.00 22.22 N flip ATOM 0 H GLN A 31 7.451 10.804 0.776 1.00 32.01 H new ATOM 0 HA GLN A 31 6.799 10.025 3.555 1.00 71.22 H new ATOM 0 HB2 GLN A 31 9.542 9.764 2.382 1.00 25.20 H new ATOM 0 HB3 GLN A 31 8.735 8.756 3.566 1.00 25.20 H new ATOM 0 HG2 GLN A 31 7.195 8.411 1.260 1.00 2.34 H new ATOM 0 HG3 GLN A 31 8.834 8.504 0.648 1.00 2.34 H new ATOM 0 HE21 GLN A 31 7.229 6.944 3.457 1.00 22.22 H new ATOM 0 HE22 GLN A 31 8.063 5.407 3.204 1.00 22.22 H new ATOM 463 N ASN A 32 7.715 12.792 2.886 1.00 34.52 N ATOM 464 CA ASN A 32 8.251 14.076 3.320 1.00 11.44 C ATOM 465 C ASN A 32 9.704 14.235 2.884 1.00 61.14 C ATOM 466 O ASN A 32 10.523 14.804 3.606 1.00 14.42 O ATOM 467 CB ASN A 32 8.146 14.208 4.841 1.00 4.51 C ATOM 468 CG ASN A 32 6.852 13.633 5.384 1.00 44.51 C ATOM 469 OD1 ASN A 32 6.792 12.465 5.766 1.00 34.21 O ATOM 470 ND2 ASN A 32 5.809 14.455 5.420 1.00 64.44 N ATOM 0 H ASN A 32 6.967 12.859 2.195 1.00 34.52 H new ATOM 0 HA ASN A 32 7.662 14.864 2.852 1.00 11.44 H new ATOM 0 HB2 ASN A 32 8.990 13.699 5.306 1.00 4.51 H new ATOM 0 HB3 ASN A 32 8.217 15.260 5.117 1.00 4.51 H new ATOM 0 HD21 ASN A 32 4.912 14.125 5.775 1.00 64.44 H new ATOM 0 HD22 ASN A 32 5.906 15.416 5.092 1.00 64.44 H new ATOM 477 N CYS A 33 10.018 13.728 1.696 1.00 31.32 N ATOM 478 CA CYS A 33 11.372 13.812 1.162 1.00 54.35 C ATOM 479 C CYS A 33 11.473 14.912 0.109 1.00 51.41 C ATOM 480 O CYS A 33 10.533 15.679 -0.096 1.00 34.12 O ATOM 481 CB CYS A 33 11.787 12.471 0.555 1.00 64.23 C ATOM 482 SG CYS A 33 11.995 11.135 1.776 1.00 72.24 S ATOM 0 H CYS A 33 9.353 13.255 1.085 1.00 31.32 H new ATOM 0 HA CYS A 33 12.046 14.056 1.983 1.00 54.35 H new ATOM 0 HB2 CYS A 33 11.037 12.167 -0.176 1.00 64.23 H new ATOM 0 HB3 CYS A 33 12.724 12.604 0.014 1.00 64.23 H new ATOM 487 N GLY A 34 12.622 14.983 -0.557 1.00 12.22 N ATOM 488 CA GLY A 34 12.825 15.992 -1.580 1.00 64.11 C ATOM 489 C GLY A 34 12.826 15.407 -2.979 1.00 12.24 C ATOM 490 O GLY A 34 12.028 15.807 -3.828 1.00 25.02 O ATOM 0 H GLY A 34 13.415 14.360 -0.406 1.00 12.22 H new ATOM 0 HA2 GLY A 34 12.040 16.744 -1.505 1.00 64.11 H new ATOM 0 HA3 GLY A 34 13.772 16.501 -1.401 1.00 64.11 H new ATOM 494 N THR A 35 13.724 14.458 -3.221 1.00 63.23 N ATOM 495 CA THR A 35 13.827 13.819 -4.527 1.00 45.02 C ATOM 496 C THR A 35 14.233 12.356 -4.393 1.00 32.30 C ATOM 497 O THR A 35 14.412 11.850 -3.286 1.00 35.12 O ATOM 498 CB THR A 35 14.847 14.542 -5.427 1.00 63.12 C ATOM 499 OG1 THR A 35 14.706 14.099 -6.781 1.00 62.25 O ATOM 500 CG2 THR A 35 16.269 14.285 -4.950 1.00 35.45 C ATOM 0 H THR A 35 14.391 14.115 -2.530 1.00 63.23 H new ATOM 0 HA THR A 35 12.840 13.879 -4.987 1.00 45.02 H new ATOM 0 HB THR A 35 14.651 15.613 -5.373 1.00 63.12 H new ATOM 0 HG1 THR A 35 15.357 14.565 -7.347 1.00 62.25 H new ATOM 0 HG21 THR A 35 16.971 14.806 -5.601 1.00 35.45 H new ATOM 0 HG22 THR A 35 16.382 14.650 -3.929 1.00 35.45 H new ATOM 0 HG23 THR A 35 16.474 13.215 -4.977 1.00 35.45 H new ATOM 508 N GLY A 36 14.377 11.680 -5.529 1.00 21.52 N ATOM 509 CA GLY A 36 14.761 10.280 -5.515 1.00 42.14 C ATOM 510 C GLY A 36 15.108 9.761 -6.897 1.00 35.33 C ATOM 511 O GLY A 36 14.343 9.940 -7.844 1.00 72.05 O ATOM 0 H GLY A 36 14.235 12.076 -6.458 1.00 21.52 H new ATOM 0 HA2 GLY A 36 15.618 10.148 -4.855 1.00 42.14 H new ATOM 0 HA3 GLY A 36 13.946 9.687 -5.101 1.00 42.14 H new ATOM 515 N SER A 37 16.264 9.117 -7.012 1.00 65.41 N ATOM 516 CA SER A 37 16.713 8.574 -8.289 1.00 44.32 C ATOM 517 C SER A 37 16.923 7.066 -8.195 1.00 41.13 C ATOM 518 O SER A 37 17.345 6.549 -7.160 1.00 42.25 O ATOM 519 CB SER A 37 18.011 9.255 -8.728 1.00 64.22 C ATOM 520 OG SER A 37 18.047 9.426 -10.134 1.00 62.25 O ATOM 0 H SER A 37 16.907 8.958 -6.237 1.00 65.41 H new ATOM 0 HA SER A 37 15.939 8.769 -9.031 1.00 44.32 H new ATOM 0 HB2 SER A 37 18.100 10.225 -8.238 1.00 64.22 H new ATOM 0 HB3 SER A 37 18.865 8.657 -8.409 1.00 64.22 H new ATOM 0 HG SER A 37 18.885 9.865 -10.389 1.00 62.25 H new ATOM 526 N CYS A 38 16.625 6.365 -9.284 1.00 31.10 N ATOM 527 CA CYS A 38 16.779 4.916 -9.327 1.00 23.21 C ATOM 528 C CYS A 38 17.891 4.516 -10.293 1.00 21.45 C ATOM 529 O CYS A 38 18.056 5.120 -11.353 1.00 34.33 O ATOM 530 CB CYS A 38 15.464 4.254 -9.744 1.00 3.05 C ATOM 531 SG CYS A 38 15.044 4.478 -11.502 1.00 34.22 S ATOM 0 H CYS A 38 16.275 6.777 -10.149 1.00 31.10 H new ATOM 0 HA CYS A 38 17.049 4.575 -8.328 1.00 23.21 H new ATOM 0 HB2 CYS A 38 15.522 3.187 -9.528 1.00 3.05 H new ATOM 0 HB3 CYS A 38 14.656 4.659 -9.134 1.00 3.05 H new ATOM 536 N LYS A 39 18.652 3.493 -9.918 1.00 62.24 N ATOM 537 CA LYS A 39 19.748 3.009 -10.750 1.00 52.32 C ATOM 538 C LYS A 39 19.896 1.496 -10.629 1.00 74.14 C ATOM 539 O LYS A 39 19.641 0.919 -9.572 1.00 11.10 O ATOM 540 CB LYS A 39 21.058 3.694 -10.353 1.00 33.43 C ATOM 541 CG LYS A 39 20.934 5.199 -10.194 1.00 15.04 C ATOM 542 CD LYS A 39 22.235 5.818 -9.712 1.00 11.03 C ATOM 543 CE LYS A 39 22.291 7.307 -10.019 1.00 23.41 C ATOM 544 NZ LYS A 39 23.382 7.634 -10.978 1.00 43.11 N ATOM 0 H LYS A 39 18.530 2.983 -9.043 1.00 62.24 H new ATOM 0 HA LYS A 39 19.518 3.252 -11.787 1.00 52.32 H new ATOM 0 HB2 LYS A 39 21.412 3.266 -9.415 1.00 33.43 H new ATOM 0 HB3 LYS A 39 21.814 3.478 -11.108 1.00 33.43 H new ATOM 0 HG2 LYS A 39 20.650 5.644 -11.147 1.00 15.04 H new ATOM 0 HG3 LYS A 39 20.137 5.427 -9.486 1.00 15.04 H new ATOM 0 HD2 LYS A 39 22.337 5.663 -8.638 1.00 11.03 H new ATOM 0 HD3 LYS A 39 23.077 5.315 -10.188 1.00 11.03 H new ATOM 0 HE2 LYS A 39 21.335 7.629 -10.433 1.00 23.41 H new ATOM 0 HE3 LYS A 39 22.442 7.863 -9.094 1.00 23.41 H new ATOM 0 HZ1 LYS A 39 23.387 8.658 -11.162 1.00 43.11 H new ATOM 0 HZ2 LYS A 39 24.297 7.350 -10.573 1.00 43.11 H new ATOM 0 HZ3 LYS A 39 23.225 7.123 -11.870 1.00 43.11 H new ATOM 558 N LYS A 40 20.310 0.858 -11.719 1.00 21.23 N ATOM 559 CA LYS A 40 20.495 -0.588 -11.735 1.00 30.51 C ATOM 560 C LYS A 40 21.664 -0.998 -10.844 1.00 52.43 C ATOM 561 O LYS A 40 22.819 -0.697 -11.144 1.00 64.10 O ATOM 562 CB LYS A 40 20.735 -1.077 -13.165 1.00 53.44 C ATOM 563 CG LYS A 40 19.509 -1.702 -13.808 1.00 52.33 C ATOM 564 CD LYS A 40 19.102 -2.984 -13.102 1.00 74.13 C ATOM 565 CE LYS A 40 18.321 -3.905 -14.027 1.00 35.43 C ATOM 566 NZ LYS A 40 19.138 -4.345 -15.191 1.00 74.34 N ATOM 0 H LYS A 40 20.524 1.320 -12.603 1.00 21.23 H new ATOM 0 HA LYS A 40 19.586 -1.049 -11.347 1.00 30.51 H new ATOM 0 HB2 LYS A 40 21.067 -0.238 -13.776 1.00 53.44 H new ATOM 0 HB3 LYS A 40 21.544 -1.807 -13.159 1.00 53.44 H new ATOM 0 HG2 LYS A 40 18.682 -0.993 -13.782 1.00 52.33 H new ATOM 0 HG3 LYS A 40 19.715 -1.913 -14.857 1.00 52.33 H new ATOM 0 HD2 LYS A 40 19.991 -3.499 -12.740 1.00 74.13 H new ATOM 0 HD3 LYS A 40 18.495 -2.743 -12.229 1.00 74.13 H new ATOM 0 HE2 LYS A 40 17.984 -4.779 -13.469 1.00 35.43 H new ATOM 0 HE3 LYS A 40 17.429 -3.390 -14.383 1.00 35.43 H new ATOM 0 HZ1 LYS A 40 19.134 -5.384 -15.245 1.00 74.34 H new ATOM 0 HZ2 LYS A 40 18.737 -3.951 -16.066 1.00 74.34 H new ATOM 0 HZ3 LYS A 40 20.115 -4.008 -15.076 1.00 74.34 H new ATOM 580 N ARG A 41 21.355 -1.685 -9.750 1.00 24.42 N ATOM 581 CA ARG A 41 22.381 -2.136 -8.816 1.00 54.23 C ATOM 582 C ARG A 41 22.702 -3.612 -9.032 1.00 14.11 C ATOM 583 O ARG A 41 21.909 -4.487 -8.684 1.00 72.14 O ATOM 584 CB ARG A 41 21.923 -1.908 -7.374 1.00 44.34 C ATOM 585 CG ARG A 41 21.706 -0.444 -7.029 1.00 13.41 C ATOM 586 CD ARG A 41 23.004 0.344 -7.098 1.00 45.23 C ATOM 587 NE ARG A 41 23.971 -0.104 -6.099 1.00 73.11 N ATOM 588 CZ ARG A 41 25.069 0.573 -5.784 1.00 25.51 C ATOM 589 NH1 ARG A 41 25.340 1.722 -6.386 1.00 53.33 N ATOM 590 NH2 ARG A 41 25.900 0.099 -4.864 1.00 4.41 N ATOM 0 H ARG A 41 20.403 -1.942 -9.488 1.00 24.42 H new ATOM 0 HA ARG A 41 23.285 -1.555 -8.999 1.00 54.23 H new ATOM 0 HB2 ARG A 41 20.995 -2.454 -7.206 1.00 44.34 H new ATOM 0 HB3 ARG A 41 22.666 -2.326 -6.695 1.00 44.34 H new ATOM 0 HG2 ARG A 41 20.980 -0.011 -7.717 1.00 13.41 H new ATOM 0 HG3 ARG A 41 21.284 -0.364 -6.027 1.00 13.41 H new ATOM 0 HD2 ARG A 41 23.437 0.242 -8.093 1.00 45.23 H new ATOM 0 HD3 ARG A 41 22.793 1.403 -6.949 1.00 45.23 H new ATOM 0 HE ARG A 41 23.793 -0.985 -5.617 1.00 73.11 H new ATOM 0 HH11 ARG A 41 24.704 2.089 -7.094 1.00 53.33 H new ATOM 0 HH12 ARG A 41 26.184 2.239 -6.141 1.00 53.33 H new ATOM 0 HH21 ARG A 41 25.695 -0.785 -4.399 1.00 4.41 H new ATOM 0 HH22 ARG A 41 26.743 0.619 -4.622 1.00 4.41 H new ATOM 604 N SER A 42 23.869 -3.880 -9.608 1.00 60.40 N ATOM 605 CA SER A 42 24.293 -5.250 -9.874 1.00 41.11 C ATOM 606 C SER A 42 23.292 -5.963 -10.778 1.00 14.12 C ATOM 607 O SER A 42 23.111 -7.176 -10.687 1.00 62.44 O ATOM 608 CB SER A 42 24.452 -6.021 -8.562 1.00 45.14 C ATOM 609 OG SER A 42 25.592 -6.863 -8.601 1.00 13.12 O ATOM 0 H SER A 42 24.538 -3.167 -9.899 1.00 60.40 H new ATOM 0 HA SER A 42 25.255 -5.213 -10.385 1.00 41.11 H new ATOM 0 HB2 SER A 42 24.542 -5.319 -7.733 1.00 45.14 H new ATOM 0 HB3 SER A 42 23.560 -6.619 -8.378 1.00 45.14 H new ATOM 0 HG SER A 42 25.673 -7.344 -7.751 1.00 13.12 H new ATOM 615 N GLY A 43 22.642 -5.198 -11.650 1.00 50.01 N ATOM 616 CA GLY A 43 21.666 -5.772 -12.558 1.00 24.50 C ATOM 617 C GLY A 43 20.289 -5.882 -11.935 1.00 53.32 C ATOM 618 O GLY A 43 19.410 -6.558 -12.470 1.00 62.14 O ATOM 0 H GLY A 43 22.774 -4.191 -11.744 1.00 50.01 H new ATOM 0 HA2 GLY A 43 21.607 -5.159 -13.457 1.00 24.50 H new ATOM 0 HA3 GLY A 43 22.001 -6.762 -12.868 1.00 24.50 H new ATOM 622 N ARG A 44 20.100 -5.216 -10.801 1.00 35.24 N ATOM 623 CA ARG A 44 18.820 -5.244 -10.103 1.00 33.12 C ATOM 624 C ARG A 44 18.213 -3.846 -10.023 1.00 25.10 C ATOM 625 O ARG A 44 18.886 -2.869 -9.693 1.00 41.15 O ATOM 626 CB ARG A 44 18.995 -5.817 -8.695 1.00 55.12 C ATOM 627 CG ARG A 44 19.515 -7.245 -8.679 1.00 50.11 C ATOM 628 CD ARG A 44 18.441 -8.234 -9.105 1.00 44.03 C ATOM 629 NE ARG A 44 18.980 -9.578 -9.294 1.00 73.35 N ATOM 630 CZ ARG A 44 18.222 -10.662 -9.424 1.00 1.24 C ATOM 631 NH1 ARG A 44 16.901 -10.559 -9.384 1.00 72.55 N ATOM 632 NH2 ARG A 44 18.786 -11.851 -9.593 1.00 2.13 N ATOM 0 H ARG A 44 20.817 -4.650 -10.346 1.00 35.24 H new ATOM 0 HA ARG A 44 18.141 -5.884 -10.667 1.00 33.12 H new ATOM 0 HB2 ARG A 44 19.683 -5.182 -8.137 1.00 55.12 H new ATOM 0 HB3 ARG A 44 18.037 -5.782 -8.176 1.00 55.12 H new ATOM 0 HG2 ARG A 44 20.373 -7.328 -9.346 1.00 50.11 H new ATOM 0 HG3 ARG A 44 19.865 -7.495 -7.677 1.00 50.11 H new ATOM 0 HD2 ARG A 44 17.654 -8.262 -8.351 1.00 44.03 H new ATOM 0 HD3 ARG A 44 17.982 -7.893 -10.033 1.00 44.03 H new ATOM 0 HE ARG A 44 19.993 -9.691 -9.328 1.00 73.35 H new ATOM 0 HH11 ARG A 44 16.464 -9.647 -9.253 1.00 72.55 H new ATOM 0 HH12 ARG A 44 16.321 -11.392 -9.484 1.00 72.55 H new ATOM 0 HH21 ARG A 44 19.802 -11.934 -9.623 1.00 2.13 H new ATOM 0 HH22 ARG A 44 18.203 -12.682 -9.693 1.00 2.13 H new ATOM 646 N PRO A 45 16.912 -3.747 -10.332 1.00 0.41 N ATOM 647 CA PRO A 45 16.186 -2.473 -10.303 1.00 25.25 C ATOM 648 C PRO A 45 15.990 -1.951 -8.884 1.00 1.54 C ATOM 649 O PRO A 45 14.993 -2.258 -8.229 1.00 62.42 O ATOM 650 CB PRO A 45 14.837 -2.819 -10.936 1.00 71.25 C ATOM 651 CG PRO A 45 14.666 -4.279 -10.692 1.00 4.24 C ATOM 652 CD PRO A 45 16.048 -4.870 -10.733 1.00 44.22 C ATOM 0 HA PRO A 45 16.727 -1.683 -10.825 1.00 25.25 H new ATOM 0 HB2 PRO A 45 14.029 -2.245 -10.483 1.00 71.25 H new ATOM 0 HB3 PRO A 45 14.831 -2.593 -12.002 1.00 71.25 H new ATOM 0 HG2 PRO A 45 14.192 -4.461 -9.727 1.00 4.24 H new ATOM 0 HG3 PRO A 45 14.026 -4.729 -11.451 1.00 4.24 H new ATOM 0 HD2 PRO A 45 16.144 -5.714 -10.051 1.00 44.22 H new ATOM 0 HD3 PRO A 45 16.300 -5.235 -11.729 1.00 44.22 H new ATOM 660 N THR A 46 16.947 -1.157 -8.412 1.00 62.21 N ATOM 661 CA THR A 46 16.880 -0.592 -7.070 1.00 73.24 C ATOM 662 C THR A 46 16.508 0.885 -7.114 1.00 52.42 C ATOM 663 O THR A 46 17.081 1.658 -7.883 1.00 3.15 O ATOM 664 CB THR A 46 18.219 -0.751 -6.326 1.00 32.00 C ATOM 665 OG1 THR A 46 18.550 -2.139 -6.205 1.00 2.25 O ATOM 666 CG2 THR A 46 18.148 -0.119 -4.944 1.00 42.53 C ATOM 0 H THR A 46 17.778 -0.891 -8.940 1.00 62.21 H new ATOM 0 HA THR A 46 16.107 -1.143 -6.533 1.00 73.24 H new ATOM 0 HB THR A 46 18.992 -0.242 -6.902 1.00 32.00 H new ATOM 0 HG1 THR A 46 19.403 -2.232 -5.732 1.00 2.25 H new ATOM 0 HG21 THR A 46 19.105 -0.244 -4.437 1.00 42.53 H new ATOM 0 HG22 THR A 46 17.924 0.943 -5.041 1.00 42.53 H new ATOM 0 HG23 THR A 46 17.364 -0.603 -4.362 1.00 42.53 H new ATOM 674 N CYS A 47 15.545 1.273 -6.285 1.00 12.23 N ATOM 675 CA CYS A 47 15.096 2.659 -6.228 1.00 12.01 C ATOM 676 C CYS A 47 15.707 3.380 -5.030 1.00 43.32 C ATOM 677 O CYS A 47 15.498 2.988 -3.882 1.00 52.22 O ATOM 678 CB CYS A 47 13.569 2.720 -6.149 1.00 21.44 C ATOM 679 SG CYS A 47 12.826 4.057 -7.137 1.00 13.33 S ATOM 0 H CYS A 47 15.060 0.646 -5.643 1.00 12.23 H new ATOM 0 HA CYS A 47 15.426 3.159 -7.138 1.00 12.01 H new ATOM 0 HB2 CYS A 47 13.160 1.766 -6.483 1.00 21.44 H new ATOM 0 HB3 CYS A 47 13.275 2.846 -5.107 1.00 21.44 H new ATOM 684 N VAL A 48 16.464 4.437 -5.306 1.00 44.54 N ATOM 685 CA VAL A 48 17.105 5.215 -4.253 1.00 25.13 C ATOM 686 C VAL A 48 16.464 6.591 -4.118 1.00 2.42 C ATOM 687 O VAL A 48 16.007 7.175 -5.101 1.00 63.23 O ATOM 688 CB VAL A 48 18.613 5.387 -4.520 1.00 34.21 C ATOM 689 CG1 VAL A 48 19.346 5.743 -3.235 1.00 74.25 C ATOM 690 CG2 VAL A 48 19.191 4.124 -5.141 1.00 14.12 C ATOM 0 H VAL A 48 16.648 4.774 -6.251 1.00 44.54 H new ATOM 0 HA VAL A 48 16.969 4.661 -3.324 1.00 25.13 H new ATOM 0 HB VAL A 48 18.748 6.206 -5.226 1.00 34.21 H new ATOM 0 HG11 VAL A 48 20.409 5.860 -3.443 1.00 74.25 H new ATOM 0 HG12 VAL A 48 18.949 6.677 -2.836 1.00 74.25 H new ATOM 0 HG13 VAL A 48 19.205 4.947 -2.503 1.00 74.25 H new ATOM 0 HG21 VAL A 48 20.257 4.263 -5.323 1.00 14.12 H new ATOM 0 HG22 VAL A 48 19.045 3.285 -4.461 1.00 14.12 H new ATOM 0 HG23 VAL A 48 18.686 3.918 -6.085 1.00 14.12 H new ATOM 700 N CYS A 49 16.434 7.106 -2.893 1.00 54.32 N ATOM 701 CA CYS A 49 15.849 8.415 -2.628 1.00 35.03 C ATOM 702 C CYS A 49 16.911 9.397 -2.142 1.00 55.32 C ATOM 703 O CYS A 49 18.018 9.001 -1.778 1.00 33.24 O ATOM 704 CB CYS A 49 14.734 8.297 -1.587 1.00 35.33 C ATOM 705 SG CYS A 49 13.067 8.632 -2.241 1.00 12.31 S ATOM 0 H CYS A 49 16.808 6.637 -2.068 1.00 54.32 H new ATOM 0 HA CYS A 49 15.429 8.793 -3.560 1.00 35.03 H new ATOM 0 HB2 CYS A 49 14.751 7.293 -1.164 1.00 35.33 H new ATOM 0 HB3 CYS A 49 14.939 8.990 -0.771 1.00 35.33 H new ATOM 710 N TYR A 50 16.565 10.680 -2.140 1.00 60.11 N ATOM 711 CA TYR A 50 17.489 11.720 -1.702 1.00 34.53 C ATOM 712 C TYR A 50 16.731 12.935 -1.176 1.00 31.10 C ATOM 713 O TYR A 50 15.506 13.005 -1.271 1.00 55.42 O ATOM 714 CB TYR A 50 18.406 12.135 -2.853 1.00 55.23 C ATOM 715 CG TYR A 50 19.301 11.021 -3.347 1.00 11.23 C ATOM 716 CD1 TYR A 50 20.552 10.808 -2.782 1.00 24.41 C ATOM 717 CD2 TYR A 50 18.896 10.183 -4.378 1.00 62.11 C ATOM 718 CE1 TYR A 50 21.374 9.792 -3.230 1.00 23.52 C ATOM 719 CE2 TYR A 50 19.711 9.163 -4.831 1.00 53.44 C ATOM 720 CZ TYR A 50 20.949 8.972 -4.254 1.00 72.13 C ATOM 721 OH TYR A 50 21.764 7.958 -4.704 1.00 12.41 O ATOM 0 H TYR A 50 15.652 11.025 -2.437 1.00 60.11 H new ATOM 0 HA TYR A 50 18.096 11.314 -0.892 1.00 34.53 H new ATOM 0 HB2 TYR A 50 17.795 12.493 -3.682 1.00 55.23 H new ATOM 0 HB3 TYR A 50 19.026 12.971 -2.529 1.00 55.23 H new ATOM 0 HD1 TYR A 50 20.888 11.447 -1.979 1.00 24.41 H new ATOM 0 HD2 TYR A 50 17.928 10.331 -4.833 1.00 62.11 H new ATOM 0 HE1 TYR A 50 22.344 9.641 -2.781 1.00 23.52 H new ATOM 0 HE2 TYR A 50 19.380 8.519 -5.632 1.00 53.44 H new ATOM 0 HH TYR A 50 21.315 7.474 -5.428 1.00 12.41 H new ATOM 731 N ARG A 51 17.470 13.890 -0.621 1.00 51.25 N ATOM 732 CA ARG A 51 16.869 15.103 -0.080 1.00 4.23 C ATOM 733 C ARG A 51 15.726 14.765 0.873 1.00 42.22 C ATOM 734 O ARG A 51 14.785 15.543 1.031 1.00 1.42 O ATOM 735 CB ARG A 51 16.357 15.994 -1.213 1.00 11.02 C ATOM 736 CG ARG A 51 17.430 16.380 -2.217 1.00 64.12 C ATOM 737 CD ARG A 51 17.297 17.833 -2.645 1.00 13.12 C ATOM 738 NE ARG A 51 18.594 18.496 -2.745 1.00 63.33 N ATOM 739 CZ ARG A 51 19.479 18.239 -3.703 1.00 35.33 C ATOM 740 NH1 ARG A 51 19.206 17.338 -4.637 1.00 51.52 N ATOM 741 NH2 ARG A 51 20.638 18.883 -3.727 1.00 2.21 N ATOM 0 H ARG A 51 18.485 13.847 -0.534 1.00 51.25 H new ATOM 0 HA ARG A 51 17.636 15.641 0.477 1.00 4.23 H new ATOM 0 HB2 ARG A 51 15.552 15.477 -1.735 1.00 11.02 H new ATOM 0 HB3 ARG A 51 15.929 16.901 -0.785 1.00 11.02 H new ATOM 0 HG2 ARG A 51 18.415 16.218 -1.779 1.00 64.12 H new ATOM 0 HG3 ARG A 51 17.360 15.734 -3.092 1.00 64.12 H new ATOM 0 HD2 ARG A 51 16.790 17.882 -3.609 1.00 13.12 H new ATOM 0 HD3 ARG A 51 16.672 18.366 -1.929 1.00 13.12 H new ATOM 0 HE ARG A 51 18.834 19.194 -2.041 1.00 63.33 H new ATOM 0 HH11 ARG A 51 18.316 16.841 -4.621 1.00 51.52 H new ATOM 0 HH12 ARG A 51 19.886 17.142 -5.371 1.00 51.52 H new ATOM 0 HH21 ARG A 51 20.851 19.576 -3.010 1.00 2.21 H new ATOM 0 HH22 ARG A 51 21.316 18.685 -4.463 1.00 2.21 H new ATOM 755 N CYS A 52 15.814 13.599 1.504 1.00 3.54 N ATOM 756 CA CYS A 52 14.788 13.157 2.440 1.00 30.24 C ATOM 757 C CYS A 52 14.841 13.970 3.730 1.00 0.35 C ATOM 758 O CYS A 52 15.727 14.805 3.914 1.00 33.42 O ATOM 759 CB CYS A 52 14.962 11.670 2.755 1.00 70.32 C ATOM 760 SG CYS A 52 13.394 10.760 2.939 1.00 3.33 S ATOM 0 H CYS A 52 16.586 12.943 1.384 1.00 3.54 H new ATOM 0 HA CYS A 52 13.815 13.312 1.973 1.00 30.24 H new ATOM 0 HB2 CYS A 52 15.547 11.207 1.960 1.00 70.32 H new ATOM 0 HB3 CYS A 52 15.538 11.569 3.675 1.00 70.32 H new ATOM 765 N ALA A 53 13.887 13.720 4.621 1.00 55.22 N ATOM 766 CA ALA A 53 13.826 14.427 5.894 1.00 35.11 C ATOM 767 C ALA A 53 14.251 13.522 7.045 1.00 34.43 C ATOM 768 O ALA A 53 14.801 13.987 8.042 1.00 33.24 O ATOM 769 CB ALA A 53 12.422 14.964 6.133 1.00 61.10 C ATOM 0 H ALA A 53 13.146 13.033 4.484 1.00 55.22 H new ATOM 0 HA ALA A 53 14.521 15.265 5.850 1.00 35.11 H new ATOM 0 HB1 ALA A 53 12.391 15.490 7.087 1.00 61.10 H new ATOM 0 HB2 ALA A 53 12.154 15.652 5.331 1.00 61.10 H new ATOM 0 HB3 ALA A 53 11.714 14.136 6.152 1.00 61.10 H new ATOM 775 N ASN A 54 13.991 12.226 6.900 1.00 10.22 N ATOM 776 CA ASN A 54 14.346 11.256 7.929 1.00 31.33 C ATOM 777 C ASN A 54 15.736 10.680 7.678 1.00 62.13 C ATOM 778 O ASN A 54 16.085 9.622 8.200 1.00 4.31 O ATOM 779 CB ASN A 54 13.314 10.127 7.973 1.00 62.35 C ATOM 780 CG ASN A 54 13.099 9.594 9.376 1.00 70.52 C ATOM 781 OD1 ASN A 54 12.723 10.336 10.283 1.00 2.10 O ATOM 782 ND2 ASN A 54 13.337 8.300 9.560 1.00 2.22 N ATOM 0 H ASN A 54 13.536 11.824 6.080 1.00 10.22 H new ATOM 0 HA ASN A 54 14.354 11.770 8.890 1.00 31.33 H new ATOM 0 HB2 ASN A 54 12.366 10.490 7.576 1.00 62.35 H new ATOM 0 HB3 ASN A 54 13.641 9.314 7.325 1.00 62.35 H new ATOM 0 HD21 ASN A 54 13.209 7.884 10.483 1.00 2.22 H new ATOM 0 HD22 ASN A 54 13.647 7.722 8.779 1.00 2.22 H new ATOM 789 N GLY A 55 16.526 11.385 6.873 1.00 22.23 N ATOM 790 CA GLY A 55 17.869 10.929 6.567 1.00 63.34 C ATOM 791 C GLY A 55 18.606 11.876 5.640 1.00 31.04 C ATOM 792 O GLY A 55 19.828 11.999 5.711 1.00 51.21 O ATOM 0 H GLY A 55 16.260 12.263 6.428 1.00 22.23 H new ATOM 0 HA2 GLY A 55 18.433 10.821 7.494 1.00 63.34 H new ATOM 0 HA3 GLY A 55 17.818 9.942 6.108 1.00 63.34 H new ATOM 796 N GLY A 56 17.860 12.547 4.767 1.00 25.32 N ATOM 797 CA GLY A 56 18.468 13.478 3.834 1.00 32.41 C ATOM 798 C GLY A 56 19.508 12.817 2.950 1.00 15.45 C ATOM 799 O GLY A 56 20.682 13.183 2.982 1.00 53.01 O ATOM 0 H GLY A 56 16.846 12.463 4.689 1.00 25.32 H new ATOM 0 HA2 GLY A 56 17.692 13.920 3.209 1.00 32.41 H new ATOM 0 HA3 GLY A 56 18.932 14.293 4.389 1.00 32.41 H new ATOM 803 N GLY A 57 19.075 11.839 2.160 1.00 44.41 N ATOM 804 CA GLY A 57 19.990 11.141 1.276 1.00 24.12 C ATOM 805 C GLY A 57 19.452 9.797 0.829 1.00 74.42 C ATOM 806 O GLY A 57 18.247 9.638 0.630 1.00 41.14 O ATOM 0 H GLY A 57 18.108 11.518 2.117 1.00 44.41 H new ATOM 0 HA2 GLY A 57 20.187 11.759 0.400 1.00 24.12 H new ATOM 0 HA3 GLY A 57 20.943 10.996 1.785 1.00 24.12 H new ATOM 810 N ASP A 58 20.345 8.827 0.669 1.00 61.42 N ATOM 811 CA ASP A 58 19.953 7.489 0.241 1.00 32.32 C ATOM 812 C ASP A 58 19.040 6.834 1.274 1.00 63.15 C ATOM 813 O ASP A 58 19.502 6.355 2.310 1.00 44.14 O ATOM 814 CB ASP A 58 21.191 6.620 0.012 1.00 34.13 C ATOM 815 CG ASP A 58 22.190 6.725 1.147 1.00 10.54 C ATOM 816 OD1 ASP A 58 22.954 7.713 1.175 1.00 24.14 O ATOM 817 OD2 ASP A 58 22.207 5.821 2.008 1.00 1.22 O ATOM 0 H ASP A 58 21.346 8.942 0.829 1.00 61.42 H new ATOM 0 HA ASP A 58 19.405 7.580 -0.697 1.00 32.32 H new ATOM 0 HB2 ASP A 58 20.885 5.580 -0.104 1.00 34.13 H new ATOM 0 HB3 ASP A 58 21.672 6.916 -0.920 1.00 34.13 H new ATOM 822 N ILE A 59 17.744 6.818 0.984 1.00 74.11 N ATOM 823 CA ILE A 59 16.767 6.222 1.887 1.00 10.11 C ATOM 824 C ILE A 59 15.757 5.374 1.122 1.00 33.23 C ATOM 825 O ILE A 59 14.916 5.883 0.381 1.00 43.04 O ATOM 826 CB ILE A 59 16.013 7.298 2.690 1.00 1.44 C ATOM 827 CG1 ILE A 59 16.992 8.345 3.226 1.00 0.20 C ATOM 828 CG2 ILE A 59 15.235 6.660 3.831 1.00 23.24 C ATOM 829 CD1 ILE A 59 17.721 7.907 4.477 1.00 33.10 C ATOM 0 H ILE A 59 17.346 7.211 0.131 1.00 74.11 H new ATOM 0 HA ILE A 59 17.322 5.587 2.578 1.00 10.11 H new ATOM 0 HB ILE A 59 15.305 7.795 2.027 1.00 1.44 H new ATOM 0 HG12 ILE A 59 17.723 8.577 2.452 1.00 0.20 H new ATOM 0 HG13 ILE A 59 16.448 9.266 3.436 1.00 0.20 H new ATOM 0 HG21 ILE A 59 14.708 7.434 4.389 1.00 23.24 H new ATOM 0 HG22 ILE A 59 14.514 5.949 3.427 1.00 23.24 H new ATOM 0 HG23 ILE A 59 15.925 6.140 4.496 1.00 23.24 H new ATOM 0 HD11 ILE A 59 18.397 8.698 4.800 1.00 33.10 H new ATOM 0 HD12 ILE A 59 16.998 7.703 5.267 1.00 33.10 H new ATOM 0 HD13 ILE A 59 18.294 7.004 4.267 1.00 33.10 H new ATOM 841 N PRO A 60 15.837 4.048 1.307 1.00 64.32 N ATOM 842 CA PRO A 60 14.936 3.100 0.645 1.00 42.04 C ATOM 843 C PRO A 60 13.510 3.186 1.178 1.00 4.24 C ATOM 844 O PRO A 60 13.292 3.510 2.347 1.00 45.34 O ATOM 845 CB PRO A 60 15.550 1.737 0.975 1.00 15.12 C ATOM 846 CG PRO A 60 16.304 1.958 2.240 1.00 5.23 C ATOM 847 CD PRO A 60 16.814 3.371 2.177 1.00 44.45 C ATOM 0 HA PRO A 60 14.851 3.297 -0.424 1.00 42.04 H new ATOM 0 HB2 PRO A 60 14.780 0.976 1.101 1.00 15.12 H new ATOM 0 HB3 PRO A 60 16.208 1.395 0.176 1.00 15.12 H new ATOM 0 HG2 PRO A 60 15.661 1.814 3.108 1.00 5.23 H new ATOM 0 HG3 PRO A 60 17.127 1.250 2.332 1.00 5.23 H new ATOM 0 HD2 PRO A 60 16.856 3.828 3.166 1.00 44.45 H new ATOM 0 HD3 PRO A 60 17.821 3.417 1.762 1.00 44.45 H new ATOM 855 N LEU A 61 12.542 2.894 0.317 1.00 65.02 N ATOM 856 CA LEU A 61 11.136 2.938 0.702 1.00 22.12 C ATOM 857 C LEU A 61 10.894 2.127 1.971 1.00 12.23 C ATOM 858 O LEU A 61 9.909 2.339 2.677 1.00 55.11 O ATOM 859 CB LEU A 61 10.259 2.405 -0.432 1.00 43.13 C ATOM 860 CG LEU A 61 9.324 3.420 -1.091 1.00 21.20 C ATOM 861 CD1 LEU A 61 10.099 4.652 -1.533 1.00 31.44 C ATOM 862 CD2 LEU A 61 8.601 2.790 -2.273 1.00 2.03 C ATOM 0 H LEU A 61 12.705 2.624 -0.653 1.00 65.02 H new ATOM 0 HA LEU A 61 10.871 3.977 0.900 1.00 22.12 H new ATOM 0 HB2 LEU A 61 10.909 1.987 -1.201 1.00 43.13 H new ATOM 0 HB3 LEU A 61 9.656 1.584 -0.043 1.00 43.13 H new ATOM 0 HG LEU A 61 8.579 3.729 -0.357 1.00 21.20 H new ATOM 0 HD11 LEU A 61 9.417 5.363 -2.000 1.00 31.44 H new ATOM 0 HD12 LEU A 61 10.570 5.116 -0.666 1.00 31.44 H new ATOM 0 HD13 LEU A 61 10.866 4.361 -2.250 1.00 31.44 H new ATOM 0 HD21 LEU A 61 7.940 3.527 -2.730 1.00 2.03 H new ATOM 0 HD22 LEU A 61 9.331 2.452 -3.008 1.00 2.03 H new ATOM 0 HD23 LEU A 61 8.013 1.939 -1.928 1.00 2.03 H new ATOM 874 N GLY A 62 11.801 1.198 2.257 1.00 45.33 N ATOM 875 CA GLY A 62 11.669 0.371 3.442 1.00 43.31 C ATOM 876 C GLY A 62 12.169 1.067 4.693 1.00 74.33 C ATOM 877 O GLY A 62 11.631 0.863 5.781 1.00 54.53 O ATOM 0 H GLY A 62 12.625 1.003 1.689 1.00 45.33 H new ATOM 0 HA2 GLY A 62 10.622 0.097 3.576 1.00 43.31 H new ATOM 0 HA3 GLY A 62 12.225 -0.556 3.299 1.00 43.31 H new ATOM 881 N ALA A 63 13.202 1.889 4.539 1.00 74.44 N ATOM 882 CA ALA A 63 13.773 2.616 5.665 1.00 43.43 C ATOM 883 C ALA A 63 12.938 3.847 6.004 1.00 25.51 C ATOM 884 O ALA A 63 12.963 4.333 7.135 1.00 14.15 O ATOM 885 CB ALA A 63 15.209 3.018 5.359 1.00 13.24 C ATOM 0 H ALA A 63 13.660 2.068 3.645 1.00 74.44 H new ATOM 0 HA ALA A 63 13.768 1.956 6.532 1.00 43.43 H new ATOM 0 HB1 ALA A 63 15.624 3.561 6.209 1.00 13.24 H new ATOM 0 HB2 ALA A 63 15.805 2.125 5.173 1.00 13.24 H new ATOM 0 HB3 ALA A 63 15.228 3.657 4.476 1.00 13.24 H new ATOM 891 N LEU A 64 12.201 4.346 5.018 1.00 23.32 N ATOM 892 CA LEU A 64 11.359 5.521 5.212 1.00 34.33 C ATOM 893 C LEU A 64 10.057 5.147 5.915 1.00 4.42 C ATOM 894 O LEU A 64 9.226 6.009 6.202 1.00 40.32 O ATOM 895 CB LEU A 64 11.053 6.182 3.867 1.00 25.40 C ATOM 896 CG LEU A 64 11.780 7.497 3.585 1.00 4.12 C ATOM 897 CD1 LEU A 64 11.765 7.807 2.097 1.00 54.45 C ATOM 898 CD2 LEU A 64 11.150 8.635 4.376 1.00 63.53 C ATOM 0 H LEU A 64 12.169 3.955 4.076 1.00 23.32 H new ATOM 0 HA LEU A 64 11.902 6.226 5.841 1.00 34.33 H new ATOM 0 HB2 LEU A 64 11.299 5.476 3.074 1.00 25.40 H new ATOM 0 HB3 LEU A 64 9.980 6.364 3.810 1.00 25.40 H new ATOM 0 HG LEU A 64 12.818 7.392 3.902 1.00 4.12 H new ATOM 0 HD11 LEU A 64 12.287 8.747 1.916 1.00 54.45 H new ATOM 0 HD12 LEU A 64 12.263 7.004 1.553 1.00 54.45 H new ATOM 0 HD13 LEU A 64 10.734 7.893 1.754 1.00 54.45 H new ATOM 0 HD21 LEU A 64 11.680 9.563 4.163 1.00 63.53 H new ATOM 0 HD22 LEU A 64 10.103 8.741 4.090 1.00 63.53 H new ATOM 0 HD23 LEU A 64 11.215 8.417 5.442 1.00 63.53 H new ATOM 910 N ILE A 65 9.889 3.859 6.192 1.00 60.33 N ATOM 911 CA ILE A 65 8.691 3.372 6.864 1.00 13.52 C ATOM 912 C ILE A 65 8.750 3.651 8.362 1.00 15.32 C ATOM 913 O ILE A 65 9.810 3.560 8.981 1.00 0.50 O ATOM 914 CB ILE A 65 8.495 1.861 6.642 1.00 15.11 C ATOM 915 CG1 ILE A 65 8.683 1.512 5.164 1.00 23.14 C ATOM 916 CG2 ILE A 65 7.117 1.430 7.122 1.00 32.31 C ATOM 917 CD1 ILE A 65 8.407 0.059 4.847 1.00 64.02 C ATOM 0 H ILE A 65 10.568 3.133 5.961 1.00 60.33 H new ATOM 0 HA ILE A 65 7.846 3.907 6.430 1.00 13.52 H new ATOM 0 HB ILE A 65 9.245 1.323 7.221 1.00 15.11 H new ATOM 0 HG12 ILE A 65 8.023 2.138 4.564 1.00 23.14 H new ATOM 0 HG13 ILE A 65 9.705 1.752 4.869 1.00 23.14 H new ATOM 0 HG21 ILE A 65 6.993 0.359 6.959 1.00 32.31 H new ATOM 0 HG22 ILE A 65 7.017 1.649 8.185 1.00 32.31 H new ATOM 0 HG23 ILE A 65 6.352 1.973 6.567 1.00 32.31 H new ATOM 0 HD11 ILE A 65 8.560 -0.116 3.782 1.00 64.02 H new ATOM 0 HD12 ILE A 65 9.085 -0.574 5.420 1.00 64.02 H new ATOM 0 HD13 ILE A 65 7.377 -0.182 5.110 1.00 64.02 H new ATOM 929 N LYS A 66 7.602 3.990 8.941 1.00 63.11 N ATOM 930 CA LYS A 66 7.521 4.279 10.368 1.00 54.34 C ATOM 931 C LYS A 66 7.468 2.991 11.182 1.00 32.30 C ATOM 932 O LYS A 66 7.392 3.024 12.410 1.00 13.43 O ATOM 933 CB LYS A 66 6.287 5.134 10.666 1.00 50.54 C ATOM 934 CG LYS A 66 6.099 6.289 9.697 1.00 11.20 C ATOM 935 CD LYS A 66 7.207 7.319 9.835 1.00 4.23 C ATOM 936 CE LYS A 66 8.039 7.417 8.565 1.00 13.44 C ATOM 937 NZ LYS A 66 9.253 8.257 8.761 1.00 62.51 N ATOM 0 H LYS A 66 6.715 4.071 8.443 1.00 63.11 H new ATOM 0 HA LYS A 66 8.416 4.831 10.653 1.00 54.34 H new ATOM 0 HB2 LYS A 66 5.401 4.500 10.639 1.00 50.54 H new ATOM 0 HB3 LYS A 66 6.365 5.529 11.679 1.00 50.54 H new ATOM 0 HG2 LYS A 66 6.080 5.909 8.676 1.00 11.20 H new ATOM 0 HG3 LYS A 66 5.135 6.764 9.878 1.00 11.20 H new ATOM 0 HD2 LYS A 66 6.774 8.293 10.063 1.00 4.23 H new ATOM 0 HD3 LYS A 66 7.851 7.052 10.673 1.00 4.23 H new ATOM 0 HE2 LYS A 66 8.336 6.418 8.248 1.00 13.44 H new ATOM 0 HE3 LYS A 66 7.431 7.838 7.764 1.00 13.44 H new ATOM 0 HZ1 LYS A 66 9.793 8.299 7.873 1.00 62.51 H new ATOM 0 HZ2 LYS A 66 8.969 9.218 9.039 1.00 62.51 H new ATOM 0 HZ3 LYS A 66 9.846 7.841 9.508 1.00 62.51 H new ATOM 951 N ARG A 67 7.510 1.857 10.490 1.00 31.33 N ATOM 952 CA ARG A 67 7.467 0.557 11.150 1.00 41.30 C ATOM 953 C ARG A 67 8.763 -0.214 10.916 1.00 74.31 C ATOM 954 O ARG A 67 8.867 -1.391 11.260 1.00 3.31 O ATOM 955 CB ARG A 67 6.277 -0.258 10.641 1.00 14.23 C ATOM 956 CG ARG A 67 4.941 0.195 11.210 1.00 65.52 C ATOM 957 CD ARG A 67 4.402 1.407 10.468 1.00 43.42 C ATOM 958 NE ARG A 67 3.140 1.119 9.793 1.00 53.34 N ATOM 959 CZ ARG A 67 2.560 1.949 8.932 1.00 3.23 C ATOM 960 NH1 ARG A 67 3.128 3.112 8.644 1.00 55.34 N ATOM 961 NH2 ARG A 67 1.411 1.616 8.358 1.00 23.14 N ATOM 0 H ARG A 67 7.574 1.812 9.473 1.00 31.33 H new ATOM 0 HA ARG A 67 7.352 0.724 12.221 1.00 41.30 H new ATOM 0 HB2 ARG A 67 6.241 -0.192 9.554 1.00 14.23 H new ATOM 0 HB3 ARG A 67 6.432 -1.307 10.892 1.00 14.23 H new ATOM 0 HG2 ARG A 67 4.222 -0.621 11.146 1.00 65.52 H new ATOM 0 HG3 ARG A 67 5.057 0.436 12.267 1.00 65.52 H new ATOM 0 HD2 ARG A 67 4.258 2.228 11.171 1.00 43.42 H new ATOM 0 HD3 ARG A 67 5.137 1.740 9.735 1.00 43.42 H new ATOM 0 HE ARG A 67 2.678 0.232 9.993 1.00 53.34 H new ATOM 0 HH11 ARG A 67 4.011 3.371 9.083 1.00 55.34 H new ATOM 0 HH12 ARG A 67 2.682 3.748 7.983 1.00 55.34 H new ATOM 0 HH21 ARG A 67 0.972 0.722 8.577 1.00 23.14 H new ATOM 0 HH22 ARG A 67 0.967 2.254 7.697 1.00 23.14 H new ATOM 975 N GLY A 68 9.748 0.458 10.327 1.00 34.52 N ATOM 976 CA GLY A 68 11.023 -0.181 10.056 1.00 15.35 C ATOM 977 C GLY A 68 11.181 -0.565 8.599 1.00 53.33 C ATOM 978 O GLY A 68 12.295 -0.788 8.126 1.00 2.12 O ATOM 0 H GLY A 68 9.686 1.433 10.033 1.00 34.52 H new ATOM 0 HA2 GLY A 68 11.831 0.493 10.341 1.00 15.35 H new ATOM 0 HA3 GLY A 68 11.118 -1.073 10.676 1.00 15.35 H new TER 982 GLY A 68