USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=15 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+ -168:sc= -0.0359 (180deg=-0.238) USER MOD Single : A 6 SER OG : rot 180:sc= -0.615 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 164:sc= -2.74 (180deg=-3.89) 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=-0.23) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 100:sc= -1.63 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -148:sc= -0.604 (180deg=-2.7!) USER MOD Single : A 31 GLN : amide:sc= -4.21! C(o=-4.2!,f=-9.6!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0161 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+ 156:sc= -0.193 (180deg=-0.802) 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=-0.00137 X(o=-0.0014,f=-0.17) USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.058) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.529 -1.107 2.336 1.00 0.01 N ATOM 2 CA MET A 1 2.301 -1.888 2.252 1.00 34.45 C ATOM 3 C MET A 1 2.383 -2.913 1.125 1.00 4.41 C ATOM 4 O MET A 1 1.764 -3.974 1.192 1.00 72.42 O ATOM 5 CB MET A 1 1.099 -0.967 2.033 1.00 31.31 C ATOM 6 CG MET A 1 -0.118 -1.349 2.860 1.00 12.20 C ATOM 7 SD MET A 1 -0.668 -0.016 3.943 1.00 24.11 S ATOM 8 CE MET A 1 -2.007 -0.821 4.818 1.00 31.31 C ATOM 0 H1 MET A 1 3.535 -0.564 3.223 1.00 0.01 H new ATOM 0 H2 MET A 1 4.349 -1.746 2.315 1.00 0.01 H new ATOM 0 H3 MET A 1 3.580 -0.452 1.529 1.00 0.01 H new ATOM 0 HA MET A 1 2.175 -2.421 3.195 1.00 34.45 H new ATOM 0 HB2 MET A 1 1.387 0.056 2.276 1.00 31.31 H new ATOM 0 HB3 MET A 1 0.829 -0.980 0.977 1.00 31.31 H new ATOM 0 HG2 MET A 1 -0.933 -1.629 2.192 1.00 12.20 H new ATOM 0 HG3 MET A 1 0.117 -2.227 3.462 1.00 12.20 H new ATOM 0 HE1 MET A 1 -2.450 -0.122 5.527 1.00 31.31 H new ATOM 0 HE2 MET A 1 -2.765 -1.144 4.105 1.00 31.31 H new ATOM 0 HE3 MET A 1 -1.622 -1.688 5.355 1.00 31.31 H new ATOM 18 N ASP A 2 3.152 -2.587 0.091 1.00 14.04 N ATOM 19 CA ASP A 2 3.316 -3.479 -1.050 1.00 73.42 C ATOM 20 C ASP A 2 4.702 -3.323 -1.667 1.00 50.24 C ATOM 21 O ASP A 2 5.260 -2.225 -1.694 1.00 74.23 O ATOM 22 CB ASP A 2 2.241 -3.200 -2.102 1.00 0.30 C ATOM 23 CG ASP A 2 1.901 -4.428 -2.923 1.00 33.02 C ATOM 24 OD1 ASP A 2 0.697 -4.688 -3.131 1.00 70.11 O ATOM 25 OD2 ASP A 2 2.838 -5.129 -3.358 1.00 2.23 O ATOM 0 H ASP A 2 3.671 -1.712 0.020 1.00 14.04 H new ATOM 0 HA ASP A 2 3.209 -4.504 -0.696 1.00 73.42 H new ATOM 0 HB2 ASP A 2 1.340 -2.836 -1.609 1.00 0.30 H new ATOM 0 HB3 ASP A 2 2.584 -2.406 -2.766 1.00 0.30 H new ATOM 30 N ILE A 3 5.252 -4.427 -2.161 1.00 5.12 N ATOM 31 CA ILE A 3 6.573 -4.412 -2.777 1.00 42.43 C ATOM 32 C ILE A 3 6.471 -4.457 -4.298 1.00 75.41 C ATOM 33 O ILE A 3 5.428 -4.811 -4.850 1.00 24.32 O ATOM 34 CB ILE A 3 7.433 -5.595 -2.296 1.00 72.52 C ATOM 35 CG1 ILE A 3 7.136 -5.906 -0.828 1.00 2.35 C ATOM 36 CG2 ILE A 3 8.911 -5.291 -2.491 1.00 15.42 C ATOM 37 CD1 ILE A 3 7.920 -7.081 -0.288 1.00 24.21 C ATOM 0 H ILE A 3 4.803 -5.343 -2.147 1.00 5.12 H new ATOM 0 HA ILE A 3 7.051 -3.480 -2.475 1.00 42.43 H new ATOM 0 HB ILE A 3 7.182 -6.473 -2.892 1.00 72.52 H new ATOM 0 HG12 ILE A 3 7.358 -5.025 -0.226 1.00 2.35 H new ATOM 0 HG13 ILE A 3 6.071 -6.108 -0.716 1.00 2.35 H new ATOM 0 HG21 ILE A 3 9.505 -6.137 -2.146 1.00 15.42 H new ATOM 0 HG22 ILE A 3 9.110 -5.115 -3.548 1.00 15.42 H new ATOM 0 HG23 ILE A 3 9.178 -4.403 -1.919 1.00 15.42 H new ATOM 0 HD11 ILE A 3 7.659 -7.243 0.758 1.00 24.21 H new ATOM 0 HD12 ILE A 3 7.680 -7.974 -0.865 1.00 24.21 H new ATOM 0 HD13 ILE A 3 8.987 -6.874 -0.367 1.00 24.21 H new ATOM 49 N ASP A 4 7.559 -4.099 -4.970 1.00 10.21 N ATOM 50 CA ASP A 4 7.593 -4.102 -6.428 1.00 1.42 C ATOM 51 C ASP A 4 9.024 -4.247 -6.938 1.00 34.34 C ATOM 52 O ASP A 4 9.929 -3.544 -6.488 1.00 55.33 O ATOM 53 CB ASP A 4 6.972 -2.816 -6.976 1.00 75.32 C ATOM 54 CG ASP A 4 5.462 -2.799 -6.839 1.00 72.02 C ATOM 55 OD1 ASP A 4 4.947 -1.980 -6.049 1.00 33.30 O ATOM 56 OD2 ASP A 4 4.795 -3.604 -7.523 1.00 2.42 O ATOM 0 H ASP A 4 8.430 -3.803 -4.529 1.00 10.21 H new ATOM 0 HA ASP A 4 7.013 -4.955 -6.779 1.00 1.42 H new ATOM 0 HB2 ASP A 4 7.392 -1.960 -6.448 1.00 75.32 H new ATOM 0 HB3 ASP A 4 7.240 -2.705 -8.027 1.00 75.32 H new ATOM 61 N PHE A 5 9.221 -5.166 -7.878 1.00 14.25 N ATOM 62 CA PHE A 5 10.541 -5.406 -8.447 1.00 45.41 C ATOM 63 C PHE A 5 10.886 -4.345 -9.488 1.00 54.52 C ATOM 64 O PHE A 5 12.014 -3.856 -9.543 1.00 23.21 O ATOM 65 CB PHE A 5 10.602 -6.797 -9.081 1.00 52.12 C ATOM 66 CG PHE A 5 11.922 -7.104 -9.729 1.00 53.52 C ATOM 67 CD1 PHE A 5 13.085 -7.140 -8.978 1.00 44.11 C ATOM 68 CD2 PHE A 5 11.999 -7.355 -11.090 1.00 13.04 C ATOM 69 CE1 PHE A 5 14.302 -7.422 -9.571 1.00 74.12 C ATOM 70 CE2 PHE A 5 13.212 -7.638 -11.688 1.00 72.20 C ATOM 71 CZ PHE A 5 14.365 -7.671 -10.928 1.00 52.42 C ATOM 0 H PHE A 5 8.483 -5.756 -8.261 1.00 14.25 H new ATOM 0 HA PHE A 5 11.272 -5.350 -7.640 1.00 45.41 H new ATOM 0 HB2 PHE A 5 10.400 -7.546 -8.315 1.00 52.12 H new ATOM 0 HB3 PHE A 5 9.812 -6.882 -9.827 1.00 52.12 H new ATOM 0 HD1 PHE A 5 13.041 -6.946 -7.917 1.00 44.11 H new ATOM 0 HD2 PHE A 5 11.101 -7.329 -11.690 1.00 13.04 H new ATOM 0 HE1 PHE A 5 15.202 -7.447 -8.974 1.00 74.12 H new ATOM 0 HE2 PHE A 5 13.259 -7.833 -12.749 1.00 72.20 H new ATOM 0 HZ PHE A 5 15.314 -7.891 -11.394 1.00 52.42 H new ATOM 81 N SER A 6 9.904 -3.993 -10.313 1.00 63.10 N ATOM 82 CA SER A 6 10.103 -2.993 -11.356 1.00 24.43 C ATOM 83 C SER A 6 9.746 -1.600 -10.848 1.00 0.13 C ATOM 84 O SER A 6 8.579 -1.297 -10.598 1.00 32.03 O ATOM 85 CB SER A 6 9.258 -3.333 -12.585 1.00 43.30 C ATOM 86 OG SER A 6 9.432 -2.366 -13.606 1.00 41.42 O ATOM 0 H SER A 6 8.963 -4.385 -10.279 1.00 63.10 H new ATOM 0 HA SER A 6 11.157 -2.999 -11.635 1.00 24.43 H new ATOM 0 HB2 SER A 6 9.536 -4.318 -12.961 1.00 43.30 H new ATOM 0 HB3 SER A 6 8.206 -3.385 -12.304 1.00 43.30 H new ATOM 0 HG SER A 6 8.883 -2.606 -14.381 1.00 41.42 H new ATOM 92 N THR A 7 10.760 -0.754 -10.697 1.00 3.33 N ATOM 93 CA THR A 7 10.555 0.607 -10.218 1.00 3.44 C ATOM 94 C THR A 7 11.551 1.570 -10.855 1.00 14.34 C ATOM 95 O THR A 7 11.728 2.696 -10.387 1.00 73.40 O ATOM 96 CB THR A 7 10.688 0.689 -8.685 1.00 52.41 C ATOM 97 OG1 THR A 7 11.491 -0.394 -8.204 1.00 70.12 O ATOM 98 CG2 THR A 7 9.320 0.647 -8.021 1.00 0.34 C ATOM 0 H THR A 7 11.732 -0.988 -10.900 1.00 3.33 H new ATOM 0 HA THR A 7 9.543 0.894 -10.504 1.00 3.44 H new ATOM 0 HB THR A 7 11.168 1.635 -8.434 1.00 52.41 H new ATOM 0 HG1 THR A 7 11.572 -0.333 -7.229 1.00 70.12 H new ATOM 0 HG21 THR A 7 9.439 0.706 -6.939 1.00 0.34 H new ATOM 0 HG22 THR A 7 8.722 1.490 -8.367 1.00 0.34 H new ATOM 0 HG23 THR A 7 8.818 -0.285 -8.280 1.00 0.34 H new ATOM 106 N CYS A 8 12.198 1.122 -11.925 1.00 3.12 N ATOM 107 CA CYS A 8 13.176 1.944 -12.627 1.00 63.02 C ATOM 108 C CYS A 8 13.000 1.827 -14.138 1.00 41.14 C ATOM 109 O CYS A 8 12.465 0.837 -14.637 1.00 11.25 O ATOM 110 CB CYS A 8 14.596 1.531 -12.235 1.00 3.12 C ATOM 111 SG CYS A 8 15.843 2.838 -12.472 1.00 11.14 S ATOM 0 H CYS A 8 12.063 0.194 -12.325 1.00 3.12 H new ATOM 0 HA CYS A 8 13.014 2.983 -12.339 1.00 63.02 H new ATOM 0 HB2 CYS A 8 14.599 1.227 -11.188 1.00 3.12 H new ATOM 0 HB3 CYS A 8 14.884 0.658 -12.821 1.00 3.12 H new ATOM 116 N ALA A 9 13.455 2.845 -14.862 1.00 55.00 N ATOM 117 CA ALA A 9 13.349 2.856 -16.316 1.00 25.22 C ATOM 118 C ALA A 9 14.312 1.853 -16.943 1.00 42.42 C ATOM 119 O ALA A 9 14.194 1.520 -18.122 1.00 64.24 O ATOM 120 CB ALA A 9 13.616 4.254 -16.854 1.00 33.02 C ATOM 0 H ALA A 9 13.900 3.672 -14.465 1.00 55.00 H new ATOM 0 HA ALA A 9 12.334 2.563 -16.585 1.00 25.22 H new ATOM 0 HB1 ALA A 9 13.534 4.247 -17.941 1.00 33.02 H new ATOM 0 HB2 ALA A 9 12.886 4.949 -16.439 1.00 33.02 H new ATOM 0 HB3 ALA A 9 14.620 4.568 -16.568 1.00 33.02 H new ATOM 126 N ARG A 10 15.265 1.377 -16.148 1.00 15.10 N ATOM 127 CA ARG A 10 16.249 0.414 -16.627 1.00 12.03 C ATOM 128 C ARG A 10 15.786 -1.015 -16.358 1.00 63.13 C ATOM 129 O ARG A 10 16.601 -1.930 -16.242 1.00 41.01 O ATOM 130 CB ARG A 10 17.601 0.658 -15.955 1.00 4.40 C ATOM 131 CG ARG A 10 18.032 2.116 -15.965 1.00 70.01 C ATOM 132 CD ARG A 10 18.247 2.623 -17.382 1.00 50.54 C ATOM 133 NE ARG A 10 19.515 3.335 -17.523 1.00 31.43 N ATOM 134 CZ ARG A 10 19.908 3.922 -18.648 1.00 33.43 C ATOM 135 NH1 ARG A 10 19.135 3.883 -19.724 1.00 60.34 N ATOM 136 NH2 ARG A 10 21.076 4.550 -18.697 1.00 75.30 N ATOM 0 H ARG A 10 15.376 1.643 -15.170 1.00 15.10 H new ATOM 0 HA ARG A 10 16.357 0.547 -17.704 1.00 12.03 H new ATOM 0 HB2 ARG A 10 17.553 0.309 -14.923 1.00 4.40 H new ATOM 0 HB3 ARG A 10 18.361 0.060 -16.458 1.00 4.40 H new ATOM 0 HG2 ARG A 10 17.274 2.724 -15.471 1.00 70.01 H new ATOM 0 HG3 ARG A 10 18.953 2.228 -15.393 1.00 70.01 H new ATOM 0 HD2 ARG A 10 18.225 1.782 -18.075 1.00 50.54 H new ATOM 0 HD3 ARG A 10 17.427 3.286 -17.658 1.00 50.54 H new ATOM 0 HE ARG A 10 20.133 3.384 -16.713 1.00 31.43 H new ATOM 0 HH11 ARG A 10 18.236 3.402 -19.689 1.00 60.34 H new ATOM 0 HH12 ARG A 10 19.439 4.334 -20.587 1.00 60.34 H new ATOM 0 HH21 ARG A 10 21.673 4.582 -17.870 1.00 75.30 H new ATOM 0 HH22 ARG A 10 21.377 5.000 -19.561 1.00 75.30 H new ATOM 150 N MET A 11 14.474 -1.198 -16.261 1.00 34.24 N ATOM 151 CA MET A 11 13.903 -2.516 -16.007 1.00 21.05 C ATOM 152 C MET A 11 13.786 -3.316 -17.300 1.00 20.31 C ATOM 153 O MET A 11 14.519 -4.283 -17.511 1.00 50.44 O ATOM 154 CB MET A 11 12.528 -2.382 -15.350 1.00 11.02 C ATOM 155 CG MET A 11 12.509 -2.801 -13.889 1.00 33.32 C ATOM 156 SD MET A 11 12.240 -4.572 -13.678 1.00 1.32 S ATOM 157 CE MET A 11 13.860 -5.212 -14.095 1.00 1.15 C ATOM 0 H MET A 11 13.786 -0.451 -16.354 1.00 34.24 H new ATOM 0 HA MET A 11 14.570 -3.049 -15.330 1.00 21.05 H new ATOM 0 HB2 MET A 11 12.197 -1.346 -15.427 1.00 11.02 H new ATOM 0 HB3 MET A 11 11.810 -2.988 -15.903 1.00 11.02 H new ATOM 0 HG2 MET A 11 13.454 -2.523 -13.423 1.00 33.32 H new ATOM 0 HG3 MET A 11 11.724 -2.253 -13.368 1.00 33.32 H new ATOM 0 HE1 MET A 11 13.945 -6.241 -13.746 1.00 1.15 H new ATOM 0 HE2 MET A 11 13.996 -5.183 -15.176 1.00 1.15 H new ATOM 0 HE3 MET A 11 14.626 -4.602 -13.617 1.00 1.15 H new ATOM 167 N ASP A 12 12.860 -2.908 -18.161 1.00 24.20 N ATOM 168 CA ASP A 12 12.648 -3.587 -19.434 1.00 62.01 C ATOM 169 C ASP A 12 11.967 -2.661 -20.437 1.00 12.03 C ATOM 170 O ASP A 12 12.292 -2.667 -21.624 1.00 21.10 O ATOM 171 CB ASP A 12 11.805 -4.847 -19.230 1.00 65.03 C ATOM 172 CG ASP A 12 12.295 -6.012 -20.068 1.00 34.43 C ATOM 173 OD1 ASP A 12 12.676 -5.786 -21.235 1.00 40.32 O ATOM 174 OD2 ASP A 12 12.297 -7.151 -19.555 1.00 51.12 O ATOM 0 H ASP A 12 12.244 -2.111 -18.001 1.00 24.20 H new ATOM 0 HA ASP A 12 13.622 -3.871 -19.833 1.00 62.01 H new ATOM 0 HB2 ASP A 12 11.824 -5.127 -18.177 1.00 65.03 H new ATOM 0 HB3 ASP A 12 10.767 -4.632 -19.484 1.00 65.03 H new ATOM 179 N VAL A 13 11.018 -1.866 -19.951 1.00 25.22 N ATOM 180 CA VAL A 13 10.291 -0.934 -20.804 1.00 72.30 C ATOM 181 C VAL A 13 10.656 0.509 -20.478 1.00 12.44 C ATOM 182 O VAL A 13 9.930 1.217 -19.779 1.00 34.21 O ATOM 183 CB VAL A 13 8.768 -1.113 -20.659 1.00 12.41 C ATOM 184 CG1 VAL A 13 8.306 -2.370 -21.380 1.00 50.43 C ATOM 185 CG2 VAL A 13 8.374 -1.156 -19.190 1.00 65.10 C ATOM 0 H VAL A 13 10.735 -1.849 -18.971 1.00 25.22 H new ATOM 0 HA VAL A 13 10.579 -1.154 -21.832 1.00 72.30 H new ATOM 0 HB VAL A 13 8.274 -0.257 -21.119 1.00 12.41 H new ATOM 0 HG11 VAL A 13 7.227 -2.479 -21.266 1.00 50.43 H new ATOM 0 HG12 VAL A 13 8.553 -2.294 -22.439 1.00 50.43 H new ATOM 0 HG13 VAL A 13 8.806 -3.239 -20.952 1.00 50.43 H new ATOM 0 HG21 VAL A 13 7.295 -1.283 -19.106 1.00 65.10 H new ATOM 0 HG22 VAL A 13 8.876 -1.992 -18.703 1.00 65.10 H new ATOM 0 HG23 VAL A 13 8.668 -0.224 -18.707 1.00 65.10 H new ATOM 195 N PRO A 14 11.809 0.960 -20.995 1.00 35.32 N ATOM 196 CA PRO A 14 12.296 2.324 -20.773 1.00 3.12 C ATOM 197 C PRO A 14 11.451 3.367 -21.496 1.00 71.11 C ATOM 198 O PRO A 14 11.627 4.569 -21.297 1.00 4.10 O ATOM 199 CB PRO A 14 13.714 2.292 -21.349 1.00 1.12 C ATOM 200 CG PRO A 14 13.687 1.200 -22.362 1.00 53.52 C ATOM 201 CD PRO A 14 12.724 0.172 -21.837 1.00 22.43 C ATOM 0 HA PRO A 14 12.254 2.605 -19.721 1.00 3.12 H new ATOM 0 HB2 PRO A 14 13.978 3.247 -21.803 1.00 1.12 H new ATOM 0 HB3 PRO A 14 14.452 2.093 -20.572 1.00 1.12 H new ATOM 0 HG2 PRO A 14 13.365 1.576 -23.333 1.00 53.52 H new ATOM 0 HG3 PRO A 14 14.679 0.771 -22.500 1.00 53.52 H new ATOM 0 HD2 PRO A 14 12.193 -0.331 -22.645 1.00 22.43 H new ATOM 0 HD3 PRO A 14 13.235 -0.600 -21.262 1.00 22.43 H new ATOM 209 N ILE A 15 10.533 2.899 -22.335 1.00 51.01 N ATOM 210 CA ILE A 15 9.660 3.792 -23.086 1.00 55.04 C ATOM 211 C ILE A 15 8.983 4.802 -22.166 1.00 0.12 C ATOM 212 O ILE A 15 8.677 5.923 -22.574 1.00 44.41 O ATOM 213 CB ILE A 15 8.578 3.008 -23.853 1.00 11.11 C ATOM 214 CG1 ILE A 15 9.224 1.960 -24.761 1.00 21.20 C ATOM 215 CG2 ILE A 15 7.711 3.958 -24.665 1.00 52.32 C ATOM 216 CD1 ILE A 15 10.198 2.544 -25.760 1.00 60.23 C ATOM 0 H ILE A 15 10.375 1.907 -22.512 1.00 51.01 H new ATOM 0 HA ILE A 15 10.290 4.321 -23.801 1.00 55.04 H new ATOM 0 HB ILE A 15 7.943 2.494 -23.132 1.00 11.11 H new ATOM 0 HG12 ILE A 15 9.744 1.228 -24.144 1.00 21.20 H new ATOM 0 HG13 ILE A 15 8.441 1.425 -25.299 1.00 21.20 H new ATOM 0 HG21 ILE A 15 6.951 3.389 -25.201 1.00 52.32 H new ATOM 0 HG22 ILE A 15 7.227 4.670 -23.997 1.00 52.32 H new ATOM 0 HG23 ILE A 15 8.333 4.497 -25.380 1.00 52.32 H new ATOM 0 HD11 ILE A 15 10.617 1.744 -26.370 1.00 60.23 H new ATOM 0 HD12 ILE A 15 9.678 3.255 -26.402 1.00 60.23 H new ATOM 0 HD13 ILE A 15 11.001 3.055 -25.229 1.00 60.23 H new ATOM 228 N LEU A 16 8.753 4.399 -20.921 1.00 62.42 N ATOM 229 CA LEU A 16 8.114 5.269 -19.940 1.00 43.24 C ATOM 230 C LEU A 16 9.056 5.563 -18.777 1.00 65.33 C ATOM 231 O LEU A 16 8.760 5.240 -17.627 1.00 14.33 O ATOM 232 CB LEU A 16 6.828 4.626 -19.420 1.00 31.23 C ATOM 233 CG LEU A 16 5.659 4.571 -20.404 1.00 31.22 C ATOM 234 CD1 LEU A 16 4.687 3.466 -20.018 1.00 4.45 C ATOM 235 CD2 LEU A 16 4.947 5.914 -20.461 1.00 54.25 C ATOM 0 H LEU A 16 9.000 3.475 -20.567 1.00 62.42 H new ATOM 0 HA LEU A 16 7.869 6.211 -20.431 1.00 43.24 H new ATOM 0 HB2 LEU A 16 7.057 3.609 -19.102 1.00 31.23 H new ATOM 0 HB3 LEU A 16 6.505 5.172 -18.534 1.00 31.23 H new ATOM 0 HG LEU A 16 6.054 4.349 -21.395 1.00 31.22 H new ATOM 0 HD11 LEU A 16 3.862 3.442 -20.730 1.00 4.45 H new ATOM 0 HD12 LEU A 16 5.204 2.506 -20.030 1.00 4.45 H new ATOM 0 HD13 LEU A 16 4.298 3.657 -19.018 1.00 4.45 H new ATOM 0 HD21 LEU A 16 4.118 5.857 -21.166 1.00 54.25 H new ATOM 0 HD22 LEU A 16 4.565 6.166 -19.472 1.00 54.25 H new ATOM 0 HD23 LEU A 16 5.647 6.684 -20.786 1.00 54.25 H new ATOM 247 N LYS A 17 10.193 6.178 -19.084 1.00 42.24 N ATOM 248 CA LYS A 17 11.179 6.519 -18.065 1.00 53.43 C ATOM 249 C LYS A 17 10.558 7.392 -16.979 1.00 42.31 C ATOM 250 O LYS A 17 10.754 7.152 -15.788 1.00 33.24 O ATOM 251 CB LYS A 17 12.368 7.244 -18.699 1.00 42.12 C ATOM 252 CG LYS A 17 13.274 6.333 -19.510 1.00 11.04 C ATOM 253 CD LYS A 17 13.414 6.818 -20.943 1.00 23.22 C ATOM 254 CE LYS A 17 14.250 5.858 -21.776 1.00 54.35 C ATOM 255 NZ LYS A 17 15.346 6.561 -22.499 1.00 21.05 N ATOM 0 H LYS A 17 10.455 6.451 -20.031 1.00 42.24 H new ATOM 0 HA LYS A 17 11.528 5.593 -17.608 1.00 53.43 H new ATOM 0 HB2 LYS A 17 11.996 8.040 -19.344 1.00 42.12 H new ATOM 0 HB3 LYS A 17 12.954 7.719 -17.913 1.00 42.12 H new ATOM 0 HG2 LYS A 17 14.258 6.287 -19.043 1.00 11.04 H new ATOM 0 HG3 LYS A 17 12.871 5.320 -19.505 1.00 11.04 H new ATOM 0 HD2 LYS A 17 12.426 6.924 -21.391 1.00 23.22 H new ATOM 0 HD3 LYS A 17 13.876 7.805 -20.951 1.00 23.22 H new ATOM 0 HE2 LYS A 17 14.675 5.091 -21.129 1.00 54.35 H new ATOM 0 HE3 LYS A 17 13.609 5.348 -22.495 1.00 54.35 H new ATOM 0 HZ1 LYS A 17 15.893 5.873 -23.055 1.00 21.05 H new ATOM 0 HZ2 LYS A 17 14.939 7.276 -23.136 1.00 21.05 H new ATOM 0 HZ3 LYS A 17 15.973 7.026 -21.812 1.00 21.05 H new ATOM 269 N LYS A 18 9.808 8.406 -17.398 1.00 2.13 N ATOM 270 CA LYS A 18 9.156 9.314 -16.461 1.00 61.23 C ATOM 271 C LYS A 18 8.270 8.545 -15.486 1.00 53.25 C ATOM 272 O LYS A 18 8.177 8.894 -14.310 1.00 53.41 O ATOM 273 CB LYS A 18 8.321 10.348 -17.219 1.00 42.25 C ATOM 274 CG LYS A 18 8.222 11.688 -16.510 1.00 75.41 C ATOM 275 CD LYS A 18 7.490 12.715 -17.358 1.00 21.30 C ATOM 276 CE LYS A 18 8.120 14.093 -17.230 1.00 12.30 C ATOM 277 NZ LYS A 18 7.886 14.687 -15.885 1.00 11.24 N ATOM 0 H LYS A 18 9.637 8.620 -18.381 1.00 2.13 H new ATOM 0 HA LYS A 18 9.931 9.828 -15.892 1.00 61.23 H new ATOM 0 HB2 LYS A 18 8.756 10.500 -18.207 1.00 42.25 H new ATOM 0 HB3 LYS A 18 7.317 9.951 -17.370 1.00 42.25 H new ATOM 0 HG2 LYS A 18 7.701 11.561 -15.561 1.00 75.41 H new ATOM 0 HG3 LYS A 18 9.223 12.053 -16.278 1.00 75.41 H new ATOM 0 HD2 LYS A 18 7.504 12.403 -18.402 1.00 21.30 H new ATOM 0 HD3 LYS A 18 6.445 12.762 -17.053 1.00 21.30 H new ATOM 0 HE2 LYS A 18 9.192 14.021 -17.414 1.00 12.30 H new ATOM 0 HE3 LYS A 18 7.709 14.752 -17.995 1.00 12.30 H new ATOM 0 HZ1 LYS A 18 8.331 15.626 -15.838 1.00 11.24 H new ATOM 0 HZ2 LYS A 18 6.863 14.780 -15.720 1.00 11.24 H new ATOM 0 HZ3 LYS A 18 8.300 14.071 -15.157 1.00 11.24 H new ATOM 291 N ALA A 19 7.622 7.497 -15.983 1.00 74.25 N ATOM 292 CA ALA A 19 6.746 6.677 -15.155 1.00 51.22 C ATOM 293 C ALA A 19 7.551 5.835 -14.172 1.00 20.24 C ATOM 294 O ALA A 19 7.221 5.761 -12.988 1.00 45.12 O ATOM 295 CB ALA A 19 5.876 5.785 -16.029 1.00 3.13 C ATOM 0 H ALA A 19 7.687 7.196 -16.955 1.00 74.25 H new ATOM 0 HA ALA A 19 6.102 7.343 -14.580 1.00 51.22 H new ATOM 0 HB1 ALA A 19 5.227 5.178 -15.397 1.00 3.13 H new ATOM 0 HB2 ALA A 19 5.266 6.404 -16.687 1.00 3.13 H new ATOM 0 HB3 ALA A 19 6.511 5.133 -16.629 1.00 3.13 H new ATOM 301 N ALA A 20 8.607 5.200 -14.669 1.00 44.43 N ATOM 302 CA ALA A 20 9.460 4.364 -13.834 1.00 0.14 C ATOM 303 C ALA A 20 10.137 5.187 -12.743 1.00 43.43 C ATOM 304 O ALA A 20 10.157 4.793 -11.578 1.00 30.12 O ATOM 305 CB ALA A 20 10.502 3.655 -14.686 1.00 32.31 C ATOM 0 H ALA A 20 8.892 5.249 -15.647 1.00 44.43 H new ATOM 0 HA ALA A 20 8.832 3.616 -13.351 1.00 0.14 H new ATOM 0 HB1 ALA A 20 11.132 3.034 -14.049 1.00 32.31 H new ATOM 0 HB2 ALA A 20 10.003 3.028 -15.424 1.00 32.31 H new ATOM 0 HB3 ALA A 20 11.119 4.394 -15.196 1.00 32.31 H new ATOM 311 N GLN A 21 10.691 6.332 -13.130 1.00 65.24 N ATOM 312 CA GLN A 21 11.371 7.209 -12.185 1.00 0.33 C ATOM 313 C GLN A 21 10.380 7.818 -11.198 1.00 21.20 C ATOM 314 O GLN A 21 10.727 8.108 -10.054 1.00 12.01 O ATOM 315 CB GLN A 21 12.114 8.320 -12.930 1.00 31.50 C ATOM 316 CG GLN A 21 13.617 8.105 -13.000 1.00 2.13 C ATOM 317 CD GLN A 21 14.281 8.968 -14.055 1.00 24.43 C ATOM 318 OE1 GLN A 21 13.853 10.093 -14.314 1.00 33.54 O ATOM 319 NE2 GLN A 21 15.335 8.444 -14.670 1.00 50.15 N ATOM 0 H GLN A 21 10.682 6.673 -14.091 1.00 65.24 H new ATOM 0 HA GLN A 21 12.091 6.611 -11.627 1.00 0.33 H new ATOM 0 HB2 GLN A 21 11.718 8.394 -13.943 1.00 31.50 H new ATOM 0 HB3 GLN A 21 11.914 9.272 -12.439 1.00 31.50 H new ATOM 0 HG2 GLN A 21 14.057 8.324 -12.027 1.00 2.13 H new ATOM 0 HG3 GLN A 21 13.821 7.056 -13.213 1.00 2.13 H new ATOM 0 HE21 GLN A 21 15.656 7.508 -14.424 1.00 50.15 H new ATOM 0 HE22 GLN A 21 15.824 8.978 -15.389 1.00 50.15 H new ATOM 328 N GLY A 22 9.144 8.009 -11.650 1.00 21.14 N ATOM 329 CA GLY A 22 8.122 8.583 -10.794 1.00 20.51 C ATOM 330 C GLY A 22 7.950 7.813 -9.500 1.00 24.55 C ATOM 331 O GLY A 22 7.567 8.381 -8.476 1.00 43.12 O ATOM 0 H GLY A 22 8.832 7.777 -12.593 1.00 21.14 H new ATOM 0 HA2 GLY A 22 8.382 9.617 -10.566 1.00 20.51 H new ATOM 0 HA3 GLY A 22 7.173 8.603 -11.330 1.00 20.51 H new ATOM 335 N LEU A 23 8.233 6.515 -9.543 1.00 54.20 N ATOM 336 CA LEU A 23 8.106 5.665 -8.365 1.00 31.34 C ATOM 337 C LEU A 23 9.229 5.941 -7.370 1.00 62.13 C ATOM 338 O LEU A 23 9.334 5.281 -6.336 1.00 72.21 O ATOM 339 CB LEU A 23 8.121 4.190 -8.772 1.00 12.25 C ATOM 340 CG LEU A 23 7.162 3.794 -9.895 1.00 42.32 C ATOM 341 CD1 LEU A 23 7.095 2.281 -10.031 1.00 41.12 C ATOM 342 CD2 LEU A 23 5.777 4.371 -9.642 1.00 71.22 C ATOM 0 H LEU A 23 8.552 6.029 -10.381 1.00 54.20 H new ATOM 0 HA LEU A 23 7.155 5.893 -7.884 1.00 31.34 H new ATOM 0 HB2 LEU A 23 9.134 3.928 -9.077 1.00 12.25 H new ATOM 0 HB3 LEU A 23 7.888 3.589 -7.893 1.00 12.25 H new ATOM 0 HG LEU A 23 7.539 4.206 -10.831 1.00 42.32 H new ATOM 0 HD11 LEU A 23 6.408 2.018 -10.835 1.00 41.12 H new ATOM 0 HD12 LEU A 23 8.087 1.892 -10.260 1.00 41.12 H new ATOM 0 HD13 LEU A 23 6.742 1.847 -9.096 1.00 41.12 H new ATOM 0 HD21 LEU A 23 5.108 4.079 -10.451 1.00 71.22 H new ATOM 0 HD22 LEU A 23 5.391 3.990 -8.697 1.00 71.22 H new ATOM 0 HD23 LEU A 23 5.839 5.458 -9.597 1.00 71.22 H new ATOM 354 N CYS A 24 10.066 6.922 -7.689 1.00 45.22 N ATOM 355 CA CYS A 24 11.181 7.288 -6.824 1.00 44.21 C ATOM 356 C CYS A 24 11.083 8.750 -6.399 1.00 14.51 C ATOM 357 O CYS A 24 11.134 9.066 -5.210 1.00 5.42 O ATOM 358 CB CYS A 24 12.511 7.042 -7.539 1.00 43.44 C ATOM 359 SG CYS A 24 13.618 5.884 -6.673 1.00 63.42 S ATOM 0 H CYS A 24 9.993 7.478 -8.541 1.00 45.22 H new ATOM 0 HA CYS A 24 11.135 6.664 -5.931 1.00 44.21 H new ATOM 0 HB2 CYS A 24 12.308 6.656 -8.538 1.00 43.44 H new ATOM 0 HB3 CYS A 24 13.026 7.995 -7.664 1.00 43.44 H new ATOM 364 N ILE A 25 10.940 9.637 -7.378 1.00 40.21 N ATOM 365 CA ILE A 25 10.833 11.065 -7.105 1.00 73.04 C ATOM 366 C ILE A 25 9.545 11.386 -6.353 1.00 65.33 C ATOM 367 O ILE A 25 9.558 12.110 -5.357 1.00 45.04 O ATOM 368 CB ILE A 25 10.874 11.891 -8.405 1.00 23.04 C ATOM 369 CG1 ILE A 25 12.180 11.630 -9.159 1.00 74.10 C ATOM 370 CG2 ILE A 25 10.722 13.373 -8.095 1.00 62.22 C ATOM 371 CD1 ILE A 25 12.054 10.576 -10.237 1.00 1.10 C ATOM 0 H ILE A 25 10.896 9.392 -8.367 1.00 40.21 H new ATOM 0 HA ILE A 25 11.689 11.333 -6.486 1.00 73.04 H new ATOM 0 HB ILE A 25 10.042 11.585 -9.040 1.00 23.04 H new ATOM 0 HG12 ILE A 25 12.522 12.561 -9.611 1.00 74.10 H new ATOM 0 HG13 ILE A 25 12.946 11.321 -8.447 1.00 74.10 H new ATOM 0 HG21 ILE A 25 10.753 13.944 -9.023 1.00 62.22 H new ATOM 0 HG22 ILE A 25 9.769 13.544 -7.595 1.00 62.22 H new ATOM 0 HG23 ILE A 25 11.536 13.694 -7.444 1.00 62.22 H new ATOM 0 HD11 ILE A 25 13.017 10.443 -10.730 1.00 1.10 H new ATOM 0 HD12 ILE A 25 11.742 9.633 -9.789 1.00 1.10 H new ATOM 0 HD13 ILE A 25 11.312 10.892 -10.970 1.00 1.10 H new ATOM 383 N THR A 26 8.433 10.840 -6.835 1.00 41.14 N ATOM 384 CA THR A 26 7.137 11.067 -6.209 1.00 52.01 C ATOM 385 C THR A 26 6.991 10.245 -4.933 1.00 42.34 C ATOM 386 O THR A 26 6.410 10.705 -3.951 1.00 32.14 O ATOM 387 CB THR A 26 5.982 10.717 -7.166 1.00 54.41 C ATOM 388 OG1 THR A 26 5.286 11.909 -7.550 1.00 32.32 O ATOM 389 CG2 THR A 26 5.011 9.746 -6.511 1.00 43.00 C ATOM 0 H THR A 26 8.404 10.237 -7.657 1.00 41.14 H new ATOM 0 HA THR A 26 7.087 12.128 -5.963 1.00 52.01 H new ATOM 0 HB THR A 26 6.405 10.242 -8.051 1.00 54.41 H new ATOM 0 HG1 THR A 26 4.554 11.678 -8.160 1.00 32.32 H new ATOM 0 HG21 THR A 26 4.204 9.514 -7.206 1.00 43.00 H new ATOM 0 HG22 THR A 26 5.537 8.829 -6.246 1.00 43.00 H new ATOM 0 HG23 THR A 26 4.595 10.199 -5.611 1.00 43.00 H new ATOM 397 N SER A 27 7.523 9.027 -4.955 1.00 44.55 N ATOM 398 CA SER A 27 7.450 8.140 -3.801 1.00 13.03 C ATOM 399 C SER A 27 8.141 8.763 -2.592 1.00 24.11 C ATOM 400 O SER A 27 7.758 8.518 -1.448 1.00 13.03 O ATOM 401 CB SER A 27 8.088 6.789 -4.128 1.00 23.22 C ATOM 402 OG SER A 27 7.492 5.747 -3.374 1.00 4.31 O ATOM 0 H SER A 27 8.009 8.632 -5.760 1.00 44.55 H new ATOM 0 HA SER A 27 6.399 7.987 -3.557 1.00 13.03 H new ATOM 0 HB2 SER A 27 7.979 6.580 -5.192 1.00 23.22 H new ATOM 0 HB3 SER A 27 9.157 6.828 -3.919 1.00 23.22 H new ATOM 0 HG SER A 27 6.840 5.272 -3.930 1.00 4.31 H new ATOM 408 N CYS A 28 9.164 9.570 -2.854 1.00 71.01 N ATOM 409 CA CYS A 28 9.911 10.229 -1.790 1.00 22.22 C ATOM 410 C CYS A 28 9.090 11.352 -1.163 1.00 50.25 C ATOM 411 O CYS A 28 9.063 11.509 0.057 1.00 33.11 O ATOM 412 CB CYS A 28 11.228 10.787 -2.333 1.00 23.22 C ATOM 413 SG CYS A 28 12.705 10.218 -1.431 1.00 21.51 S ATOM 0 H CYS A 28 9.495 9.783 -3.795 1.00 71.01 H new ATOM 0 HA CYS A 28 10.128 9.488 -1.020 1.00 22.22 H new ATOM 0 HB2 CYS A 28 11.325 10.505 -3.381 1.00 23.22 H new ATOM 0 HB3 CYS A 28 11.191 11.876 -2.298 1.00 23.22 H new ATOM 418 N SER A 29 8.422 12.131 -2.008 1.00 73.03 N ATOM 419 CA SER A 29 7.602 13.242 -1.539 1.00 4.04 C ATOM 420 C SER A 29 6.559 12.761 -0.534 1.00 45.31 C ATOM 421 O SER A 29 6.183 13.491 0.383 1.00 72.52 O ATOM 422 CB SER A 29 6.912 13.929 -2.719 1.00 30.34 C ATOM 423 OG SER A 29 6.708 15.307 -2.458 1.00 73.33 O ATOM 0 H SER A 29 8.433 12.013 -3.021 1.00 73.03 H new ATOM 0 HA SER A 29 8.256 13.959 -1.043 1.00 4.04 H new ATOM 0 HB2 SER A 29 7.518 13.812 -3.617 1.00 30.34 H new ATOM 0 HB3 SER A 29 5.954 13.447 -2.915 1.00 30.34 H new ATOM 0 HG SER A 29 6.267 15.724 -3.228 1.00 73.33 H new ATOM 429 N MET A 30 6.097 11.528 -0.715 1.00 2.50 N ATOM 430 CA MET A 30 5.099 10.949 0.176 1.00 75.13 C ATOM 431 C MET A 30 5.709 10.615 1.533 1.00 21.30 C ATOM 432 O MET A 30 4.992 10.407 2.511 1.00 30.13 O ATOM 433 CB MET A 30 4.496 9.689 -0.450 1.00 0.34 C ATOM 434 CG MET A 30 4.226 9.820 -1.940 1.00 24.02 C ATOM 435 SD MET A 30 2.611 9.174 -2.413 1.00 33.04 S ATOM 436 CE MET A 30 2.467 9.809 -4.081 1.00 41.30 C ATOM 0 H MET A 30 6.398 10.911 -1.470 1.00 2.50 H new ATOM 0 HA MET A 30 4.310 11.686 0.325 1.00 75.13 H new ATOM 0 HB2 MET A 30 5.173 8.851 -0.284 1.00 0.34 H new ATOM 0 HB3 MET A 30 3.563 9.451 0.060 1.00 0.34 H new ATOM 0 HG2 MET A 30 4.291 10.870 -2.226 1.00 24.02 H new ATOM 0 HG3 MET A 30 5.001 9.290 -2.494 1.00 24.02 H new ATOM 0 HE1 MET A 30 1.419 10.012 -4.304 1.00 41.30 H new ATOM 0 HE2 MET A 30 3.042 10.731 -4.170 1.00 41.30 H new ATOM 0 HE3 MET A 30 2.852 9.072 -4.786 1.00 41.30 H new ATOM 446 N GLN A 31 7.036 10.565 1.584 1.00 63.43 N ATOM 447 CA GLN A 31 7.742 10.254 2.822 1.00 52.55 C ATOM 448 C GLN A 31 8.414 11.499 3.392 1.00 54.32 C ATOM 449 O GLN A 31 9.332 11.403 4.204 1.00 5.41 O ATOM 450 CB GLN A 31 8.786 9.163 2.579 1.00 52.14 C ATOM 451 CG GLN A 31 8.465 8.267 1.393 1.00 11.41 C ATOM 452 CD GLN A 31 8.961 6.848 1.583 1.00 24.30 C ATOM 453 OE1 GLN A 31 10.026 6.478 1.087 1.00 41.44 O ATOM 454 NE2 GLN A 31 8.191 6.042 2.305 1.00 52.42 N ATOM 0 H GLN A 31 7.644 10.736 0.783 1.00 63.43 H new ATOM 0 HA GLN A 31 7.012 9.893 3.546 1.00 52.55 H new ATOM 0 HB2 GLN A 31 9.757 9.631 2.418 1.00 52.14 H new ATOM 0 HB3 GLN A 31 8.873 8.548 3.475 1.00 52.14 H new ATOM 0 HG2 GLN A 31 7.387 8.253 1.235 1.00 11.41 H new ATOM 0 HG3 GLN A 31 8.914 8.687 0.493 1.00 11.41 H new ATOM 0 HE21 GLN A 31 7.316 6.389 2.698 1.00 52.42 H new ATOM 0 HE22 GLN A 31 8.475 5.076 2.467 1.00 52.42 H new ATOM 463 N ASN A 32 7.948 12.667 2.960 1.00 5.10 N ATOM 464 CA ASN A 32 8.505 13.931 3.427 1.00 3.52 C ATOM 465 C ASN A 32 9.953 14.089 2.973 1.00 42.21 C ATOM 466 O ASN A 32 10.803 14.569 3.724 1.00 34.13 O ATOM 467 CB ASN A 32 8.426 14.015 4.953 1.00 72.02 C ATOM 468 CG ASN A 32 8.201 15.432 5.443 1.00 11.24 C ATOM 469 OD1 ASN A 32 9.112 16.070 5.971 1.00 0.21 O ATOM 470 ND2 ASN A 32 6.982 15.931 5.271 1.00 5.41 N ATOM 0 H ASN A 32 7.187 12.764 2.288 1.00 5.10 H new ATOM 0 HA ASN A 32 7.917 14.740 2.994 1.00 3.52 H new ATOM 0 HB2 ASN A 32 7.616 13.378 5.308 1.00 72.02 H new ATOM 0 HB3 ASN A 32 9.349 13.627 5.384 1.00 72.02 H new ATOM 0 HD21 ASN A 32 6.771 16.879 5.582 1.00 5.41 H new ATOM 0 HD22 ASN A 32 6.257 15.366 4.828 1.00 5.41 H new ATOM 477 N CYS A 33 10.228 13.683 1.738 1.00 74.31 N ATOM 478 CA CYS A 33 11.572 13.778 1.182 1.00 52.23 C ATOM 479 C CYS A 33 11.644 14.870 0.119 1.00 42.55 C ATOM 480 O CYS A 33 10.686 15.613 -0.090 1.00 74.45 O ATOM 481 CB CYS A 33 11.994 12.437 0.580 1.00 71.52 C ATOM 482 SG CYS A 33 12.236 11.114 1.809 1.00 61.45 S ATOM 0 H CYS A 33 9.537 13.285 1.103 1.00 74.31 H new ATOM 0 HA CYS A 33 12.255 14.036 1.991 1.00 52.23 H new ATOM 0 HB2 CYS A 33 11.237 12.118 -0.137 1.00 71.52 H new ATOM 0 HB3 CYS A 33 12.921 12.576 0.024 1.00 71.52 H new ATOM 487 N GLY A 34 12.789 14.962 -0.551 1.00 43.01 N ATOM 488 CA GLY A 34 12.966 15.966 -1.584 1.00 62.44 C ATOM 489 C GLY A 34 12.957 15.370 -2.978 1.00 51.34 C ATOM 490 O GLY A 34 12.144 15.753 -3.821 1.00 0.34 O ATOM 0 H GLY A 34 13.597 14.359 -0.397 1.00 43.01 H new ATOM 0 HA2 GLY A 34 12.172 16.709 -1.504 1.00 62.44 H new ATOM 0 HA3 GLY A 34 13.909 16.488 -1.421 1.00 62.44 H new ATOM 494 N THR A 35 13.865 14.431 -3.225 1.00 74.32 N ATOM 495 CA THR A 35 13.960 13.783 -4.527 1.00 51.45 C ATOM 496 C THR A 35 14.373 12.323 -4.387 1.00 24.04 C ATOM 497 O THR A 35 14.568 11.827 -3.278 1.00 4.13 O ATOM 498 CB THR A 35 14.969 14.505 -5.441 1.00 74.10 C ATOM 499 OG1 THR A 35 14.817 14.053 -6.791 1.00 62.13 O ATOM 500 CG2 THR A 35 16.395 14.256 -4.975 1.00 1.44 C ATOM 0 H THR A 35 14.545 14.102 -2.540 1.00 74.32 H new ATOM 0 HA THR A 35 12.969 13.835 -4.978 1.00 51.45 H new ATOM 0 HB THR A 35 14.769 15.575 -5.392 1.00 74.10 H new ATOM 0 HG1 THR A 35 15.460 14.518 -7.366 1.00 62.13 H new ATOM 0 HG21 THR A 35 17.089 14.775 -5.635 1.00 1.44 H new ATOM 0 HG22 THR A 35 16.515 14.627 -3.957 1.00 1.44 H new ATOM 0 HG23 THR A 35 16.604 13.186 -4.998 1.00 1.44 H new ATOM 508 N GLY A 36 14.506 11.638 -5.519 1.00 3.24 N ATOM 509 CA GLY A 36 14.897 10.241 -5.499 1.00 31.32 C ATOM 510 C GLY A 36 15.233 9.713 -6.879 1.00 71.15 C ATOM 511 O GLY A 36 14.447 9.859 -7.815 1.00 71.15 O ATOM 0 H GLY A 36 14.350 12.026 -6.449 1.00 3.24 H new ATOM 0 HA2 GLY A 36 15.761 10.118 -4.846 1.00 31.32 H new ATOM 0 HA3 GLY A 36 14.089 9.647 -5.073 1.00 31.32 H new ATOM 515 N SER A 37 16.405 9.099 -7.008 1.00 12.14 N ATOM 516 CA SER A 37 16.846 8.553 -8.286 1.00 32.44 C ATOM 517 C SER A 37 17.043 7.043 -8.192 1.00 30.32 C ATOM 518 O SER A 37 17.456 6.522 -7.155 1.00 75.32 O ATOM 519 CB SER A 37 18.148 9.222 -8.728 1.00 64.13 C ATOM 520 OG SER A 37 18.096 9.584 -10.097 1.00 61.03 O ATOM 0 H SER A 37 17.066 8.967 -6.243 1.00 12.14 H new ATOM 0 HA SER A 37 16.072 8.756 -9.027 1.00 32.44 H new ATOM 0 HB2 SER A 37 18.329 10.109 -8.121 1.00 64.13 H new ATOM 0 HB3 SER A 37 18.985 8.544 -8.559 1.00 64.13 H new ATOM 0 HG SER A 37 18.939 10.011 -10.355 1.00 61.03 H new ATOM 526 N CYS A 38 16.745 6.345 -9.283 1.00 31.45 N ATOM 527 CA CYS A 38 16.888 4.894 -9.326 1.00 10.42 C ATOM 528 C CYS A 38 18.007 4.486 -10.280 1.00 54.41 C ATOM 529 O CYS A 38 18.164 5.067 -11.354 1.00 64.14 O ATOM 530 CB CYS A 38 15.572 4.244 -9.757 1.00 61.10 C ATOM 531 SG CYS A 38 15.140 4.528 -11.504 1.00 33.23 S ATOM 0 H CYS A 38 16.403 6.761 -10.149 1.00 31.45 H new ATOM 0 HA CYS A 38 17.145 4.549 -8.325 1.00 10.42 H new ATOM 0 HB2 CYS A 38 15.634 3.170 -9.579 1.00 61.10 H new ATOM 0 HB3 CYS A 38 14.768 4.626 -9.128 1.00 61.10 H new ATOM 536 N LYS A 39 18.781 3.483 -9.880 1.00 41.44 N ATOM 537 CA LYS A 39 19.884 2.995 -10.699 1.00 5.10 C ATOM 538 C LYS A 39 19.978 1.474 -10.634 1.00 60.05 C ATOM 539 O LYS A 39 19.594 0.859 -9.639 1.00 54.43 O ATOM 540 CB LYS A 39 21.204 3.618 -10.237 1.00 71.21 C ATOM 541 CG LYS A 39 21.156 5.132 -10.126 1.00 33.13 C ATOM 542 CD LYS A 39 21.234 5.794 -11.491 1.00 4.20 C ATOM 543 CE LYS A 39 21.605 7.265 -11.376 1.00 64.24 C ATOM 544 NZ LYS A 39 22.918 7.557 -12.015 1.00 44.04 N ATOM 0 H LYS A 39 18.665 2.992 -8.993 1.00 41.44 H new ATOM 0 HA LYS A 39 19.693 3.286 -11.732 1.00 5.10 H new ATOM 0 HB2 LYS A 39 21.474 3.199 -9.267 1.00 71.21 H new ATOM 0 HB3 LYS A 39 21.992 3.338 -10.936 1.00 71.21 H new ATOM 0 HG2 LYS A 39 20.234 5.432 -9.627 1.00 33.13 H new ATOM 0 HG3 LYS A 39 21.982 5.479 -9.505 1.00 33.13 H new ATOM 0 HD2 LYS A 39 21.972 5.278 -12.105 1.00 4.20 H new ATOM 0 HD3 LYS A 39 20.274 5.698 -11.999 1.00 4.20 H new ATOM 0 HE2 LYS A 39 20.830 7.873 -11.844 1.00 64.24 H new ATOM 0 HE3 LYS A 39 21.642 7.549 -10.324 1.00 64.24 H new ATOM 0 HZ1 LYS A 39 23.135 8.569 -11.915 1.00 44.04 H new ATOM 0 HZ2 LYS A 39 23.662 6.996 -11.552 1.00 44.04 H new ATOM 0 HZ3 LYS A 39 22.876 7.310 -13.024 1.00 44.04 H new ATOM 558 N LYS A 40 20.493 0.872 -11.701 1.00 75.42 N ATOM 559 CA LYS A 40 20.640 -0.578 -11.766 1.00 12.45 C ATOM 560 C LYS A 40 21.792 -1.047 -10.883 1.00 62.03 C ATOM 561 O LYS A 40 22.958 -0.774 -11.171 1.00 14.20 O ATOM 562 CB LYS A 40 20.875 -1.023 -13.210 1.00 64.25 C ATOM 563 CG LYS A 40 19.632 -1.571 -13.888 1.00 75.24 C ATOM 564 CD LYS A 40 19.203 -2.896 -13.280 1.00 72.02 C ATOM 565 CE LYS A 40 18.293 -3.672 -14.220 1.00 31.31 C ATOM 566 NZ LYS A 40 18.968 -3.992 -15.508 1.00 45.50 N ATOM 0 H LYS A 40 20.816 1.366 -12.533 1.00 75.42 H new ATOM 0 HA LYS A 40 19.718 -1.029 -11.400 1.00 12.45 H new ATOM 0 HB2 LYS A 40 21.249 -0.176 -13.786 1.00 64.25 H new ATOM 0 HB3 LYS A 40 21.653 -1.787 -13.224 1.00 64.25 H new ATOM 0 HG2 LYS A 40 18.820 -0.849 -13.799 1.00 75.24 H new ATOM 0 HG3 LYS A 40 19.826 -1.704 -14.952 1.00 75.24 H new ATOM 0 HD2 LYS A 40 20.085 -3.494 -13.049 1.00 72.02 H new ATOM 0 HD3 LYS A 40 18.685 -2.715 -12.338 1.00 72.02 H new ATOM 0 HE2 LYS A 40 17.976 -4.596 -13.737 1.00 31.31 H new ATOM 0 HE3 LYS A 40 17.393 -3.090 -14.417 1.00 31.31 H new ATOM 0 HZ1 LYS A 40 18.517 -4.824 -15.939 1.00 45.50 H new ATOM 0 HZ2 LYS A 40 18.886 -3.181 -16.154 1.00 45.50 H new ATOM 0 HZ3 LYS A 40 19.973 -4.194 -15.332 1.00 45.50 H new ATOM 580 N ARG A 41 21.459 -1.756 -9.810 1.00 13.55 N ATOM 581 CA ARG A 41 22.466 -2.263 -8.886 1.00 22.10 C ATOM 582 C ARG A 41 22.753 -3.738 -9.151 1.00 71.11 C ATOM 583 O ARG A 41 21.913 -4.600 -8.894 1.00 34.10 O ATOM 584 CB ARG A 41 22.004 -2.074 -7.440 1.00 24.22 C ATOM 585 CG ARG A 41 21.834 -0.618 -7.040 1.00 55.34 C ATOM 586 CD ARG A 41 23.159 0.127 -7.067 1.00 24.50 C ATOM 587 NE ARG A 41 24.121 -0.434 -6.121 1.00 72.13 N ATOM 588 CZ ARG A 41 25.356 0.030 -5.966 1.00 54.44 C ATOM 589 NH1 ARG A 41 25.777 1.058 -6.691 1.00 33.03 N ATOM 590 NH2 ARG A 41 26.172 -0.533 -5.085 1.00 60.11 N ATOM 0 H ARG A 41 20.499 -1.993 -9.559 1.00 13.55 H new ATOM 0 HA ARG A 41 23.385 -1.698 -9.043 1.00 22.10 H new ATOM 0 HB2 ARG A 41 21.056 -2.593 -7.300 1.00 24.22 H new ATOM 0 HB3 ARG A 41 22.727 -2.543 -6.772 1.00 24.22 H new ATOM 0 HG2 ARG A 41 21.130 -0.134 -7.716 1.00 55.34 H new ATOM 0 HG3 ARG A 41 21.405 -0.562 -6.040 1.00 55.34 H new ATOM 0 HD2 ARG A 41 23.576 0.089 -8.073 1.00 24.50 H new ATOM 0 HD3 ARG A 41 22.989 1.178 -6.832 1.00 24.50 H new ATOM 0 HE ARG A 41 23.828 -1.225 -5.548 1.00 72.13 H new ATOM 0 HH11 ARG A 41 25.152 1.494 -7.369 1.00 33.03 H new ATOM 0 HH12 ARG A 41 26.726 1.413 -6.570 1.00 33.03 H new ATOM 0 HH21 ARG A 41 25.852 -1.323 -4.525 1.00 60.11 H new ATOM 0 HH22 ARG A 41 27.120 -0.176 -4.967 1.00 60.11 H new ATOM 604 N SER A 42 23.945 -4.021 -9.667 1.00 53.43 N ATOM 605 CA SER A 42 24.341 -5.391 -9.972 1.00 12.44 C ATOM 606 C SER A 42 23.321 -6.061 -10.887 1.00 15.51 C ATOM 607 O SER A 42 23.127 -7.274 -10.836 1.00 61.44 O ATOM 608 CB SER A 42 24.493 -6.198 -8.681 1.00 60.42 C ATOM 609 OG SER A 42 25.692 -6.954 -8.691 1.00 1.42 O ATOM 0 H SER A 42 24.653 -3.320 -9.883 1.00 53.43 H new ATOM 0 HA SER A 42 25.300 -5.360 -10.489 1.00 12.44 H new ATOM 0 HB2 SER A 42 24.491 -5.524 -7.825 1.00 60.42 H new ATOM 0 HB3 SER A 42 23.639 -6.865 -8.563 1.00 60.42 H new ATOM 0 HG SER A 42 25.767 -7.460 -7.855 1.00 1.42 H new ATOM 615 N GLY A 43 22.669 -5.259 -11.724 1.00 45.43 N ATOM 616 CA GLY A 43 21.677 -5.790 -12.640 1.00 34.45 C ATOM 617 C GLY A 43 20.300 -5.882 -12.012 1.00 30.51 C ATOM 618 O GLY A 43 19.420 -6.571 -12.528 1.00 72.13 O ATOM 0 H GLY A 43 22.811 -4.251 -11.784 1.00 45.43 H new ATOM 0 HA2 GLY A 43 21.628 -5.156 -13.525 1.00 34.45 H new ATOM 0 HA3 GLY A 43 21.988 -6.780 -12.974 1.00 34.45 H new ATOM 622 N ARG A 44 20.113 -5.188 -10.894 1.00 24.40 N ATOM 623 CA ARG A 44 18.835 -5.197 -10.194 1.00 32.45 C ATOM 624 C ARG A 44 18.252 -3.790 -10.107 1.00 42.34 C ATOM 625 O ARG A 44 18.940 -2.826 -9.769 1.00 31.44 O ATOM 626 CB ARG A 44 19.003 -5.778 -8.788 1.00 71.23 C ATOM 627 CG ARG A 44 19.413 -7.242 -8.779 1.00 42.33 C ATOM 628 CD ARG A 44 18.233 -8.153 -9.078 1.00 40.12 C ATOM 629 NE ARG A 44 18.579 -9.564 -8.929 1.00 4.21 N ATOM 630 CZ ARG A 44 17.787 -10.559 -9.310 1.00 34.43 C ATOM 631 NH1 ARG A 44 16.609 -10.300 -9.860 1.00 14.11 N ATOM 632 NH2 ARG A 44 18.172 -11.818 -9.141 1.00 1.23 N ATOM 0 H ARG A 44 20.831 -4.612 -10.454 1.00 24.40 H new ATOM 0 HA ARG A 44 18.145 -5.823 -10.759 1.00 32.45 H new ATOM 0 HB2 ARG A 44 19.752 -5.196 -8.251 1.00 71.23 H new ATOM 0 HB3 ARG A 44 18.065 -5.669 -8.244 1.00 71.23 H new ATOM 0 HG2 ARG A 44 20.197 -7.406 -9.518 1.00 42.33 H new ATOM 0 HG3 ARG A 44 19.834 -7.497 -7.806 1.00 42.33 H new ATOM 0 HD2 ARG A 44 17.408 -7.909 -8.408 1.00 40.12 H new ATOM 0 HD3 ARG A 44 17.883 -7.971 -10.094 1.00 40.12 H new ATOM 0 HE ARG A 44 19.479 -9.798 -8.509 1.00 4.21 H new ATOM 0 HH11 ARG A 44 16.309 -9.334 -9.992 1.00 14.11 H new ATOM 0 HH12 ARG A 44 16.003 -11.067 -10.152 1.00 14.11 H new ATOM 0 HH21 ARG A 44 19.077 -12.022 -8.718 1.00 1.23 H new ATOM 0 HH22 ARG A 44 17.562 -12.581 -9.434 1.00 1.23 H new ATOM 646 N PRO A 45 16.954 -3.666 -10.422 1.00 1.05 N ATOM 647 CA PRO A 45 16.250 -2.381 -10.387 1.00 43.51 C ATOM 648 C PRO A 45 16.056 -1.864 -8.966 1.00 4.43 C ATOM 649 O PRO A 45 15.032 -2.124 -8.333 1.00 4.00 O ATOM 650 CB PRO A 45 14.898 -2.699 -11.029 1.00 71.24 C ATOM 651 CG PRO A 45 14.701 -4.157 -10.795 1.00 23.23 C ATOM 652 CD PRO A 45 16.073 -4.772 -10.834 1.00 2.41 C ATOM 0 HA PRO A 45 16.807 -1.598 -10.900 1.00 43.51 H new ATOM 0 HB2 PRO A 45 14.097 -2.114 -10.577 1.00 71.24 H new ATOM 0 HB3 PRO A 45 14.901 -2.466 -12.094 1.00 71.24 H new ATOM 0 HG2 PRO A 45 14.220 -4.336 -9.833 1.00 23.23 H new ATOM 0 HG3 PRO A 45 14.057 -4.591 -11.559 1.00 23.23 H new ATOM 0 HD2 PRO A 45 16.152 -5.622 -10.157 1.00 2.41 H new ATOM 0 HD3 PRO A 45 16.323 -5.135 -11.831 1.00 2.41 H new ATOM 660 N THR A 46 17.046 -1.129 -8.468 1.00 2.22 N ATOM 661 CA THR A 46 16.985 -0.576 -7.121 1.00 13.22 C ATOM 662 C THR A 46 16.616 0.903 -7.150 1.00 4.11 C ATOM 663 O THR A 46 17.193 1.682 -7.909 1.00 42.41 O ATOM 664 CB THR A 46 18.326 -0.745 -6.382 1.00 50.44 C ATOM 665 OG1 THR A 46 18.653 -2.134 -6.273 1.00 64.31 O ATOM 666 CG2 THR A 46 18.262 -0.123 -4.996 1.00 2.24 C ATOM 0 H THR A 46 17.900 -0.903 -8.978 1.00 2.22 H new ATOM 0 HA THR A 46 16.213 -1.130 -6.587 1.00 13.22 H new ATOM 0 HB THR A 46 19.099 -0.234 -6.956 1.00 50.44 H new ATOM 0 HG1 THR A 46 19.508 -2.233 -5.804 1.00 64.31 H new ATOM 0 HG21 THR A 46 19.220 -0.255 -4.493 1.00 2.24 H new ATOM 0 HG22 THR A 46 18.042 0.941 -5.084 1.00 2.24 H new ATOM 0 HG23 THR A 46 17.478 -0.609 -4.415 1.00 2.24 H new ATOM 674 N CYS A 47 15.653 1.285 -6.318 1.00 74.54 N ATOM 675 CA CYS A 47 15.207 2.671 -6.248 1.00 72.21 C ATOM 676 C CYS A 47 15.830 3.382 -5.051 1.00 13.45 C ATOM 677 O CYS A 47 15.629 2.983 -3.904 1.00 33.15 O ATOM 678 CB CYS A 47 13.681 2.734 -6.156 1.00 31.44 C ATOM 679 SG CYS A 47 12.932 4.079 -7.128 1.00 52.25 S ATOM 0 H CYS A 47 15.166 0.653 -5.682 1.00 74.54 H new ATOM 0 HA CYS A 47 15.530 3.177 -7.158 1.00 72.21 H new ATOM 0 HB2 CYS A 47 13.268 1.783 -6.493 1.00 31.44 H new ATOM 0 HB3 CYS A 47 13.395 2.853 -5.111 1.00 31.44 H new ATOM 684 N VAL A 48 16.587 4.440 -5.326 1.00 31.23 N ATOM 685 CA VAL A 48 17.238 5.209 -4.272 1.00 24.40 C ATOM 686 C VAL A 48 16.598 6.584 -4.119 1.00 63.22 C ATOM 687 O VAL A 48 16.122 7.171 -5.091 1.00 71.54 O ATOM 688 CB VAL A 48 18.743 5.383 -4.553 1.00 32.03 C ATOM 689 CG1 VAL A 48 19.485 5.748 -3.276 1.00 44.14 C ATOM 690 CG2 VAL A 48 19.319 4.118 -5.171 1.00 50.34 C ATOM 0 H VAL A 48 16.764 4.784 -6.270 1.00 31.23 H new ATOM 0 HA VAL A 48 17.111 4.648 -3.346 1.00 24.40 H new ATOM 0 HB VAL A 48 18.871 6.198 -5.265 1.00 32.03 H new ATOM 0 HG11 VAL A 48 20.546 5.867 -3.493 1.00 44.14 H new ATOM 0 HG12 VAL A 48 19.089 6.683 -2.880 1.00 44.14 H new ATOM 0 HG13 VAL A 48 19.352 4.956 -2.539 1.00 44.14 H new ATOM 0 HG21 VAL A 48 20.383 4.259 -5.363 1.00 50.34 H new ATOM 0 HG22 VAL A 48 19.181 3.283 -4.485 1.00 50.34 H new ATOM 0 HG23 VAL A 48 18.806 3.905 -6.109 1.00 50.34 H new ATOM 700 N CYS A 49 16.591 7.094 -2.892 1.00 71.22 N ATOM 701 CA CYS A 49 16.010 8.401 -2.610 1.00 74.33 C ATOM 702 C CYS A 49 17.080 9.382 -2.142 1.00 13.44 C ATOM 703 O CYS A 49 18.190 8.985 -1.789 1.00 22.43 O ATOM 704 CB CYS A 49 14.915 8.277 -1.548 1.00 62.03 C ATOM 705 SG CYS A 49 13.230 8.560 -2.180 1.00 43.44 S ATOM 0 H CYS A 49 16.981 6.622 -2.077 1.00 71.22 H new ATOM 0 HA CYS A 49 15.571 8.783 -3.532 1.00 74.33 H new ATOM 0 HB2 CYS A 49 14.963 7.282 -1.106 1.00 62.03 H new ATOM 0 HB3 CYS A 49 15.116 8.990 -0.749 1.00 62.03 H new ATOM 710 N TYR A 50 16.737 10.666 -2.141 1.00 24.21 N ATOM 711 CA TYR A 50 17.669 11.705 -1.718 1.00 33.01 C ATOM 712 C TYR A 50 16.920 12.933 -1.209 1.00 21.15 C ATOM 713 O TYR A 50 15.695 13.008 -1.298 1.00 35.23 O ATOM 714 CB TYR A 50 18.587 12.098 -2.876 1.00 43.00 C ATOM 715 CG TYR A 50 19.462 10.966 -3.367 1.00 15.05 C ATOM 716 CD1 TYR A 50 19.047 10.142 -4.405 1.00 75.15 C ATOM 717 CD2 TYR A 50 20.702 10.720 -2.791 1.00 33.24 C ATOM 718 CE1 TYR A 50 19.841 9.106 -4.857 1.00 24.04 C ATOM 719 CE2 TYR A 50 21.504 9.687 -3.236 1.00 52.22 C ATOM 720 CZ TYR A 50 21.069 8.883 -4.269 1.00 63.02 C ATOM 721 OH TYR A 50 21.865 7.852 -4.715 1.00 12.41 O ATOM 0 H TYR A 50 15.821 11.012 -2.428 1.00 24.21 H new ATOM 0 HA TYR A 50 18.273 11.306 -0.903 1.00 33.01 H new ATOM 0 HB2 TYR A 50 17.978 12.461 -3.704 1.00 43.00 H new ATOM 0 HB3 TYR A 50 19.222 12.926 -2.560 1.00 43.00 H new ATOM 0 HD1 TYR A 50 18.086 10.314 -4.867 1.00 75.15 H new ATOM 0 HD2 TYR A 50 21.045 11.347 -1.981 1.00 33.24 H new ATOM 0 HE1 TYR A 50 19.503 8.475 -5.665 1.00 24.04 H new ATOM 0 HE2 TYR A 50 22.466 9.510 -2.778 1.00 52.22 H new ATOM 0 HH TYR A 50 22.696 7.832 -4.196 1.00 12.41 H new ATOM 731 N ARG A 51 17.667 13.894 -0.675 1.00 21.23 N ATOM 732 CA ARG A 51 17.076 15.119 -0.150 1.00 73.21 C ATOM 733 C ARG A 51 15.942 14.803 0.821 1.00 71.31 C ATOM 734 O ARG A 51 14.994 15.577 0.959 1.00 61.43 O ATOM 735 CB ARG A 51 16.553 15.989 -1.295 1.00 24.02 C ATOM 736 CG ARG A 51 17.622 16.372 -2.305 1.00 42.31 C ATOM 737 CD ARG A 51 17.477 17.820 -2.748 1.00 20.15 C ATOM 738 NE ARG A 51 18.771 18.483 -2.883 1.00 41.31 N ATOM 739 CZ ARG A 51 19.594 18.286 -3.907 1.00 3.22 C ATOM 740 NH1 ARG A 51 19.259 17.450 -4.879 1.00 65.35 N ATOM 741 NH2 ARG A 51 20.755 18.927 -3.959 1.00 60.02 N ATOM 0 H ARG A 51 18.683 13.848 -0.595 1.00 21.23 H new ATOM 0 HA ARG A 51 17.851 15.665 0.388 1.00 73.21 H new ATOM 0 HB2 ARG A 51 15.753 15.456 -1.809 1.00 24.02 H new ATOM 0 HB3 ARG A 51 16.115 16.897 -0.880 1.00 24.02 H new ATOM 0 HG2 ARG A 51 18.609 16.222 -1.867 1.00 42.31 H new ATOM 0 HG3 ARG A 51 17.555 15.716 -3.173 1.00 42.31 H new ATOM 0 HD2 ARG A 51 16.950 17.856 -3.701 1.00 20.15 H new ATOM 0 HD3 ARG A 51 16.866 18.361 -2.025 1.00 20.15 H new ATOM 0 HE ARG A 51 19.059 19.133 -2.151 1.00 41.31 H new ATOM 0 HH11 ARG A 51 18.367 16.956 -4.842 1.00 65.35 H new ATOM 0 HH12 ARG A 51 19.893 17.301 -5.664 1.00 65.35 H new ATOM 0 HH21 ARG A 51 21.016 19.571 -3.212 1.00 60.02 H new ATOM 0 HH22 ARG A 51 21.387 18.775 -4.745 1.00 60.02 H new ATOM 755 N CYS A 52 16.046 13.660 1.492 1.00 53.32 N ATOM 756 CA CYS A 52 15.030 13.240 2.449 1.00 12.23 C ATOM 757 C CYS A 52 15.105 14.076 3.724 1.00 23.41 C ATOM 758 O CYS A 52 16.007 14.897 3.888 1.00 51.14 O ATOM 759 CB CYS A 52 15.200 11.758 2.787 1.00 34.32 C ATOM 760 SG CYS A 52 13.629 10.863 3.016 1.00 25.22 S ATOM 0 H CYS A 52 16.824 13.008 1.390 1.00 53.32 H new ATOM 0 HA CYS A 52 14.052 13.392 1.993 1.00 12.23 H new ATOM 0 HB2 CYS A 52 15.767 11.277 1.990 1.00 34.32 H new ATOM 0 HB3 CYS A 52 15.792 11.670 3.698 1.00 34.32 H new ATOM 765 N ALA A 53 14.152 13.859 4.624 1.00 32.02 N ATOM 766 CA ALA A 53 14.111 14.589 5.885 1.00 41.41 C ATOM 767 C ALA A 53 14.500 13.690 7.053 1.00 33.13 C ATOM 768 O ALA A 53 15.023 14.159 8.063 1.00 43.44 O ATOM 769 CB ALA A 53 12.727 15.180 6.108 1.00 33.34 C ATOM 0 H ALA A 53 13.398 13.183 4.503 1.00 32.02 H new ATOM 0 HA ALA A 53 14.836 15.401 5.830 1.00 41.41 H new ATOM 0 HB1 ALA A 53 12.711 15.722 7.053 1.00 33.34 H new ATOM 0 HB2 ALA A 53 12.488 15.864 5.293 1.00 33.34 H new ATOM 0 HB3 ALA A 53 11.989 14.378 6.137 1.00 33.34 H new ATOM 775 N ASN A 54 14.239 12.395 6.909 1.00 30.32 N ATOM 776 CA ASN A 54 14.561 11.429 7.954 1.00 14.40 C ATOM 777 C ASN A 54 15.949 10.836 7.737 1.00 22.42 C ATOM 778 O ASN A 54 16.274 9.777 8.274 1.00 51.13 O ATOM 779 CB ASN A 54 13.515 10.313 7.985 1.00 63.41 C ATOM 780 CG ASN A 54 12.973 10.066 9.380 1.00 45.23 C ATOM 781 OD1 ASN A 54 13.717 10.094 10.360 1.00 22.24 O ATOM 782 ND2 ASN A 54 11.671 9.823 9.474 1.00 3.41 N ATOM 0 H ASN A 54 13.806 11.990 6.079 1.00 30.32 H new ATOM 0 HA ASN A 54 14.554 11.950 8.911 1.00 14.40 H new ATOM 0 HB2 ASN A 54 12.692 10.572 7.319 1.00 63.41 H new ATOM 0 HB3 ASN A 54 13.958 9.393 7.602 1.00 63.41 H new ATOM 0 HD21 ASN A 54 11.249 9.650 10.386 1.00 3.41 H new ATOM 0 HD22 ASN A 54 11.093 9.810 8.634 1.00 3.41 H new ATOM 789 N GLY A 55 16.766 11.526 6.947 1.00 54.12 N ATOM 790 CA GLY A 55 18.110 11.052 6.673 1.00 13.32 C ATOM 791 C GLY A 55 18.854 11.948 5.703 1.00 72.24 C ATOM 792 O GLY A 55 20.078 12.057 5.761 1.00 13.35 O ATOM 0 H GLY A 55 16.521 12.405 6.492 1.00 54.12 H new ATOM 0 HA2 GLY A 55 18.668 10.991 7.607 1.00 13.32 H new ATOM 0 HA3 GLY A 55 18.060 10.042 6.265 1.00 13.32 H new ATOM 796 N GLY A 56 18.113 12.590 4.804 1.00 35.34 N ATOM 797 CA GLY A 56 18.727 13.470 3.828 1.00 2.33 C ATOM 798 C GLY A 56 19.721 12.748 2.940 1.00 32.13 C ATOM 799 O GLY A 56 20.905 13.080 2.924 1.00 42.12 O ATOM 0 H GLY A 56 17.098 12.516 4.735 1.00 35.34 H new ATOM 0 HA2 GLY A 56 17.950 13.919 3.209 1.00 2.33 H new ATOM 0 HA3 GLY A 56 19.232 14.285 4.346 1.00 2.33 H new ATOM 803 N GLY A 57 19.238 11.754 2.200 1.00 11.41 N ATOM 804 CA GLY A 57 20.106 10.997 1.317 1.00 11.42 C ATOM 805 C GLY A 57 19.484 9.688 0.875 1.00 34.23 C ATOM 806 O GLY A 57 18.280 9.617 0.629 1.00 75.15 O ATOM 0 H GLY A 57 18.261 11.460 2.196 1.00 11.41 H new ATOM 0 HA2 GLY A 57 20.340 11.599 0.439 1.00 11.42 H new ATOM 0 HA3 GLY A 57 21.049 10.794 1.825 1.00 11.42 H new ATOM 810 N ASP A 58 20.305 8.649 0.773 1.00 22.15 N ATOM 811 CA ASP A 58 19.829 7.335 0.357 1.00 14.04 C ATOM 812 C ASP A 58 18.863 6.756 1.387 1.00 50.22 C ATOM 813 O ASP A 58 19.275 6.324 2.464 1.00 15.51 O ATOM 814 CB ASP A 58 21.008 6.382 0.153 1.00 14.34 C ATOM 815 CG ASP A 58 21.976 6.402 1.319 1.00 3.13 C ATOM 816 OD1 ASP A 58 21.995 5.421 2.092 1.00 3.02 O ATOM 817 OD2 ASP A 58 22.716 7.398 1.459 1.00 42.25 O ATOM 0 H ASP A 58 21.304 8.691 0.973 1.00 22.15 H new ATOM 0 HA ASP A 58 19.298 7.451 -0.588 1.00 14.04 H new ATOM 0 HB2 ASP A 58 20.632 5.368 0.014 1.00 14.34 H new ATOM 0 HB3 ASP A 58 21.538 6.654 -0.760 1.00 14.34 H new ATOM 822 N ILE A 59 17.578 6.752 1.048 1.00 22.42 N ATOM 823 CA ILE A 59 16.555 6.226 1.943 1.00 13.01 C ATOM 824 C ILE A 59 15.495 5.448 1.170 1.00 42.10 C ATOM 825 O ILE A 59 14.612 6.020 0.531 1.00 43.52 O ATOM 826 CB ILE A 59 15.870 7.353 2.738 1.00 34.05 C ATOM 827 CG1 ILE A 59 16.911 8.349 3.253 1.00 14.22 C ATOM 828 CG2 ILE A 59 15.067 6.773 3.893 1.00 14.54 C ATOM 829 CD1 ILE A 59 17.734 7.821 4.407 1.00 34.13 C ATOM 0 H ILE A 59 17.221 7.107 0.161 1.00 22.42 H new ATOM 0 HA ILE A 59 17.059 5.555 2.639 1.00 13.01 H new ATOM 0 HB ILE A 59 15.186 7.882 2.075 1.00 34.05 H new ATOM 0 HG12 ILE A 59 17.579 8.620 2.435 1.00 14.22 H new ATOM 0 HG13 ILE A 59 16.405 9.262 3.566 1.00 14.22 H new ATOM 0 HG21 ILE A 59 14.589 7.582 4.446 1.00 14.54 H new ATOM 0 HG22 ILE A 59 14.304 6.099 3.503 1.00 14.54 H new ATOM 0 HG23 ILE A 59 15.732 6.223 4.558 1.00 14.54 H new ATOM 0 HD11 ILE A 59 18.451 8.580 4.720 1.00 34.13 H new ATOM 0 HD12 ILE A 59 17.076 7.577 5.241 1.00 34.13 H new ATOM 0 HD13 ILE A 59 18.269 6.925 4.092 1.00 34.13 H new ATOM 841 N PRO A 60 15.582 4.111 1.230 1.00 70.14 N ATOM 842 CA PRO A 60 14.637 3.225 0.543 1.00 44.02 C ATOM 843 C PRO A 60 13.248 3.261 1.170 1.00 20.32 C ATOM 844 O PRO A 60 13.101 3.526 2.364 1.00 25.53 O ATOM 845 CB PRO A 60 15.265 1.839 0.711 1.00 34.10 C ATOM 846 CG PRO A 60 16.098 1.947 1.941 1.00 31.12 C ATOM 847 CD PRO A 60 16.609 3.361 1.972 1.00 34.15 C ATOM 0 HA PRO A 60 14.486 3.516 -0.496 1.00 44.02 H new ATOM 0 HB2 PRO A 60 14.501 1.069 0.817 1.00 34.10 H new ATOM 0 HB3 PRO A 60 15.870 1.571 -0.155 1.00 34.10 H new ATOM 0 HG2 PRO A 60 15.510 1.725 2.831 1.00 31.12 H new ATOM 0 HG3 PRO A 60 16.923 1.234 1.918 1.00 31.12 H new ATOM 0 HD2 PRO A 60 16.715 3.728 2.993 1.00 34.15 H new ATOM 0 HD3 PRO A 60 17.588 3.445 1.500 1.00 34.15 H new ATOM 855 N LEU A 61 12.231 2.992 0.359 1.00 13.42 N ATOM 856 CA LEU A 61 10.852 2.993 0.835 1.00 12.34 C ATOM 857 C LEU A 61 10.707 2.130 2.085 1.00 54.14 C ATOM 858 O LEU A 61 9.786 2.319 2.879 1.00 43.32 O ATOM 859 CB LEU A 61 9.913 2.486 -0.261 1.00 13.55 C ATOM 860 CG LEU A 61 9.121 3.556 -1.014 1.00 1.23 C ATOM 861 CD1 LEU A 61 10.051 4.641 -1.534 1.00 61.03 C ATOM 862 CD2 LEU A 61 8.335 2.932 -2.157 1.00 34.41 C ATOM 0 H LEU A 61 12.335 2.770 -0.631 1.00 13.42 H new ATOM 0 HA LEU A 61 10.582 4.018 1.090 1.00 12.34 H new ATOM 0 HB2 LEU A 61 10.502 1.922 -0.984 1.00 13.55 H new ATOM 0 HB3 LEU A 61 9.206 1.788 0.188 1.00 13.55 H new ATOM 0 HG LEU A 61 8.415 4.013 -0.321 1.00 1.23 H new ATOM 0 HD11 LEU A 61 9.470 5.394 -2.067 1.00 61.03 H new ATOM 0 HD12 LEU A 61 10.569 5.108 -0.696 1.00 61.03 H new ATOM 0 HD13 LEU A 61 10.782 4.200 -2.212 1.00 61.03 H new ATOM 0 HD21 LEU A 61 7.778 3.708 -2.682 1.00 34.41 H new ATOM 0 HD22 LEU A 61 9.023 2.448 -2.850 1.00 34.41 H new ATOM 0 HD23 LEU A 61 7.640 2.192 -1.760 1.00 34.41 H new ATOM 874 N GLY A 62 11.624 1.182 2.253 1.00 52.31 N ATOM 875 CA GLY A 62 11.581 0.306 3.409 1.00 62.44 C ATOM 876 C GLY A 62 12.058 0.991 4.674 1.00 61.31 C ATOM 877 O GLY A 62 11.551 0.722 5.762 1.00 35.12 O ATOM 0 H GLY A 62 12.395 1.005 1.609 1.00 52.31 H new ATOM 0 HA2 GLY A 62 10.561 -0.049 3.554 1.00 62.44 H new ATOM 0 HA3 GLY A 62 12.199 -0.571 3.219 1.00 62.44 H new ATOM 881 N ALA A 63 13.038 1.877 4.532 1.00 52.34 N ATOM 882 CA ALA A 63 13.583 2.603 5.672 1.00 20.11 C ATOM 883 C ALA A 63 12.679 3.766 6.066 1.00 34.44 C ATOM 884 O ALA A 63 12.695 4.218 7.212 1.00 24.00 O ATOM 885 CB ALA A 63 14.984 3.105 5.357 1.00 24.03 C ATOM 0 H ALA A 63 13.471 2.109 3.638 1.00 52.34 H new ATOM 0 HA ALA A 63 13.636 1.916 6.517 1.00 20.11 H new ATOM 0 HB1 ALA A 63 15.379 3.645 6.217 1.00 24.03 H new ATOM 0 HB2 ALA A 63 15.632 2.258 5.132 1.00 24.03 H new ATOM 0 HB3 ALA A 63 14.946 3.772 4.496 1.00 24.03 H new ATOM 891 N LEU A 64 11.890 4.246 5.111 1.00 4.11 N ATOM 892 CA LEU A 64 10.979 5.358 5.359 1.00 73.34 C ATOM 893 C LEU A 64 9.605 4.851 5.786 1.00 22.43 C ATOM 894 O LEU A 64 8.658 5.627 5.915 1.00 44.30 O ATOM 895 CB LEU A 64 10.847 6.224 4.105 1.00 43.12 C ATOM 896 CG LEU A 64 11.743 7.462 4.047 1.00 21.04 C ATOM 897 CD1 LEU A 64 12.103 7.794 2.608 1.00 64.23 C ATOM 898 CD2 LEU A 64 11.059 8.646 4.715 1.00 43.54 C ATOM 0 H LEU A 64 11.863 3.883 4.158 1.00 4.11 H new ATOM 0 HA LEU A 64 11.392 5.960 6.168 1.00 73.34 H new ATOM 0 HB2 LEU A 64 11.062 5.604 3.235 1.00 43.12 H new ATOM 0 HB3 LEU A 64 9.809 6.547 4.018 1.00 43.12 H new ATOM 0 HG LEU A 64 12.664 7.246 4.589 1.00 21.04 H new ATOM 0 HD11 LEU A 64 12.741 8.678 2.587 1.00 64.23 H new ATOM 0 HD12 LEU A 64 12.634 6.953 2.162 1.00 64.23 H new ATOM 0 HD13 LEU A 64 11.193 7.990 2.041 1.00 64.23 H new ATOM 0 HD21 LEU A 64 11.711 9.518 4.665 1.00 43.54 H new ATOM 0 HD22 LEU A 64 10.122 8.862 4.201 1.00 43.54 H new ATOM 0 HD23 LEU A 64 10.853 8.406 5.758 1.00 43.54 H new ATOM 910 N ILE A 65 9.505 3.544 6.007 1.00 0.20 N ATOM 911 CA ILE A 65 8.248 2.934 6.424 1.00 44.53 C ATOM 912 C ILE A 65 7.755 3.534 7.737 1.00 64.54 C ATOM 913 O ILE A 65 8.348 3.314 8.793 1.00 0.53 O ATOM 914 CB ILE A 65 8.390 1.410 6.589 1.00 31.13 C ATOM 915 CG1 ILE A 65 8.647 0.749 5.233 1.00 1.43 C ATOM 916 CG2 ILE A 65 7.143 0.830 7.239 1.00 32.42 C ATOM 917 CD1 ILE A 65 8.819 -0.751 5.315 1.00 22.20 C ATOM 0 H ILE A 65 10.279 2.888 5.904 1.00 0.20 H new ATOM 0 HA ILE A 65 7.521 3.139 5.638 1.00 44.53 H new ATOM 0 HB ILE A 65 9.242 1.208 7.237 1.00 31.13 H new ATOM 0 HG12 ILE A 65 7.816 0.975 4.564 1.00 1.43 H new ATOM 0 HG13 ILE A 65 9.542 1.185 4.789 1.00 1.43 H new ATOM 0 HG21 ILE A 65 7.258 -0.248 7.349 1.00 32.42 H new ATOM 0 HG22 ILE A 65 7.001 1.282 8.221 1.00 32.42 H new ATOM 0 HG23 ILE A 65 6.275 1.040 6.614 1.00 32.42 H new ATOM 0 HD11 ILE A 65 8.998 -1.152 4.317 1.00 22.20 H new ATOM 0 HD12 ILE A 65 9.668 -0.985 5.958 1.00 22.20 H new ATOM 0 HD13 ILE A 65 7.916 -1.199 5.729 1.00 22.20 H new ATOM 929 N LYS A 66 6.665 4.290 7.663 1.00 25.20 N ATOM 930 CA LYS A 66 6.089 4.919 8.845 1.00 30.03 C ATOM 931 C LYS A 66 5.110 3.978 9.540 1.00 71.23 C ATOM 932 O LYS A 66 4.443 4.360 10.502 1.00 64.13 O ATOM 933 CB LYS A 66 5.378 6.219 8.461 1.00 22.33 C ATOM 934 CG LYS A 66 6.258 7.188 7.691 1.00 13.30 C ATOM 935 CD LYS A 66 5.435 8.087 6.784 1.00 51.44 C ATOM 936 CE LYS A 66 4.814 7.304 5.637 1.00 43.11 C ATOM 937 NZ LYS A 66 4.888 8.051 4.351 1.00 53.40 N ATOM 0 H LYS A 66 6.163 4.482 6.796 1.00 25.20 H new ATOM 0 HA LYS A 66 6.900 5.146 9.537 1.00 30.03 H new ATOM 0 HB2 LYS A 66 4.502 5.980 7.859 1.00 22.33 H new ATOM 0 HB3 LYS A 66 5.019 6.708 9.366 1.00 22.33 H new ATOM 0 HG2 LYS A 66 6.827 7.799 8.391 1.00 13.30 H new ATOM 0 HG3 LYS A 66 6.980 6.630 7.094 1.00 13.30 H new ATOM 0 HD2 LYS A 66 4.648 8.569 7.365 1.00 51.44 H new ATOM 0 HD3 LYS A 66 6.068 8.880 6.384 1.00 51.44 H new ATOM 0 HE2 LYS A 66 5.326 6.347 5.531 1.00 43.11 H new ATOM 0 HE3 LYS A 66 3.772 7.084 5.870 1.00 43.11 H new ATOM 0 HZ1 LYS A 66 4.324 7.558 3.630 1.00 53.40 H new ATOM 0 HZ2 LYS A 66 4.514 9.012 4.486 1.00 53.40 H new ATOM 0 HZ3 LYS A 66 5.878 8.106 4.038 1.00 53.40 H new ATOM 951 N ARG A 67 5.029 2.746 9.047 1.00 44.21 N ATOM 952 CA ARG A 67 4.132 1.751 9.621 1.00 70.22 C ATOM 953 C ARG A 67 2.675 2.173 9.456 1.00 10.33 C ATOM 954 O ARG A 67 1.784 1.635 10.112 1.00 1.11 O ATOM 955 CB ARG A 67 4.449 1.541 11.103 1.00 41.04 C ATOM 956 CG ARG A 67 5.212 0.257 11.386 1.00 12.34 C ATOM 957 CD ARG A 67 6.468 0.156 10.535 1.00 31.23 C ATOM 958 NE ARG A 67 7.583 -0.431 11.273 1.00 21.32 N ATOM 959 CZ ARG A 67 8.271 0.219 12.206 1.00 73.53 C ATOM 960 NH1 ARG A 67 7.958 1.470 12.513 1.00 65.12 N ATOM 961 NH2 ARG A 67 9.273 -0.384 12.833 1.00 14.35 N ATOM 0 H ARG A 67 5.574 2.414 8.251 1.00 44.21 H new ATOM 0 HA ARG A 67 4.283 0.812 9.088 1.00 70.22 H new ATOM 0 HB2 ARG A 67 5.032 2.388 11.465 1.00 41.04 H new ATOM 0 HB3 ARG A 67 3.517 1.532 11.668 1.00 41.04 H new ATOM 0 HG2 ARG A 67 5.482 0.218 12.441 1.00 12.34 H new ATOM 0 HG3 ARG A 67 4.568 -0.601 11.190 1.00 12.34 H new ATOM 0 HD2 ARG A 67 6.260 -0.448 9.652 1.00 31.23 H new ATOM 0 HD3 ARG A 67 6.749 1.149 10.183 1.00 31.23 H new ATOM 0 HE ARG A 67 7.848 -1.393 11.061 1.00 21.32 H new ATOM 0 HH11 ARG A 67 7.188 1.936 12.033 1.00 65.12 H new ATOM 0 HH12 ARG A 67 8.487 1.967 13.229 1.00 65.12 H new ATOM 0 HH21 ARG A 67 9.515 -1.347 12.599 1.00 14.35 H new ATOM 0 HH22 ARG A 67 9.801 0.115 13.549 1.00 14.35 H new ATOM 975 N GLY A 68 2.441 3.142 8.576 1.00 74.43 N ATOM 976 CA GLY A 68 1.091 3.620 8.341 1.00 12.44 C ATOM 977 C GLY A 68 0.794 3.821 6.868 1.00 23.04 C ATOM 978 O GLY A 68 1.492 4.570 6.185 1.00 73.05 O ATOM 0 H GLY A 68 3.162 3.604 8.022 1.00 74.43 H new ATOM 0 HA2 GLY A 68 0.379 2.908 8.758 1.00 12.44 H new ATOM 0 HA3 GLY A 68 0.946 4.562 8.869 1.00 12.44 H new TER 982 GLY A 68