USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=14 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 54:sc= 1.06 USER MOD Single : A 7 THR OG1 : rot -170:sc= 0 USER MOD Single : A 11 MET CE :methyl -128:sc= -1.91 (180deg=-5.14!) 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) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -1:sc= -3.21! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -149:sc= -0.137 (180deg=-1.28) USER MOD Single : A 31 GLN : amide:sc= -7.8! C(o=-7.8!,f=-14!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0602 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+ -157:sc= 0.297 (180deg=-0.196) 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) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0118) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.580 -2.681 -6.313 1.00 1.53 N ATOM 2 CA MET A 1 1.720 -3.044 -7.146 1.00 62.31 C ATOM 3 C MET A 1 2.767 -1.934 -7.150 1.00 73.51 C ATOM 4 O MET A 1 2.761 -1.067 -8.023 1.00 44.34 O ATOM 5 CB MET A 1 1.262 -3.334 -8.577 1.00 33.04 C ATOM 6 CG MET A 1 2.203 -4.249 -9.343 1.00 33.53 C ATOM 7 SD MET A 1 2.886 -3.467 -10.816 1.00 42.14 S ATOM 8 CE MET A 1 2.331 -4.598 -12.089 1.00 73.30 C ATOM 0 H1 MET A 1 -0.119 -3.451 -6.326 1.00 1.53 H new ATOM 0 H2 MET A 1 0.901 -2.521 -5.337 1.00 1.53 H new ATOM 0 H3 MET A 1 0.144 -1.812 -6.681 1.00 1.53 H new ATOM 0 HA MET A 1 2.172 -3.943 -6.727 1.00 62.31 H new ATOM 0 HB2 MET A 1 0.271 -3.788 -8.548 1.00 33.04 H new ATOM 0 HB3 MET A 1 1.165 -2.392 -9.117 1.00 33.04 H new ATOM 0 HG2 MET A 1 3.018 -4.556 -8.688 1.00 33.53 H new ATOM 0 HG3 MET A 1 1.668 -5.154 -9.632 1.00 33.53 H new ATOM 0 HE1 MET A 1 2.676 -4.248 -13.062 1.00 73.30 H new ATOM 0 HE2 MET A 1 2.736 -5.591 -11.895 1.00 73.30 H new ATOM 0 HE3 MET A 1 1.242 -4.644 -12.085 1.00 73.30 H new ATOM 18 N ASP A 2 3.662 -1.968 -6.170 1.00 22.45 N ATOM 19 CA ASP A 2 4.715 -0.966 -6.061 1.00 4.32 C ATOM 20 C ASP A 2 5.931 -1.531 -5.334 1.00 23.35 C ATOM 21 O ASP A 2 6.414 -0.946 -4.364 1.00 4.11 O ATOM 22 CB ASP A 2 4.197 0.272 -5.327 1.00 12.00 C ATOM 23 CG ASP A 2 3.278 1.114 -6.190 1.00 42.31 C ATOM 24 OD1 ASP A 2 3.791 1.960 -6.953 1.00 72.13 O ATOM 25 OD2 ASP A 2 2.047 0.927 -6.103 1.00 53.52 O ATOM 0 H ASP A 2 3.680 -2.679 -5.439 1.00 22.45 H new ATOM 0 HA ASP A 2 5.017 -0.682 -7.069 1.00 4.32 H new ATOM 0 HB2 ASP A 2 3.664 -0.038 -4.429 1.00 12.00 H new ATOM 0 HB3 ASP A 2 5.042 0.879 -5.002 1.00 12.00 H new ATOM 30 N ILE A 3 6.420 -2.672 -5.807 1.00 73.44 N ATOM 31 CA ILE A 3 7.579 -3.317 -5.202 1.00 52.41 C ATOM 32 C ILE A 3 8.876 -2.662 -5.665 1.00 52.13 C ATOM 33 O ILE A 3 8.896 -1.935 -6.659 1.00 10.14 O ATOM 34 CB ILE A 3 7.627 -4.819 -5.537 1.00 51.04 C ATOM 35 CG1 ILE A 3 6.213 -5.403 -5.566 1.00 50.12 C ATOM 36 CG2 ILE A 3 8.491 -5.559 -4.528 1.00 22.52 C ATOM 37 CD1 ILE A 3 5.652 -5.558 -6.962 1.00 73.03 C ATOM 0 H ILE A 3 6.031 -3.169 -6.608 1.00 73.44 H new ATOM 0 HA ILE A 3 7.479 -3.198 -4.123 1.00 52.41 H new ATOM 0 HB ILE A 3 8.071 -4.942 -6.525 1.00 51.04 H new ATOM 0 HG12 ILE A 3 6.221 -6.377 -5.076 1.00 50.12 H new ATOM 0 HG13 ILE A 3 5.551 -4.760 -4.986 1.00 50.12 H new ATOM 0 HG21 ILE A 3 8.515 -6.620 -4.778 1.00 22.52 H new ATOM 0 HG22 ILE A 3 9.504 -5.157 -4.552 1.00 22.52 H new ATOM 0 HG23 ILE A 3 8.074 -5.431 -3.529 1.00 22.52 H new ATOM 0 HD11 ILE A 3 4.647 -5.977 -6.906 1.00 73.03 H new ATOM 0 HD12 ILE A 3 5.612 -4.583 -7.448 1.00 73.03 H new ATOM 0 HD13 ILE A 3 6.292 -6.225 -7.539 1.00 73.03 H new ATOM 49 N ASP A 4 9.957 -2.926 -4.940 1.00 60.22 N ATOM 50 CA ASP A 4 11.260 -2.365 -5.278 1.00 61.31 C ATOM 51 C ASP A 4 11.885 -3.112 -6.452 1.00 63.22 C ATOM 52 O ASP A 4 12.931 -2.716 -6.967 1.00 63.31 O ATOM 53 CB ASP A 4 12.193 -2.421 -4.067 1.00 73.21 C ATOM 54 CG ASP A 4 11.734 -1.516 -2.941 1.00 0.02 C ATOM 55 OD1 ASP A 4 11.868 -1.917 -1.765 1.00 54.43 O ATOM 56 OD2 ASP A 4 11.242 -0.407 -3.235 1.00 3.52 O ATOM 0 H ASP A 4 9.957 -3.525 -4.114 1.00 60.22 H new ATOM 0 HA ASP A 4 11.116 -1.324 -5.568 1.00 61.31 H new ATOM 0 HB2 ASP A 4 12.251 -3.447 -3.704 1.00 73.21 H new ATOM 0 HB3 ASP A 4 13.199 -2.134 -4.373 1.00 73.21 H new ATOM 61 N PHE A 5 11.238 -4.195 -6.870 1.00 62.01 N ATOM 62 CA PHE A 5 11.732 -4.999 -7.982 1.00 52.12 C ATOM 63 C PHE A 5 11.477 -4.300 -9.314 1.00 53.41 C ATOM 64 O PHE A 5 11.994 -4.711 -10.353 1.00 33.24 O ATOM 65 CB PHE A 5 11.064 -6.376 -7.980 1.00 11.51 C ATOM 66 CG PHE A 5 11.547 -7.278 -9.079 1.00 60.00 C ATOM 67 CD1 PHE A 5 10.646 -7.905 -9.925 1.00 24.55 C ATOM 68 CD2 PHE A 5 12.902 -7.499 -9.266 1.00 70.42 C ATOM 69 CE1 PHE A 5 11.088 -8.736 -10.937 1.00 73.32 C ATOM 70 CE2 PHE A 5 13.349 -8.329 -10.277 1.00 41.23 C ATOM 71 CZ PHE A 5 12.441 -8.949 -11.113 1.00 50.00 C ATOM 0 H PHE A 5 10.371 -4.536 -6.456 1.00 62.01 H new ATOM 0 HA PHE A 5 12.808 -5.124 -7.857 1.00 52.12 H new ATOM 0 HB2 PHE A 5 11.246 -6.858 -7.019 1.00 11.51 H new ATOM 0 HB3 PHE A 5 9.986 -6.248 -8.073 1.00 11.51 H new ATOM 0 HD1 PHE A 5 9.587 -7.742 -9.792 1.00 24.55 H new ATOM 0 HD2 PHE A 5 13.617 -7.018 -8.615 1.00 70.42 H new ATOM 0 HE1 PHE A 5 10.376 -9.219 -11.590 1.00 73.32 H new ATOM 0 HE2 PHE A 5 14.408 -8.493 -10.413 1.00 41.23 H new ATOM 0 HZ PHE A 5 12.788 -9.599 -11.903 1.00 50.00 H new ATOM 81 N SER A 6 10.675 -3.240 -9.275 1.00 43.23 N ATOM 82 CA SER A 6 10.347 -2.485 -10.479 1.00 62.11 C ATOM 83 C SER A 6 9.910 -1.066 -10.128 1.00 73.22 C ATOM 84 O SER A 6 8.753 -0.828 -9.778 1.00 23.42 O ATOM 85 CB SER A 6 9.241 -3.192 -11.264 1.00 61.44 C ATOM 86 OG SER A 6 8.028 -3.210 -10.533 1.00 15.10 O ATOM 0 H SER A 6 10.241 -2.885 -8.423 1.00 43.23 H new ATOM 0 HA SER A 6 11.242 -2.428 -11.098 1.00 62.11 H new ATOM 0 HB2 SER A 6 9.087 -2.686 -12.217 1.00 61.44 H new ATOM 0 HB3 SER A 6 9.548 -4.213 -11.491 1.00 61.44 H new ATOM 0 HG SER A 6 7.790 -2.296 -10.271 1.00 15.10 H new ATOM 92 N THR A 7 10.843 -0.125 -10.225 1.00 4.30 N ATOM 93 CA THR A 7 10.557 1.271 -9.917 1.00 74.32 C ATOM 94 C THR A 7 11.530 2.202 -10.631 1.00 15.31 C ATOM 95 O THR A 7 11.724 3.347 -10.220 1.00 73.21 O ATOM 96 CB THR A 7 10.626 1.537 -8.402 1.00 1.52 C ATOM 97 OG1 THR A 7 11.595 0.675 -7.796 1.00 65.24 O ATOM 98 CG2 THR A 7 9.269 1.319 -7.751 1.00 75.20 C ATOM 0 H THR A 7 11.804 -0.304 -10.515 1.00 4.30 H new ATOM 0 HA THR A 7 9.544 1.471 -10.267 1.00 74.32 H new ATOM 0 HB THR A 7 10.920 2.576 -8.252 1.00 1.52 H new ATOM 0 HG1 THR A 7 11.523 0.736 -6.821 1.00 65.24 H new ATOM 0 HG21 THR A 7 9.343 1.513 -6.681 1.00 75.20 H new ATOM 0 HG22 THR A 7 8.540 1.998 -8.193 1.00 75.20 H new ATOM 0 HG23 THR A 7 8.950 0.289 -7.912 1.00 75.20 H new ATOM 106 N CYS A 8 12.139 1.706 -11.702 1.00 71.22 N ATOM 107 CA CYS A 8 13.092 2.494 -12.474 1.00 62.42 C ATOM 108 C CYS A 8 12.856 2.319 -13.972 1.00 31.34 C ATOM 109 O CYS A 8 12.206 1.366 -14.401 1.00 13.13 O ATOM 110 CB CYS A 8 14.525 2.088 -12.122 1.00 34.20 C ATOM 111 SG CYS A 8 15.763 3.389 -12.428 1.00 34.30 S ATOM 0 H CYS A 8 11.989 0.761 -12.056 1.00 71.22 H new ATOM 0 HA CYS A 8 12.946 3.544 -12.221 1.00 62.42 H new ATOM 0 HB2 CYS A 8 14.563 1.805 -11.070 1.00 34.20 H new ATOM 0 HB3 CYS A 8 14.793 1.203 -12.700 1.00 34.20 H new ATOM 116 N ALA A 9 13.389 3.245 -14.761 1.00 41.23 N ATOM 117 CA ALA A 9 13.239 3.193 -16.210 1.00 73.32 C ATOM 118 C ALA A 9 14.047 2.044 -16.805 1.00 12.23 C ATOM 119 O ALA A 9 13.900 1.714 -17.982 1.00 23.25 O ATOM 120 CB ALA A 9 13.661 4.515 -16.833 1.00 14.31 C ATOM 0 H ALA A 9 13.929 4.041 -14.421 1.00 41.23 H new ATOM 0 HA ALA A 9 12.187 3.018 -16.435 1.00 73.32 H new ATOM 0 HB1 ALA A 9 13.544 4.461 -17.915 1.00 14.31 H new ATOM 0 HB2 ALA A 9 13.037 5.318 -16.440 1.00 14.31 H new ATOM 0 HB3 ALA A 9 14.705 4.715 -16.591 1.00 14.31 H new ATOM 126 N ARG A 10 14.900 1.440 -15.984 1.00 51.10 N ATOM 127 CA ARG A 10 15.733 0.330 -16.430 1.00 33.30 C ATOM 128 C ARG A 10 15.042 -1.006 -16.172 1.00 32.13 C ATOM 129 O ARG A 10 15.697 -2.038 -16.034 1.00 21.44 O ATOM 130 CB ARG A 10 17.087 0.362 -15.718 1.00 75.33 C ATOM 131 CG ARG A 10 17.762 1.723 -15.755 1.00 60.25 C ATOM 132 CD ARG A 10 18.090 2.143 -17.180 1.00 4.14 C ATOM 133 NE ARG A 10 19.444 2.679 -17.294 1.00 1.23 N ATOM 134 CZ ARG A 10 20.535 1.922 -17.315 1.00 22.35 C ATOM 135 NH1 ARG A 10 20.432 0.603 -17.230 1.00 22.41 N ATOM 136 NH2 ARG A 10 21.733 2.484 -17.421 1.00 35.32 N ATOM 0 H ARG A 10 15.032 1.701 -15.007 1.00 51.10 H new ATOM 0 HA ARG A 10 15.892 0.436 -17.503 1.00 33.30 H new ATOM 0 HB2 ARG A 10 16.949 0.062 -14.679 1.00 75.33 H new ATOM 0 HB3 ARG A 10 17.747 -0.374 -16.177 1.00 75.33 H new ATOM 0 HG2 ARG A 10 17.110 2.466 -15.296 1.00 60.25 H new ATOM 0 HG3 ARG A 10 18.677 1.693 -15.163 1.00 60.25 H new ATOM 0 HD2 ARG A 10 17.982 1.286 -17.845 1.00 4.14 H new ATOM 0 HD3 ARG A 10 17.373 2.895 -17.511 1.00 4.14 H new ATOM 0 HE ARG A 10 19.558 3.690 -17.361 1.00 1.23 H new ATOM 0 HH11 ARG A 10 19.513 0.167 -17.148 1.00 22.41 H new ATOM 0 HH12 ARG A 10 21.271 0.024 -17.246 1.00 22.41 H new ATOM 0 HH21 ARG A 10 21.816 3.498 -17.486 1.00 35.32 H new ATOM 0 HH22 ARG A 10 22.570 1.901 -17.437 1.00 35.32 H new ATOM 150 N MET A 11 13.715 -0.977 -16.107 1.00 74.22 N ATOM 151 CA MET A 11 12.935 -2.186 -15.866 1.00 41.11 C ATOM 152 C MET A 11 12.575 -2.872 -17.180 1.00 51.42 C ATOM 153 O MET A 11 12.977 -2.425 -18.255 1.00 14.22 O ATOM 154 CB MET A 11 11.662 -1.850 -15.087 1.00 21.43 C ATOM 155 CG MET A 11 11.701 -2.302 -13.636 1.00 21.12 C ATOM 156 SD MET A 11 11.665 -4.097 -13.466 1.00 10.21 S ATOM 157 CE MET A 11 10.041 -4.467 -14.124 1.00 53.41 C ATOM 0 H MET A 11 13.157 -0.130 -16.218 1.00 74.22 H new ATOM 0 HA MET A 11 13.544 -2.870 -15.275 1.00 41.11 H new ATOM 0 HB2 MET A 11 11.500 -0.773 -15.119 1.00 21.43 H new ATOM 0 HB3 MET A 11 10.810 -2.316 -15.581 1.00 21.43 H new ATOM 0 HG2 MET A 11 12.603 -1.914 -13.163 1.00 21.12 H new ATOM 0 HG3 MET A 11 10.852 -1.873 -13.103 1.00 21.12 H new ATOM 0 HE1 MET A 11 9.491 -5.082 -13.411 1.00 53.41 H new ATOM 0 HE2 MET A 11 9.498 -3.538 -14.297 1.00 53.41 H new ATOM 0 HE3 MET A 11 10.144 -5.007 -15.065 1.00 53.41 H new ATOM 167 N ASP A 12 11.816 -3.958 -17.087 1.00 24.23 N ATOM 168 CA ASP A 12 11.402 -4.705 -18.269 1.00 34.14 C ATOM 169 C ASP A 12 10.372 -3.919 -19.074 1.00 74.41 C ATOM 170 O ASP A 12 10.139 -4.203 -20.249 1.00 44.04 O ATOM 171 CB ASP A 12 10.824 -6.062 -17.864 1.00 33.03 C ATOM 172 CG ASP A 12 11.369 -7.198 -18.706 1.00 64.30 C ATOM 173 OD1 ASP A 12 11.550 -8.308 -18.161 1.00 53.32 O ATOM 174 OD2 ASP A 12 11.615 -6.978 -19.910 1.00 63.53 O ATOM 0 H ASP A 12 11.475 -4.341 -16.205 1.00 24.23 H new ATOM 0 HA ASP A 12 12.280 -4.865 -18.894 1.00 34.14 H new ATOM 0 HB2 ASP A 12 11.050 -6.251 -16.814 1.00 33.03 H new ATOM 0 HB3 ASP A 12 9.738 -6.033 -17.957 1.00 33.03 H new ATOM 179 N VAL A 13 9.755 -2.931 -18.433 1.00 45.04 N ATOM 180 CA VAL A 13 8.750 -2.104 -19.090 1.00 30.11 C ATOM 181 C VAL A 13 9.243 -0.672 -19.262 1.00 44.12 C ATOM 182 O VAL A 13 8.833 0.243 -18.547 1.00 25.51 O ATOM 183 CB VAL A 13 7.430 -2.089 -18.296 1.00 3.31 C ATOM 184 CG1 VAL A 13 6.660 -3.382 -18.515 1.00 22.14 C ATOM 185 CG2 VAL A 13 7.702 -1.864 -16.816 1.00 60.20 C ATOM 0 H VAL A 13 9.934 -2.684 -17.460 1.00 45.04 H new ATOM 0 HA VAL A 13 8.571 -2.543 -20.071 1.00 30.11 H new ATOM 0 HB VAL A 13 6.817 -1.264 -18.659 1.00 3.31 H new ATOM 0 HG11 VAL A 13 5.731 -3.353 -17.946 1.00 22.14 H new ATOM 0 HG12 VAL A 13 6.433 -3.495 -19.575 1.00 22.14 H new ATOM 0 HG13 VAL A 13 7.264 -4.226 -18.181 1.00 22.14 H new ATOM 0 HG21 VAL A 13 6.759 -1.856 -16.270 1.00 60.20 H new ATOM 0 HG22 VAL A 13 8.335 -2.666 -16.436 1.00 60.20 H new ATOM 0 HG23 VAL A 13 8.208 -0.908 -16.680 1.00 60.20 H new ATOM 195 N PRO A 14 10.145 -0.470 -20.234 1.00 50.34 N ATOM 196 CA PRO A 14 10.714 0.850 -20.525 1.00 34.13 C ATOM 197 C PRO A 14 9.691 1.799 -21.141 1.00 22.12 C ATOM 198 O PRO A 14 9.957 2.990 -21.306 1.00 32.13 O ATOM 199 CB PRO A 14 11.830 0.543 -21.526 1.00 74.24 C ATOM 200 CG PRO A 14 11.414 -0.731 -22.178 1.00 52.20 C ATOM 201 CD PRO A 14 10.678 -1.514 -21.126 1.00 4.44 C ATOM 0 HA PRO A 14 11.060 1.353 -19.622 1.00 34.13 H new ATOM 0 HB2 PRO A 14 11.938 1.345 -22.257 1.00 74.24 H new ATOM 0 HB3 PRO A 14 12.792 0.436 -21.026 1.00 74.24 H new ATOM 0 HG2 PRO A 14 10.775 -0.538 -23.039 1.00 52.20 H new ATOM 0 HG3 PRO A 14 12.280 -1.284 -22.542 1.00 52.20 H new ATOM 0 HD2 PRO A 14 9.881 -2.118 -21.559 1.00 4.44 H new ATOM 0 HD3 PRO A 14 11.342 -2.196 -20.595 1.00 4.44 H new ATOM 209 N ILE A 15 8.523 1.264 -21.478 1.00 53.13 N ATOM 210 CA ILE A 15 7.461 2.065 -22.075 1.00 35.34 C ATOM 211 C ILE A 15 7.186 3.317 -21.249 1.00 24.02 C ATOM 212 O ILE A 15 6.792 4.354 -21.785 1.00 22.42 O ATOM 213 CB ILE A 15 6.156 1.257 -22.211 1.00 0.42 C ATOM 214 CG1 ILE A 15 5.828 0.551 -20.894 1.00 12.23 C ATOM 215 CG2 ILE A 15 6.273 0.249 -23.344 1.00 11.10 C ATOM 216 CD1 ILE A 15 4.420 0.002 -20.837 1.00 75.12 C ATOM 0 H ILE A 15 8.288 0.280 -21.348 1.00 53.13 H new ATOM 0 HA ILE A 15 7.805 2.356 -23.068 1.00 35.34 H new ATOM 0 HB ILE A 15 5.343 1.944 -22.445 1.00 0.42 H new ATOM 0 HG12 ILE A 15 6.534 -0.266 -20.743 1.00 12.23 H new ATOM 0 HG13 ILE A 15 5.970 1.251 -20.071 1.00 12.23 H new ATOM 0 HG21 ILE A 15 5.343 -0.314 -23.428 1.00 11.10 H new ATOM 0 HG22 ILE A 15 6.465 0.774 -24.280 1.00 11.10 H new ATOM 0 HG23 ILE A 15 7.095 -0.436 -23.138 1.00 11.10 H new ATOM 0 HD11 ILE A 15 4.258 -0.485 -19.875 1.00 75.12 H new ATOM 0 HD12 ILE A 15 3.706 0.817 -20.956 1.00 75.12 H new ATOM 0 HD13 ILE A 15 4.279 -0.723 -21.639 1.00 75.12 H new ATOM 228 N LEU A 16 7.399 3.215 -19.942 1.00 21.05 N ATOM 229 CA LEU A 16 7.177 4.340 -19.040 1.00 40.32 C ATOM 230 C LEU A 16 8.452 4.688 -18.278 1.00 60.34 C ATOM 231 O LEU A 16 8.548 4.464 -17.071 1.00 52.25 O ATOM 232 CB LEU A 16 6.053 4.016 -18.055 1.00 30.33 C ATOM 233 CG LEU A 16 4.636 4.363 -18.514 1.00 65.33 C ATOM 234 CD1 LEU A 16 4.515 5.853 -18.791 1.00 42.13 C ATOM 235 CD2 LEU A 16 4.264 3.557 -19.750 1.00 63.41 C ATOM 0 H LEU A 16 7.725 2.365 -19.483 1.00 21.05 H new ATOM 0 HA LEU A 16 6.888 5.203 -19.640 1.00 40.32 H new ATOM 0 HB2 LEU A 16 6.090 2.950 -17.831 1.00 30.33 H new ATOM 0 HB3 LEU A 16 6.251 4.545 -17.123 1.00 30.33 H new ATOM 0 HG LEU A 16 3.942 4.105 -17.714 1.00 65.33 H new ATOM 0 HD11 LEU A 16 3.500 6.081 -19.116 1.00 42.13 H new ATOM 0 HD12 LEU A 16 4.739 6.411 -17.882 1.00 42.13 H new ATOM 0 HD13 LEU A 16 5.219 6.136 -19.573 1.00 42.13 H new ATOM 0 HD21 LEU A 16 3.253 3.817 -20.063 1.00 63.41 H new ATOM 0 HD22 LEU A 16 4.962 3.783 -20.556 1.00 63.41 H new ATOM 0 HD23 LEU A 16 4.310 2.493 -19.518 1.00 63.41 H new ATOM 247 N LYS A 17 9.429 5.238 -18.991 1.00 24.11 N ATOM 248 CA LYS A 17 10.698 5.620 -18.383 1.00 2.42 C ATOM 249 C LYS A 17 10.515 6.809 -17.444 1.00 63.40 C ATOM 250 O LYS A 17 10.975 6.788 -16.302 1.00 60.41 O ATOM 251 CB LYS A 17 11.723 5.965 -19.466 1.00 11.52 C ATOM 252 CG LYS A 17 12.019 4.814 -20.411 1.00 45.44 C ATOM 253 CD LYS A 17 13.435 4.893 -20.959 1.00 54.22 C ATOM 254 CE LYS A 17 14.372 3.952 -20.219 1.00 21.22 C ATOM 255 NZ LYS A 17 15.611 4.644 -19.769 1.00 25.13 N ATOM 0 H LYS A 17 9.366 5.429 -19.991 1.00 24.11 H new ATOM 0 HA LYS A 17 11.064 4.773 -17.802 1.00 2.42 H new ATOM 0 HB2 LYS A 17 11.357 6.814 -20.044 1.00 11.52 H new ATOM 0 HB3 LYS A 17 12.651 6.280 -18.989 1.00 11.52 H new ATOM 0 HG2 LYS A 17 11.883 3.868 -19.887 1.00 45.44 H new ATOM 0 HG3 LYS A 17 11.307 4.827 -21.236 1.00 45.44 H new ATOM 0 HD2 LYS A 17 13.430 4.643 -22.020 1.00 54.22 H new ATOM 0 HD3 LYS A 17 13.803 5.916 -20.874 1.00 54.22 H new ATOM 0 HE2 LYS A 17 13.857 3.531 -19.355 1.00 21.22 H new ATOM 0 HE3 LYS A 17 14.637 3.118 -20.869 1.00 21.22 H new ATOM 0 HZ1 LYS A 17 16.224 3.969 -19.269 1.00 25.13 H new ATOM 0 HZ2 LYS A 17 16.116 5.024 -20.595 1.00 25.13 H new ATOM 0 HZ3 LYS A 17 15.360 5.424 -19.128 1.00 25.13 H new ATOM 269 N LYS A 18 9.840 7.844 -17.932 1.00 30.31 N ATOM 270 CA LYS A 18 9.593 9.040 -17.136 1.00 42.43 C ATOM 271 C LYS A 18 8.735 8.716 -15.918 1.00 15.40 C ATOM 272 O LYS A 18 8.939 9.269 -14.838 1.00 3.31 O ATOM 273 CB LYS A 18 8.906 10.111 -17.987 1.00 64.04 C ATOM 274 CG LYS A 18 8.805 11.462 -17.300 1.00 62.23 C ATOM 275 CD LYS A 18 9.701 12.494 -17.965 1.00 30.23 C ATOM 276 CE LYS A 18 11.160 12.291 -17.587 1.00 3.24 C ATOM 277 NZ LYS A 18 11.589 13.225 -16.509 1.00 11.30 N ATOM 0 H LYS A 18 9.454 7.879 -18.876 1.00 30.31 H new ATOM 0 HA LYS A 18 10.554 9.420 -16.790 1.00 42.43 H new ATOM 0 HB2 LYS A 18 9.455 10.228 -18.921 1.00 64.04 H new ATOM 0 HB3 LYS A 18 7.904 9.769 -18.247 1.00 64.04 H new ATOM 0 HG2 LYS A 18 7.771 11.807 -17.324 1.00 62.23 H new ATOM 0 HG3 LYS A 18 9.083 11.360 -16.251 1.00 62.23 H new ATOM 0 HD2 LYS A 18 9.592 12.429 -19.048 1.00 30.23 H new ATOM 0 HD3 LYS A 18 9.384 13.495 -17.673 1.00 30.23 H new ATOM 0 HE2 LYS A 18 11.310 11.263 -17.258 1.00 3.24 H new ATOM 0 HE3 LYS A 18 11.787 12.439 -18.466 1.00 3.24 H new ATOM 0 HZ1 LYS A 18 12.589 13.055 -16.280 1.00 11.30 H new ATOM 0 HZ2 LYS A 18 11.470 14.206 -16.832 1.00 11.30 H new ATOM 0 HZ3 LYS A 18 11.008 13.067 -15.661 1.00 11.30 H new ATOM 291 N ALA A 19 7.774 7.816 -16.099 1.00 70.03 N ATOM 292 CA ALA A 19 6.887 7.416 -15.014 1.00 0.01 C ATOM 293 C ALA A 19 7.623 6.554 -13.993 1.00 54.51 C ATOM 294 O ALA A 19 7.292 6.562 -12.808 1.00 4.13 O ATOM 295 CB ALA A 19 5.681 6.670 -15.566 1.00 11.45 C ATOM 0 H ALA A 19 7.590 7.350 -16.987 1.00 70.03 H new ATOM 0 HA ALA A 19 6.542 8.318 -14.508 1.00 0.01 H new ATOM 0 HB1 ALA A 19 5.027 6.377 -14.745 1.00 11.45 H new ATOM 0 HB2 ALA A 19 5.135 7.318 -16.251 1.00 11.45 H new ATOM 0 HB3 ALA A 19 6.016 5.780 -16.098 1.00 11.45 H new ATOM 301 N ALA A 20 8.620 5.812 -14.462 1.00 4.14 N ATOM 302 CA ALA A 20 9.403 4.946 -13.589 1.00 3.12 C ATOM 303 C ALA A 20 10.089 5.750 -12.490 1.00 3.04 C ATOM 304 O ALA A 20 10.058 5.370 -11.319 1.00 54.34 O ATOM 305 CB ALA A 20 10.432 4.171 -14.399 1.00 40.30 C ATOM 0 H ALA A 20 8.905 5.793 -15.441 1.00 4.14 H new ATOM 0 HA ALA A 20 8.722 4.239 -13.115 1.00 3.12 H new ATOM 0 HB1 ALA A 20 11.009 3.529 -13.734 1.00 40.30 H new ATOM 0 HB2 ALA A 20 9.923 3.559 -15.144 1.00 40.30 H new ATOM 0 HB3 ALA A 20 11.102 4.870 -14.900 1.00 40.30 H new ATOM 311 N GLN A 21 10.709 6.861 -12.874 1.00 52.23 N ATOM 312 CA GLN A 21 11.404 7.717 -11.920 1.00 53.32 C ATOM 313 C GLN A 21 10.429 8.305 -10.905 1.00 73.32 C ATOM 314 O GLN A 21 10.795 8.576 -9.763 1.00 10.04 O ATOM 315 CB GLN A 21 12.136 8.843 -12.652 1.00 41.13 C ATOM 316 CG GLN A 21 13.638 8.629 -12.750 1.00 10.21 C ATOM 317 CD GLN A 21 14.278 9.472 -13.835 1.00 3.41 C ATOM 318 OE1 GLN A 21 14.210 10.701 -13.804 1.00 15.41 O ATOM 319 NE2 GLN A 21 14.906 8.815 -14.803 1.00 23.23 N ATOM 0 H GLN A 21 10.744 7.189 -13.839 1.00 52.23 H new ATOM 0 HA GLN A 21 12.132 7.106 -11.386 1.00 53.32 H new ATOM 0 HB2 GLN A 21 11.725 8.939 -13.657 1.00 41.13 H new ATOM 0 HB3 GLN A 21 11.944 9.785 -12.137 1.00 41.13 H new ATOM 0 HG2 GLN A 21 14.098 8.867 -11.791 1.00 10.21 H new ATOM 0 HG3 GLN A 21 13.839 7.576 -12.947 1.00 10.21 H new ATOM 0 HE21 GLN A 21 14.938 7.796 -14.790 1.00 23.23 H new ATOM 0 HE22 GLN A 21 15.356 9.330 -15.560 1.00 23.23 H new ATOM 328 N GLY A 22 9.184 8.499 -11.331 1.00 41.21 N ATOM 329 CA GLY A 22 8.176 9.054 -10.447 1.00 73.12 C ATOM 330 C GLY A 22 8.031 8.262 -9.163 1.00 24.31 C ATOM 331 O GLY A 22 7.669 8.812 -8.122 1.00 44.32 O ATOM 0 H GLY A 22 8.856 8.282 -12.272 1.00 41.21 H new ATOM 0 HA2 GLY A 22 8.436 10.085 -10.207 1.00 73.12 H new ATOM 0 HA3 GLY A 22 7.217 9.079 -10.965 1.00 73.12 H new ATOM 335 N LEU A 23 8.313 6.965 -9.235 1.00 10.44 N ATOM 336 CA LEU A 23 8.211 6.095 -8.069 1.00 21.34 C ATOM 337 C LEU A 23 9.349 6.362 -7.089 1.00 20.35 C ATOM 338 O LEU A 23 9.466 5.695 -6.060 1.00 12.44 O ATOM 339 CB LEU A 23 8.228 4.627 -8.500 1.00 44.32 C ATOM 340 CG LEU A 23 6.973 4.122 -9.213 1.00 1.54 C ATOM 341 CD1 LEU A 23 7.322 3.582 -10.591 1.00 23.15 C ATOM 342 CD2 LEU A 23 6.280 3.055 -8.379 1.00 34.11 C ATOM 0 H LEU A 23 8.614 6.494 -10.088 1.00 10.44 H new ATOM 0 HA LEU A 23 7.267 6.309 -7.568 1.00 21.34 H new ATOM 0 HB2 LEU A 23 9.083 4.472 -9.159 1.00 44.32 H new ATOM 0 HB3 LEU A 23 8.392 4.011 -7.616 1.00 44.32 H new ATOM 0 HG LEU A 23 6.287 4.960 -9.338 1.00 1.54 H new ATOM 0 HD11 LEU A 23 6.416 3.227 -11.083 1.00 23.15 H new ATOM 0 HD12 LEU A 23 7.773 4.374 -11.189 1.00 23.15 H new ATOM 0 HD13 LEU A 23 8.027 2.757 -10.491 1.00 23.15 H new ATOM 0 HD21 LEU A 23 5.389 2.707 -8.901 1.00 34.11 H new ATOM 0 HD22 LEU A 23 6.960 2.217 -8.222 1.00 34.11 H new ATOM 0 HD23 LEU A 23 5.994 3.475 -7.415 1.00 34.11 H new ATOM 354 N CYS A 24 10.185 7.342 -7.414 1.00 1.15 N ATOM 355 CA CYS A 24 11.313 7.700 -6.562 1.00 21.40 C ATOM 356 C CYS A 24 11.213 9.153 -6.109 1.00 1.24 C ATOM 357 O CYS A 24 11.288 9.448 -4.915 1.00 54.34 O ATOM 358 CB CYS A 24 12.631 7.475 -7.305 1.00 44.23 C ATOM 359 SG CYS A 24 13.747 6.283 -6.498 1.00 33.44 S ATOM 0 H CYS A 24 10.103 7.903 -8.262 1.00 1.15 H new ATOM 0 HA CYS A 24 11.287 7.061 -5.680 1.00 21.40 H new ATOM 0 HB2 CYS A 24 12.412 7.125 -8.314 1.00 44.23 H new ATOM 0 HB3 CYS A 24 13.147 8.430 -7.404 1.00 44.23 H new ATOM 364 N ILE A 25 11.044 10.056 -7.069 1.00 11.25 N ATOM 365 CA ILE A 25 10.932 11.478 -6.768 1.00 44.10 C ATOM 366 C ILE A 25 9.650 11.779 -6.000 1.00 73.32 C ATOM 367 O ILE A 25 9.667 12.486 -4.992 1.00 31.20 O ATOM 368 CB ILE A 25 10.960 12.329 -8.052 1.00 22.43 C ATOM 369 CG1 ILE A 25 12.260 12.087 -8.821 1.00 43.15 C ATOM 370 CG2 ILE A 25 10.805 13.804 -7.713 1.00 60.31 C ATOM 371 CD1 ILE A 25 12.136 11.035 -9.902 1.00 4.53 C ATOM 0 H ILE A 25 10.982 9.828 -8.061 1.00 11.25 H new ATOM 0 HA ILE A 25 11.792 11.738 -6.150 1.00 44.10 H new ATOM 0 HB ILE A 25 10.124 12.032 -8.686 1.00 22.43 H new ATOM 0 HG12 ILE A 25 12.585 13.024 -9.273 1.00 43.15 H new ATOM 0 HG13 ILE A 25 13.037 11.785 -8.119 1.00 43.15 H new ATOM 0 HG21 ILE A 25 10.827 14.392 -8.630 1.00 60.31 H new ATOM 0 HG22 ILE A 25 9.855 13.962 -7.203 1.00 60.31 H new ATOM 0 HG23 ILE A 25 11.622 14.116 -7.063 1.00 60.31 H new ATOM 0 HD11 ILE A 25 13.095 10.916 -10.406 1.00 4.53 H new ATOM 0 HD12 ILE A 25 11.841 10.086 -9.454 1.00 4.53 H new ATOM 0 HD13 ILE A 25 11.382 11.344 -10.626 1.00 4.53 H new ATOM 383 N THR A 26 8.536 11.235 -6.483 1.00 3.34 N ATOM 384 CA THR A 26 7.244 11.444 -5.842 1.00 1.20 C ATOM 385 C THR A 26 7.112 10.597 -4.581 1.00 50.25 C ATOM 386 O THR A 26 6.539 11.036 -3.584 1.00 53.15 O ATOM 387 CB THR A 26 6.083 11.108 -6.797 1.00 11.14 C ATOM 388 OG1 THR A 26 5.379 12.303 -7.152 1.00 1.52 O ATOM 389 CG2 THR A 26 5.122 10.120 -6.153 1.00 11.00 C ATOM 0 H THR A 26 8.504 10.647 -7.316 1.00 3.34 H new ATOM 0 HA THR A 26 7.191 12.499 -5.574 1.00 1.20 H new ATOM 0 HB THR A 26 6.500 10.653 -7.695 1.00 11.14 H new ATOM 0 HG1 THR A 26 4.644 12.081 -7.761 1.00 1.52 H new ATOM 0 HG21 THR A 26 4.310 9.898 -6.846 1.00 11.00 H new ATOM 0 HG22 THR A 26 5.654 9.200 -5.910 1.00 11.00 H new ATOM 0 HG23 THR A 26 4.712 10.553 -5.241 1.00 11.00 H new ATOM 397 N SER A 27 7.647 9.381 -4.632 1.00 54.33 N ATOM 398 CA SER A 27 7.585 8.471 -3.495 1.00 4.23 C ATOM 399 C SER A 27 8.285 9.073 -2.280 1.00 23.43 C ATOM 400 O SER A 27 7.906 8.812 -1.138 1.00 32.34 O ATOM 401 CB SER A 27 8.226 7.129 -3.854 1.00 34.25 C ATOM 402 OG SER A 27 7.662 6.075 -3.091 1.00 42.24 O ATOM 0 H SER A 27 8.128 9.004 -5.449 1.00 54.33 H new ATOM 0 HA SER A 27 6.536 8.310 -3.246 1.00 4.23 H new ATOM 0 HB2 SER A 27 8.087 6.928 -4.916 1.00 34.25 H new ATOM 0 HB3 SER A 27 9.300 7.176 -3.677 1.00 34.25 H new ATOM 0 HG SER A 27 6.988 6.438 -2.479 1.00 42.24 H new ATOM 408 N CYS A 28 9.310 9.879 -2.534 1.00 51.42 N ATOM 409 CA CYS A 28 10.065 10.519 -1.463 1.00 71.34 C ATOM 410 C CYS A 28 9.252 11.638 -0.818 1.00 22.50 C ATOM 411 O CYS A 28 9.216 11.766 0.406 1.00 42.23 O ATOM 412 CB CYS A 28 11.383 11.077 -2.003 1.00 50.14 C ATOM 413 SG CYS A 28 12.862 10.460 -1.137 1.00 41.32 S ATOM 0 H CYS A 28 9.637 10.105 -3.473 1.00 51.42 H new ATOM 0 HA CYS A 28 10.281 9.767 -0.704 1.00 71.34 H new ATOM 0 HB2 CYS A 28 11.464 10.828 -3.061 1.00 50.14 H new ATOM 0 HB3 CYS A 28 11.361 12.164 -1.932 1.00 50.14 H new ATOM 418 N SER A 29 8.601 12.444 -1.650 1.00 2.20 N ATOM 419 CA SER A 29 7.792 13.554 -1.161 1.00 53.44 C ATOM 420 C SER A 29 6.730 13.063 -0.182 1.00 62.10 C ATOM 421 O SER A 29 6.349 13.776 0.746 1.00 73.42 O ATOM 422 CB SER A 29 7.125 14.281 -2.331 1.00 63.23 C ATOM 423 OG SER A 29 6.937 15.654 -2.038 1.00 42.41 O ATOM 0 H SER A 29 8.618 12.349 -2.665 1.00 2.20 H new ATOM 0 HA SER A 29 8.450 14.248 -0.638 1.00 53.44 H new ATOM 0 HB2 SER A 29 7.740 14.178 -3.225 1.00 63.23 H new ATOM 0 HB3 SER A 29 6.163 13.818 -2.550 1.00 63.23 H new ATOM 0 HG SER A 29 6.511 16.096 -2.802 1.00 42.41 H new ATOM 429 N MET A 30 6.257 11.839 -0.397 1.00 4.45 N ATOM 430 CA MET A 30 5.241 11.251 0.468 1.00 54.25 C ATOM 431 C MET A 30 5.830 10.876 1.823 1.00 22.43 C ATOM 432 O MET A 30 5.098 10.651 2.787 1.00 45.01 O ATOM 433 CB MET A 30 4.630 10.015 -0.196 1.00 53.40 C ATOM 434 CG MET A 30 4.378 10.187 -1.685 1.00 50.22 C ATOM 435 SD MET A 30 2.756 9.581 -2.190 1.00 45.30 S ATOM 436 CE MET A 30 2.718 7.991 -1.366 1.00 52.24 C ATOM 0 H MET A 30 6.561 11.236 -1.162 1.00 4.45 H new ATOM 0 HA MET A 30 4.459 11.994 0.626 1.00 54.25 H new ATOM 0 HB2 MET A 30 5.295 9.165 -0.044 1.00 53.40 H new ATOM 0 HB3 MET A 30 3.689 9.775 0.298 1.00 53.40 H new ATOM 0 HG2 MET A 30 4.464 11.242 -1.945 1.00 50.22 H new ATOM 0 HG3 MET A 30 5.150 9.657 -2.244 1.00 50.22 H new ATOM 0 HE1 MET A 30 2.125 7.291 -1.954 1.00 52.24 H new ATOM 0 HE2 MET A 30 3.734 7.610 -1.264 1.00 52.24 H new ATOM 0 HE3 MET A 30 2.272 8.104 -0.378 1.00 52.24 H new ATOM 446 N GLN A 31 7.156 10.809 1.889 1.00 1.21 N ATOM 447 CA GLN A 31 7.842 10.460 3.127 1.00 24.42 C ATOM 448 C GLN A 31 8.531 11.679 3.731 1.00 13.21 C ATOM 449 O GLN A 31 9.432 11.549 4.559 1.00 55.03 O ATOM 450 CB GLN A 31 8.869 9.354 2.872 1.00 54.44 C ATOM 451 CG GLN A 31 8.540 8.485 1.669 1.00 74.11 C ATOM 452 CD GLN A 31 8.917 7.032 1.879 1.00 70.34 C ATOM 453 OE1 GLN A 31 9.958 6.574 1.407 1.00 43.43 O ATOM 454 NE2 GLN A 31 8.070 6.297 2.590 1.00 62.31 N ATOM 0 H GLN A 31 7.776 10.992 1.100 1.00 1.21 H new ATOM 0 HA GLN A 31 7.097 10.099 3.835 1.00 24.42 H new ATOM 0 HB2 GLN A 31 9.850 9.807 2.726 1.00 54.44 H new ATOM 0 HB3 GLN A 31 8.938 8.723 3.758 1.00 54.44 H new ATOM 0 HG2 GLN A 31 7.473 8.553 1.458 1.00 74.11 H new ATOM 0 HG3 GLN A 31 9.063 8.869 0.794 1.00 74.11 H new ATOM 0 HE21 GLN A 31 7.219 6.717 2.963 1.00 62.31 H new ATOM 0 HE22 GLN A 31 8.271 5.312 2.764 1.00 62.31 H new ATOM 463 N ASN A 32 8.100 12.864 3.311 1.00 51.22 N ATOM 464 CA ASN A 32 8.676 14.108 3.810 1.00 73.21 C ATOM 465 C ASN A 32 10.132 14.246 3.375 1.00 14.02 C ATOM 466 O ASN A 32 10.982 14.692 4.147 1.00 73.14 O ATOM 467 CB ASN A 32 8.580 14.162 5.336 1.00 41.00 C ATOM 468 CG ASN A 32 8.497 15.583 5.860 1.00 63.21 C ATOM 469 OD1 ASN A 32 9.452 16.099 6.441 1.00 63.51 O ATOM 470 ND2 ASN A 32 7.352 16.222 5.656 1.00 15.43 N ATOM 0 H ASN A 32 7.354 12.989 2.627 1.00 51.22 H new ATOM 0 HA ASN A 32 8.109 14.938 3.387 1.00 73.21 H new ATOM 0 HB2 ASN A 32 7.701 13.605 5.662 1.00 41.00 H new ATOM 0 HB3 ASN A 32 9.449 13.668 5.770 1.00 41.00 H new ATOM 0 HD21 ASN A 32 7.237 17.180 5.986 1.00 15.43 H new ATOM 0 HD22 ASN A 32 6.587 15.755 5.169 1.00 15.43 H new ATOM 477 N CYS A 33 10.412 13.861 2.135 1.00 41.33 N ATOM 478 CA CYS A 33 11.764 13.942 1.596 1.00 62.13 C ATOM 479 C CYS A 33 11.879 15.076 0.581 1.00 32.01 C ATOM 480 O CYS A 33 10.949 15.862 0.405 1.00 10.24 O ATOM 481 CB CYS A 33 12.154 12.615 0.941 1.00 45.54 C ATOM 482 SG CYS A 33 12.332 11.232 2.112 1.00 63.41 S ATOM 0 H CYS A 33 9.720 13.490 1.484 1.00 41.33 H new ATOM 0 HA CYS A 33 12.446 14.147 2.421 1.00 62.13 H new ATOM 0 HB2 CYS A 33 11.400 12.353 0.198 1.00 45.54 H new ATOM 0 HB3 CYS A 33 13.095 12.748 0.407 1.00 45.54 H new ATOM 487 N GLY A 34 13.027 15.153 -0.085 1.00 1.42 N ATOM 488 CA GLY A 34 13.243 16.194 -1.073 1.00 74.34 C ATOM 489 C GLY A 34 13.220 15.659 -2.492 1.00 13.33 C ATOM 490 O GLY A 34 12.421 16.102 -3.318 1.00 32.12 O ATOM 0 H GLY A 34 13.811 14.513 0.042 1.00 1.42 H new ATOM 0 HA2 GLY A 34 12.475 16.960 -0.964 1.00 74.34 H new ATOM 0 HA3 GLY A 34 14.202 16.676 -0.885 1.00 74.34 H new ATOM 494 N THR A 35 14.100 14.705 -2.777 1.00 61.03 N ATOM 495 CA THR A 35 14.180 14.112 -4.106 1.00 60.41 C ATOM 496 C THR A 35 14.560 12.637 -4.028 1.00 0.40 C ATOM 497 O THR A 35 14.744 12.090 -2.941 1.00 53.45 O ATOM 498 CB THR A 35 15.205 14.848 -4.989 1.00 54.15 C ATOM 499 OG1 THR A 35 15.047 14.452 -6.357 1.00 12.44 O ATOM 500 CG2 THR A 35 16.625 14.553 -4.532 1.00 0.14 C ATOM 0 H THR A 35 14.768 14.326 -2.105 1.00 61.03 H new ATOM 0 HA THR A 35 13.191 14.207 -4.554 1.00 60.41 H new ATOM 0 HB THR A 35 15.026 15.919 -4.898 1.00 54.15 H new ATOM 0 HG1 THR A 35 15.701 14.926 -6.912 1.00 12.44 H new ATOM 0 HG21 THR A 35 17.331 15.084 -5.171 1.00 0.14 H new ATOM 0 HG22 THR A 35 16.751 14.882 -3.500 1.00 0.14 H new ATOM 0 HG23 THR A 35 16.813 13.481 -4.596 1.00 0.14 H new ATOM 508 N GLY A 36 14.677 11.999 -5.188 1.00 62.24 N ATOM 509 CA GLY A 36 15.036 10.593 -5.229 1.00 14.15 C ATOM 510 C GLY A 36 15.354 10.116 -6.632 1.00 34.34 C ATOM 511 O GLY A 36 14.572 10.327 -7.559 1.00 33.14 O ATOM 0 H GLY A 36 14.530 12.430 -6.100 1.00 62.24 H new ATOM 0 HA2 GLY A 36 15.900 10.423 -4.586 1.00 14.15 H new ATOM 0 HA3 GLY A 36 14.216 10.000 -4.824 1.00 14.15 H new ATOM 515 N SER A 37 16.506 9.471 -6.789 1.00 55.50 N ATOM 516 CA SER A 37 16.928 8.968 -8.091 1.00 30.34 C ATOM 517 C SER A 37 17.088 7.451 -8.060 1.00 71.32 C ATOM 518 O SER A 37 17.497 6.878 -7.050 1.00 20.12 O ATOM 519 CB SER A 37 18.245 9.622 -8.512 1.00 1.44 C ATOM 520 OG SER A 37 18.153 10.159 -9.820 1.00 34.11 O ATOM 0 H SER A 37 17.163 9.285 -6.031 1.00 55.50 H new ATOM 0 HA SER A 37 16.157 9.221 -8.818 1.00 30.34 H new ATOM 0 HB2 SER A 37 18.503 10.413 -7.808 1.00 1.44 H new ATOM 0 HB3 SER A 37 19.049 8.886 -8.473 1.00 1.44 H new ATOM 0 HG SER A 37 19.007 10.573 -10.065 1.00 34.11 H new ATOM 526 N CYS A 38 16.762 6.805 -9.175 1.00 41.31 N ATOM 527 CA CYS A 38 16.868 5.355 -9.279 1.00 1.05 C ATOM 528 C CYS A 38 17.963 4.959 -10.265 1.00 21.43 C ATOM 529 O CYS A 38 18.122 5.579 -11.316 1.00 75.24 O ATOM 530 CB CYS A 38 15.531 4.755 -9.716 1.00 74.22 C ATOM 531 SG CYS A 38 15.093 5.099 -11.451 1.00 24.21 S ATOM 0 H CYS A 38 16.422 7.264 -10.020 1.00 41.31 H new ATOM 0 HA CYS A 38 17.130 4.963 -8.296 1.00 1.05 H new ATOM 0 HB2 CYS A 38 15.564 3.676 -9.568 1.00 74.22 H new ATOM 0 HB3 CYS A 38 14.743 5.142 -9.070 1.00 74.22 H new ATOM 536 N LYS A 39 18.717 3.921 -9.918 1.00 33.24 N ATOM 537 CA LYS A 39 19.796 3.439 -10.771 1.00 61.02 C ATOM 538 C LYS A 39 19.896 1.918 -10.715 1.00 62.05 C ATOM 539 O LYS A 39 19.530 1.297 -9.717 1.00 53.33 O ATOM 540 CB LYS A 39 21.127 4.064 -10.347 1.00 41.23 C ATOM 541 CG LYS A 39 21.168 5.574 -10.506 1.00 15.35 C ATOM 542 CD LYS A 39 22.271 6.194 -9.665 1.00 24.31 C ATOM 543 CE LYS A 39 21.707 7.119 -8.598 1.00 51.42 C ATOM 544 NZ LYS A 39 21.881 8.553 -8.960 1.00 11.52 N ATOM 0 H LYS A 39 18.600 3.397 -9.051 1.00 33.24 H new ATOM 0 HA LYS A 39 19.574 3.733 -11.797 1.00 61.02 H new ATOM 0 HB2 LYS A 39 21.322 3.811 -9.305 1.00 41.23 H new ATOM 0 HB3 LYS A 39 21.930 3.623 -10.937 1.00 41.23 H new ATOM 0 HG2 LYS A 39 21.324 5.826 -11.555 1.00 15.35 H new ATOM 0 HG3 LYS A 39 20.206 5.997 -10.216 1.00 15.35 H new ATOM 0 HD2 LYS A 39 22.856 5.405 -9.192 1.00 24.31 H new ATOM 0 HD3 LYS A 39 22.951 6.752 -10.309 1.00 24.31 H new ATOM 0 HE2 LYS A 39 20.647 6.906 -8.456 1.00 51.42 H new ATOM 0 HE3 LYS A 39 22.202 6.922 -7.647 1.00 51.42 H new ATOM 0 HZ1 LYS A 39 21.484 9.152 -8.208 1.00 11.52 H new ATOM 0 HZ2 LYS A 39 22.894 8.763 -9.071 1.00 11.52 H new ATOM 0 HZ3 LYS A 39 21.387 8.748 -9.854 1.00 11.52 H new ATOM 558 N LYS A 40 20.396 1.323 -11.793 1.00 61.40 N ATOM 559 CA LYS A 40 20.548 -0.126 -11.867 1.00 14.35 C ATOM 560 C LYS A 40 21.685 -0.600 -10.967 1.00 74.22 C ATOM 561 O LYS A 40 22.854 -0.313 -11.225 1.00 14.30 O ATOM 562 CB LYS A 40 20.811 -0.559 -13.311 1.00 14.04 C ATOM 563 CG LYS A 40 19.582 -1.109 -14.014 1.00 12.11 C ATOM 564 CD LYS A 40 19.168 -2.455 -13.443 1.00 11.32 C ATOM 565 CE LYS A 40 18.329 -3.247 -14.434 1.00 44.22 C ATOM 566 NZ LYS A 40 19.166 -4.156 -15.266 1.00 53.11 N ATOM 0 H LYS A 40 20.703 1.822 -12.628 1.00 61.40 H new ATOM 0 HA LYS A 40 19.620 -0.582 -11.521 1.00 14.35 H new ATOM 0 HB2 LYS A 40 21.190 0.294 -13.874 1.00 14.04 H new ATOM 0 HB3 LYS A 40 21.593 -1.318 -13.317 1.00 14.04 H new ATOM 0 HG2 LYS A 40 18.758 -0.402 -13.915 1.00 12.11 H new ATOM 0 HG3 LYS A 40 19.787 -1.212 -15.080 1.00 12.11 H new ATOM 0 HD2 LYS A 40 20.057 -3.028 -13.178 1.00 11.32 H new ATOM 0 HD3 LYS A 40 18.601 -2.303 -12.525 1.00 11.32 H new ATOM 0 HE2 LYS A 40 17.584 -3.832 -13.894 1.00 44.22 H new ATOM 0 HE3 LYS A 40 17.786 -2.559 -15.082 1.00 44.22 H new ATOM 0 HZ1 LYS A 40 18.666 -4.375 -16.151 1.00 53.11 H new ATOM 0 HZ2 LYS A 40 20.070 -3.692 -15.485 1.00 53.11 H new ATOM 0 HZ3 LYS A 40 19.347 -5.037 -14.743 1.00 53.11 H new ATOM 580 N ARG A 41 21.334 -1.329 -9.913 1.00 21.04 N ATOM 581 CA ARG A 41 22.326 -1.843 -8.976 1.00 33.42 C ATOM 582 C ARG A 41 22.611 -3.319 -9.241 1.00 53.34 C ATOM 583 O ARG A 41 21.786 -4.183 -8.947 1.00 31.55 O ATOM 584 CB ARG A 41 21.843 -1.657 -7.536 1.00 60.41 C ATOM 585 CG ARG A 41 21.647 -0.202 -7.143 1.00 23.45 C ATOM 586 CD ARG A 41 22.964 0.558 -7.149 1.00 10.40 C ATOM 587 NE ARG A 41 23.903 0.036 -6.160 1.00 31.11 N ATOM 588 CZ ARG A 41 23.781 0.237 -4.853 1.00 32.04 C ATOM 589 NH1 ARG A 41 22.765 0.945 -4.380 1.00 14.15 N ATOM 590 NH2 ARG A 41 24.676 -0.271 -4.015 1.00 61.24 N ATOM 0 H ARG A 41 20.371 -1.577 -9.686 1.00 21.04 H new ATOM 0 HA ARG A 41 23.249 -1.281 -9.118 1.00 33.42 H new ATOM 0 HB2 ARG A 41 20.901 -2.190 -7.406 1.00 60.41 H new ATOM 0 HB3 ARG A 41 22.564 -2.114 -6.858 1.00 60.41 H new ATOM 0 HG2 ARG A 41 20.949 0.272 -7.833 1.00 23.45 H new ATOM 0 HG3 ARG A 41 21.199 -0.149 -6.151 1.00 23.45 H new ATOM 0 HD2 ARG A 41 23.412 0.498 -8.141 1.00 10.40 H new ATOM 0 HD3 ARG A 41 22.775 1.612 -6.948 1.00 10.40 H new ATOM 0 HE ARG A 41 24.696 -0.513 -6.491 1.00 31.11 H new ATOM 0 HH11 ARG A 41 22.075 1.337 -5.020 1.00 14.15 H new ATOM 0 HH12 ARG A 41 22.674 1.098 -3.376 1.00 14.15 H new ATOM 0 HH21 ARG A 41 25.459 -0.817 -4.375 1.00 61.24 H new ATOM 0 HH22 ARG A 41 24.581 -0.116 -3.011 1.00 61.24 H new ATOM 604 N SER A 42 23.784 -3.598 -9.801 1.00 33.23 N ATOM 605 CA SER A 42 24.176 -4.968 -10.110 1.00 71.13 C ATOM 606 C SER A 42 23.182 -5.614 -11.070 1.00 75.13 C ATOM 607 O SER A 42 22.965 -6.825 -11.035 1.00 54.55 O ATOM 608 CB SER A 42 24.274 -5.795 -8.827 1.00 62.21 C ATOM 609 OG SER A 42 25.537 -5.625 -8.206 1.00 74.11 O ATOM 0 H SER A 42 24.479 -2.894 -10.050 1.00 33.23 H new ATOM 0 HA SER A 42 25.154 -4.940 -10.591 1.00 71.13 H new ATOM 0 HB2 SER A 42 23.483 -5.498 -8.138 1.00 62.21 H new ATOM 0 HB3 SER A 42 24.117 -6.849 -9.057 1.00 62.21 H new ATOM 0 HG SER A 42 25.574 -6.162 -7.387 1.00 74.11 H new ATOM 615 N GLY A 43 22.579 -4.796 -11.928 1.00 2.31 N ATOM 616 CA GLY A 43 21.615 -5.304 -12.886 1.00 33.03 C ATOM 617 C GLY A 43 20.218 -5.403 -12.305 1.00 70.01 C ATOM 618 O GLY A 43 19.335 -6.023 -12.898 1.00 32.35 O ATOM 0 H GLY A 43 22.741 -3.790 -11.976 1.00 2.31 H new ATOM 0 HA2 GLY A 43 21.597 -4.652 -13.759 1.00 33.03 H new ATOM 0 HA3 GLY A 43 21.933 -6.288 -13.230 1.00 33.03 H new ATOM 622 N ARG A 44 20.018 -4.792 -11.142 1.00 54.22 N ATOM 623 CA ARG A 44 18.719 -4.816 -10.480 1.00 30.51 C ATOM 624 C ARG A 44 18.148 -3.407 -10.349 1.00 64.33 C ATOM 625 O ARG A 44 18.839 -2.465 -9.959 1.00 74.33 O ATOM 626 CB ARG A 44 18.840 -5.459 -9.097 1.00 61.40 C ATOM 627 CG ARG A 44 19.344 -6.893 -9.134 1.00 0.11 C ATOM 628 CD ARG A 44 18.370 -7.807 -9.860 1.00 33.43 C ATOM 629 NE ARG A 44 18.827 -8.135 -11.207 1.00 61.33 N ATOM 630 CZ ARG A 44 19.880 -8.905 -11.459 1.00 43.21 C ATOM 631 NH1 ARG A 44 20.581 -9.423 -10.460 1.00 32.12 N ATOM 632 NH2 ARG A 44 20.234 -9.158 -12.713 1.00 3.54 N ATOM 0 H ARG A 44 20.739 -4.274 -10.639 1.00 54.22 H new ATOM 0 HA ARG A 44 18.039 -5.409 -11.092 1.00 30.51 H new ATOM 0 HB2 ARG A 44 19.516 -4.861 -8.485 1.00 61.40 H new ATOM 0 HB3 ARG A 44 17.865 -5.438 -8.609 1.00 61.40 H new ATOM 0 HG2 ARG A 44 20.314 -6.926 -9.630 1.00 0.11 H new ATOM 0 HG3 ARG A 44 19.494 -7.254 -8.116 1.00 0.11 H new ATOM 0 HD2 ARG A 44 18.240 -8.726 -9.288 1.00 33.43 H new ATOM 0 HD3 ARG A 44 17.394 -7.325 -9.916 1.00 33.43 H new ATOM 0 HE ARG A 44 18.310 -7.752 -11.998 1.00 61.33 H new ATOM 0 HH11 ARG A 44 20.312 -9.231 -9.495 1.00 32.12 H new ATOM 0 HH12 ARG A 44 21.389 -10.014 -10.656 1.00 32.12 H new ATOM 0 HH21 ARG A 44 19.697 -8.761 -13.484 1.00 3.54 H new ATOM 0 HH22 ARG A 44 21.043 -9.749 -12.905 1.00 3.54 H new ATOM 646 N PRO A 45 16.858 -3.258 -10.683 1.00 40.23 N ATOM 647 CA PRO A 45 16.166 -1.967 -10.612 1.00 22.43 C ATOM 648 C PRO A 45 15.949 -1.505 -9.175 1.00 2.01 C ATOM 649 O PRO A 45 14.937 -1.830 -8.553 1.00 2.43 O ATOM 650 CB PRO A 45 14.824 -2.246 -11.292 1.00 73.50 C ATOM 651 CG PRO A 45 14.608 -3.710 -11.119 1.00 65.42 C ATOM 652 CD PRO A 45 15.975 -4.337 -11.156 1.00 71.12 C ATOM 0 HA PRO A 45 16.741 -1.170 -11.084 1.00 22.43 H new ATOM 0 HB2 PRO A 45 14.020 -1.670 -10.833 1.00 73.50 H new ATOM 0 HB3 PRO A 45 14.850 -1.972 -12.347 1.00 73.50 H new ATOM 0 HG2 PRO A 45 14.107 -3.922 -10.174 1.00 65.42 H new ATOM 0 HG3 PRO A 45 13.975 -4.108 -11.912 1.00 65.42 H new ATOM 0 HD2 PRO A 45 16.032 -5.214 -10.512 1.00 71.12 H new ATOM 0 HD3 PRO A 45 16.241 -4.662 -12.162 1.00 71.12 H new ATOM 660 N THR A 46 16.906 -0.744 -8.652 1.00 31.10 N ATOM 661 CA THR A 46 16.820 -0.237 -7.288 1.00 73.52 C ATOM 662 C THR A 46 16.477 1.248 -7.274 1.00 62.10 C ATOM 663 O THR A 46 17.011 2.026 -8.065 1.00 55.15 O ATOM 664 CB THR A 46 18.139 -0.456 -6.523 1.00 52.13 C ATOM 665 OG1 THR A 46 18.441 -1.854 -6.458 1.00 4.11 O ATOM 666 CG2 THR A 46 18.049 0.115 -5.116 1.00 43.32 C ATOM 0 H THR A 46 17.750 -0.465 -9.153 1.00 31.10 H new ATOM 0 HA THR A 46 16.025 -0.795 -6.793 1.00 73.52 H new ATOM 0 HB THR A 46 18.935 0.062 -7.058 1.00 52.13 H new ATOM 0 HG1 THR A 46 19.282 -1.985 -5.972 1.00 4.11 H new ATOM 0 HG21 THR A 46 18.992 -0.051 -4.595 1.00 43.32 H new ATOM 0 HG22 THR A 46 17.848 1.185 -5.170 1.00 43.32 H new ATOM 0 HG23 THR A 46 17.243 -0.379 -4.574 1.00 43.32 H new ATOM 674 N CYS A 47 15.585 1.636 -6.369 1.00 73.13 N ATOM 675 CA CYS A 47 15.171 3.029 -6.251 1.00 74.33 C ATOM 676 C CYS A 47 15.818 3.688 -5.037 1.00 22.32 C ATOM 677 O CYS A 47 15.617 3.256 -3.902 1.00 20.05 O ATOM 678 CB CYS A 47 13.647 3.122 -6.144 1.00 43.45 C ATOM 679 SG CYS A 47 12.920 4.505 -7.081 1.00 10.52 S ATOM 0 H CYS A 47 15.135 1.005 -5.706 1.00 73.13 H new ATOM 0 HA CYS A 47 15.499 3.557 -7.146 1.00 74.33 H new ATOM 0 HB2 CYS A 47 13.211 2.188 -6.498 1.00 43.45 H new ATOM 0 HB3 CYS A 47 13.373 3.224 -5.094 1.00 43.45 H new ATOM 684 N VAL A 48 16.597 4.736 -5.284 1.00 54.52 N ATOM 685 CA VAL A 48 17.273 5.457 -4.212 1.00 31.52 C ATOM 686 C VAL A 48 16.660 6.837 -4.006 1.00 4.35 C ATOM 687 O VAL A 48 16.193 7.469 -4.953 1.00 43.45 O ATOM 688 CB VAL A 48 18.777 5.612 -4.502 1.00 44.53 C ATOM 689 CG1 VAL A 48 19.541 5.907 -3.220 1.00 62.22 C ATOM 690 CG2 VAL A 48 19.321 4.365 -5.182 1.00 34.53 C ATOM 0 H VAL A 48 16.776 5.105 -6.218 1.00 54.52 H new ATOM 0 HA VAL A 48 17.145 4.868 -3.304 1.00 31.52 H new ATOM 0 HB VAL A 48 18.913 6.455 -5.180 1.00 44.53 H new ATOM 0 HG11 VAL A 48 20.602 6.013 -3.445 1.00 62.22 H new ATOM 0 HG12 VAL A 48 19.169 6.832 -2.779 1.00 62.22 H new ATOM 0 HG13 VAL A 48 19.400 5.087 -2.516 1.00 62.22 H new ATOM 0 HG21 VAL A 48 20.385 4.493 -5.379 1.00 34.53 H new ATOM 0 HG22 VAL A 48 19.174 3.502 -4.532 1.00 34.53 H new ATOM 0 HG23 VAL A 48 18.794 4.205 -6.123 1.00 34.53 H new ATOM 700 N CYS A 49 16.666 7.301 -2.760 1.00 61.13 N ATOM 701 CA CYS A 49 16.111 8.607 -2.428 1.00 3.53 C ATOM 702 C CYS A 49 17.201 9.548 -1.920 1.00 33.43 C ATOM 703 O CYS A 49 18.307 9.115 -1.594 1.00 55.01 O ATOM 704 CB CYS A 49 15.013 8.465 -1.372 1.00 73.35 C ATOM 705 SG CYS A 49 13.338 8.831 -1.989 1.00 31.15 S ATOM 0 H CYS A 49 17.049 6.791 -1.964 1.00 61.13 H new ATOM 0 HA CYS A 49 15.681 9.032 -3.335 1.00 3.53 H new ATOM 0 HB2 CYS A 49 15.030 7.448 -0.980 1.00 73.35 H new ATOM 0 HB3 CYS A 49 15.236 9.132 -0.539 1.00 73.35 H new ATOM 710 N TYR A 50 16.880 10.835 -1.855 1.00 30.05 N ATOM 711 CA TYR A 50 17.831 11.837 -1.388 1.00 61.05 C ATOM 712 C TYR A 50 17.106 13.055 -0.823 1.00 24.41 C ATOM 713 O TYR A 50 15.883 13.159 -0.912 1.00 10.42 O ATOM 714 CB TYR A 50 18.755 12.264 -2.531 1.00 14.24 C ATOM 715 CG TYR A 50 19.610 11.140 -3.070 1.00 5.42 C ATOM 716 CD1 TYR A 50 19.184 10.372 -4.146 1.00 64.40 C ATOM 717 CD2 TYR A 50 20.844 10.847 -2.503 1.00 24.22 C ATOM 718 CE1 TYR A 50 19.963 9.343 -4.642 1.00 14.42 C ATOM 719 CE2 TYR A 50 21.630 9.822 -2.993 1.00 32.51 C ATOM 720 CZ TYR A 50 21.185 9.073 -4.062 1.00 74.42 C ATOM 721 OH TYR A 50 21.963 8.050 -4.552 1.00 65.54 O ATOM 0 H TYR A 50 15.969 11.209 -2.120 1.00 30.05 H new ATOM 0 HA TYR A 50 18.429 11.392 -0.593 1.00 61.05 H new ATOM 0 HB2 TYR A 50 18.151 12.671 -3.342 1.00 14.24 H new ATOM 0 HB3 TYR A 50 19.404 13.067 -2.182 1.00 14.24 H new ATOM 0 HD1 TYR A 50 18.228 10.582 -4.603 1.00 64.40 H new ATOM 0 HD2 TYR A 50 21.195 11.431 -1.665 1.00 24.22 H new ATOM 0 HE1 TYR A 50 19.617 8.754 -5.479 1.00 14.42 H new ATOM 0 HE2 TYR A 50 22.588 9.608 -2.541 1.00 32.51 H new ATOM 0 HH TYR A 50 22.792 7.992 -4.033 1.00 65.54 H new ATOM 731 N ARG A 51 17.871 13.973 -0.242 1.00 22.14 N ATOM 732 CA ARG A 51 17.304 15.184 0.339 1.00 35.44 C ATOM 733 C ARG A 51 16.158 14.845 1.289 1.00 4.44 C ATOM 734 O ARG A 51 15.230 15.635 1.465 1.00 34.42 O ATOM 735 CB ARG A 51 16.806 16.119 -0.764 1.00 12.32 C ATOM 736 CG ARG A 51 17.885 16.517 -1.758 1.00 13.23 C ATOM 737 CD ARG A 51 17.776 17.985 -2.139 1.00 44.25 C ATOM 738 NE ARG A 51 19.086 18.626 -2.227 1.00 52.01 N ATOM 739 CZ ARG A 51 19.270 19.863 -2.675 1.00 21.10 C ATOM 740 NH1 ARG A 51 18.234 20.589 -3.073 1.00 64.53 N ATOM 741 NH2 ARG A 51 20.493 20.377 -2.725 1.00 34.45 N ATOM 0 H ARG A 51 18.885 13.901 -0.161 1.00 22.14 H new ATOM 0 HA ARG A 51 18.087 15.687 0.906 1.00 35.44 H new ATOM 0 HB2 ARG A 51 15.991 15.633 -1.300 1.00 12.32 H new ATOM 0 HB3 ARG A 51 16.395 17.019 -0.307 1.00 12.32 H new ATOM 0 HG2 ARG A 51 18.867 16.324 -1.327 1.00 13.23 H new ATOM 0 HG3 ARG A 51 17.802 15.900 -2.653 1.00 13.23 H new ATOM 0 HD2 ARG A 51 17.264 18.074 -3.097 1.00 44.25 H new ATOM 0 HD3 ARG A 51 17.166 18.507 -1.402 1.00 44.25 H new ATOM 0 HE ARG A 51 19.904 18.095 -1.928 1.00 52.01 H new ATOM 0 HH11 ARG A 51 17.293 20.198 -3.036 1.00 64.53 H new ATOM 0 HH12 ARG A 51 18.378 21.539 -3.416 1.00 64.53 H new ATOM 0 HH21 ARG A 51 21.292 19.822 -2.419 1.00 34.45 H new ATOM 0 HH22 ARG A 51 20.633 21.327 -3.069 1.00 34.45 H new ATOM 755 N CYS A 52 16.231 13.667 1.899 1.00 11.13 N ATOM 756 CA CYS A 52 15.201 13.223 2.831 1.00 70.24 C ATOM 757 C CYS A 52 15.293 13.987 4.148 1.00 31.13 C ATOM 758 O CYS A 52 16.214 14.776 4.357 1.00 13.20 O ATOM 759 CB CYS A 52 15.332 11.721 3.089 1.00 35.43 C ATOM 760 SG CYS A 52 13.738 10.855 3.267 1.00 42.51 S ATOM 0 H CYS A 52 16.993 13.002 1.765 1.00 11.13 H new ATOM 0 HA CYS A 52 14.228 13.425 2.382 1.00 70.24 H new ATOM 0 HB2 CYS A 52 15.889 11.269 2.268 1.00 35.43 H new ATOM 0 HB3 CYS A 52 15.919 11.569 3.995 1.00 35.43 H new ATOM 765 N ALA A 53 14.332 13.746 5.034 1.00 72.11 N ATOM 766 CA ALA A 53 14.305 14.409 6.332 1.00 62.22 C ATOM 767 C ALA A 53 14.665 13.438 7.452 1.00 41.25 C ATOM 768 O ALA A 53 15.202 13.838 8.483 1.00 2.24 O ATOM 769 CB ALA A 53 12.936 15.023 6.583 1.00 71.22 C ATOM 0 H ALA A 53 13.562 13.096 4.876 1.00 72.11 H new ATOM 0 HA ALA A 53 15.051 15.204 6.322 1.00 62.22 H new ATOM 0 HB1 ALA A 53 12.931 15.515 7.556 1.00 71.22 H new ATOM 0 HB2 ALA A 53 12.717 15.755 5.805 1.00 71.22 H new ATOM 0 HB3 ALA A 53 12.178 14.240 6.568 1.00 71.22 H new ATOM 775 N ASN A 54 14.365 12.161 7.240 1.00 32.24 N ATOM 776 CA ASN A 54 14.656 11.133 8.233 1.00 11.03 C ATOM 777 C ASN A 54 16.029 10.514 7.989 1.00 12.11 C ATOM 778 O ASN A 54 16.322 9.419 8.467 1.00 34.02 O ATOM 779 CB ASN A 54 13.581 10.045 8.202 1.00 74.01 C ATOM 780 CG ASN A 54 13.004 9.762 9.576 1.00 51.24 C ATOM 781 OD1 ASN A 54 12.217 10.548 10.104 1.00 31.43 O ATOM 782 ND2 ASN A 54 13.394 8.636 10.161 1.00 63.13 N ATOM 0 H ASN A 54 13.921 11.813 6.390 1.00 32.24 H new ATOM 0 HA ASN A 54 14.659 11.604 9.216 1.00 11.03 H new ATOM 0 HB2 ASN A 54 12.779 10.350 7.530 1.00 74.01 H new ATOM 0 HB3 ASN A 54 14.007 9.128 7.794 1.00 74.01 H new ATOM 0 HD21 ASN A 54 13.039 8.392 11.086 1.00 63.13 H new ATOM 0 HD22 ASN A 54 14.048 8.014 9.686 1.00 63.13 H new ATOM 789 N GLY A 55 16.868 11.224 7.241 1.00 11.52 N ATOM 790 CA GLY A 55 18.200 10.730 6.947 1.00 71.33 C ATOM 791 C GLY A 55 18.973 11.657 6.030 1.00 24.22 C ATOM 792 O GLY A 55 20.199 11.729 6.100 1.00 5.42 O ATOM 0 H GLY A 55 16.649 12.133 6.833 1.00 11.52 H new ATOM 0 HA2 GLY A 55 18.751 10.603 7.879 1.00 71.33 H new ATOM 0 HA3 GLY A 55 18.125 9.746 6.485 1.00 71.33 H new ATOM 796 N GLY A 56 18.255 12.367 5.166 1.00 52.21 N ATOM 797 CA GLY A 56 18.898 13.283 4.243 1.00 45.25 C ATOM 798 C GLY A 56 19.882 12.585 3.324 1.00 13.11 C ATOM 799 O GLY A 56 21.074 12.888 3.334 1.00 51.42 O ATOM 0 H GLY A 56 17.239 12.324 5.089 1.00 52.21 H new ATOM 0 HA2 GLY A 56 18.137 13.783 3.643 1.00 45.25 H new ATOM 0 HA3 GLY A 56 19.419 14.057 4.807 1.00 45.25 H new ATOM 803 N GLY A 57 19.381 11.645 2.528 1.00 30.02 N ATOM 804 CA GLY A 57 20.238 10.915 1.612 1.00 13.10 C ATOM 805 C GLY A 57 19.589 9.645 1.099 1.00 22.54 C ATOM 806 O GLY A 57 18.386 9.614 0.843 1.00 74.15 O ATOM 0 H GLY A 57 18.397 11.376 2.501 1.00 30.02 H new ATOM 0 HA2 GLY A 57 20.492 11.556 0.768 1.00 13.10 H new ATOM 0 HA3 GLY A 57 21.172 10.665 2.115 1.00 13.10 H new ATOM 810 N ASP A 58 20.388 8.594 0.948 1.00 20.14 N ATOM 811 CA ASP A 58 19.885 7.314 0.462 1.00 11.52 C ATOM 812 C ASP A 58 18.906 6.701 1.459 1.00 44.11 C ATOM 813 O ASP A 58 19.308 6.201 2.510 1.00 11.11 O ATOM 814 CB ASP A 58 21.044 6.350 0.207 1.00 22.13 C ATOM 815 CG ASP A 58 22.001 6.272 1.381 1.00 72.42 C ATOM 816 OD1 ASP A 58 21.873 5.327 2.189 1.00 45.45 O ATOM 817 OD2 ASP A 58 22.877 7.154 1.491 1.00 64.20 O ATOM 0 H ASP A 58 21.387 8.603 1.155 1.00 20.14 H new ATOM 0 HA ASP A 58 19.358 7.491 -0.475 1.00 11.52 H new ATOM 0 HB2 ASP A 58 20.647 5.356 -0.001 1.00 22.13 H new ATOM 0 HB3 ASP A 58 21.589 6.668 -0.682 1.00 22.13 H new ATOM 822 N ILE A 59 17.622 6.744 1.122 1.00 52.11 N ATOM 823 CA ILE A 59 16.587 6.193 1.987 1.00 33.44 C ATOM 824 C ILE A 59 15.512 5.479 1.174 1.00 65.03 C ATOM 825 O ILE A 59 14.649 6.103 0.557 1.00 72.02 O ATOM 826 CB ILE A 59 15.924 7.289 2.842 1.00 52.44 C ATOM 827 CG1 ILE A 59 16.983 8.246 3.393 1.00 14.24 C ATOM 828 CG2 ILE A 59 15.123 6.666 3.975 1.00 11.31 C ATOM 829 CD1 ILE A 59 17.800 7.657 4.522 1.00 14.51 C ATOM 0 H ILE A 59 17.273 7.155 0.256 1.00 52.11 H new ATOM 0 HA ILE A 59 17.077 5.476 2.646 1.00 33.44 H new ATOM 0 HB ILE A 59 15.240 7.858 2.211 1.00 52.44 H new ATOM 0 HG12 ILE A 59 17.653 8.538 2.584 1.00 14.24 H new ATOM 0 HG13 ILE A 59 16.493 9.154 3.745 1.00 14.24 H new ATOM 0 HG21 ILE A 59 14.661 7.454 4.570 1.00 11.31 H new ATOM 0 HG22 ILE A 59 14.348 6.022 3.561 1.00 11.31 H new ATOM 0 HG23 ILE A 59 15.786 6.075 4.607 1.00 11.31 H new ATOM 0 HD11 ILE A 59 18.531 8.390 4.863 1.00 14.51 H new ATOM 0 HD12 ILE A 59 17.140 7.390 5.348 1.00 14.51 H new ATOM 0 HD13 ILE A 59 18.318 6.765 4.169 1.00 14.51 H new ATOM 841 N PRO A 60 15.564 4.139 1.172 1.00 21.32 N ATOM 842 CA PRO A 60 14.601 3.310 0.440 1.00 3.24 C ATOM 843 C PRO A 60 13.209 3.354 1.061 1.00 23.54 C ATOM 844 O PRO A 60 13.062 3.558 2.267 1.00 3.02 O ATOM 845 CB PRO A 60 15.191 1.902 0.548 1.00 23.22 C ATOM 846 CG PRO A 60 16.019 1.932 1.786 1.00 21.44 C ATOM 847 CD PRO A 60 16.566 3.329 1.885 1.00 21.24 C ATOM 0 HA PRO A 60 14.465 3.652 -0.586 1.00 3.24 H new ATOM 0 HB2 PRO A 60 14.407 1.148 0.615 1.00 23.22 H new ATOM 0 HB3 PRO A 60 15.795 1.658 -0.326 1.00 23.22 H new ATOM 0 HG2 PRO A 60 15.420 1.685 2.662 1.00 21.44 H new ATOM 0 HG3 PRO A 60 16.825 1.200 1.734 1.00 21.44 H new ATOM 0 HD2 PRO A 60 16.674 3.646 2.922 1.00 21.24 H new ATOM 0 HD3 PRO A 60 17.550 3.409 1.423 1.00 21.24 H new ATOM 855 N LEU A 61 12.190 3.160 0.232 1.00 62.33 N ATOM 856 CA LEU A 61 10.809 3.176 0.700 1.00 53.02 C ATOM 857 C LEU A 61 10.630 2.252 1.900 1.00 15.44 C ATOM 858 O LEU A 61 9.709 2.426 2.698 1.00 70.41 O ATOM 859 CB LEU A 61 9.863 2.756 -0.427 1.00 12.23 C ATOM 860 CG LEU A 61 9.384 3.875 -1.353 1.00 34.34 C ATOM 861 CD1 LEU A 61 8.480 4.840 -0.601 1.00 21.22 C ATOM 862 CD2 LEU A 61 10.570 4.612 -1.956 1.00 51.33 C ATOM 0 H LEU A 61 12.294 2.990 -0.768 1.00 62.33 H new ATOM 0 HA LEU A 61 10.568 4.193 1.009 1.00 53.02 H new ATOM 0 HB2 LEU A 61 10.364 2.000 -1.032 1.00 12.23 H new ATOM 0 HB3 LEU A 61 8.989 2.280 0.018 1.00 12.23 H new ATOM 0 HG LEU A 61 8.809 3.428 -2.164 1.00 34.34 H new ATOM 0 HD11 LEU A 61 8.149 5.629 -1.276 1.00 21.22 H new ATOM 0 HD12 LEU A 61 7.612 4.302 -0.218 1.00 21.22 H new ATOM 0 HD13 LEU A 61 9.030 5.281 0.231 1.00 21.22 H new ATOM 0 HD21 LEU A 61 10.210 5.405 -2.612 1.00 51.33 H new ATOM 0 HD22 LEU A 61 11.172 5.047 -1.158 1.00 51.33 H new ATOM 0 HD23 LEU A 61 11.178 3.914 -2.531 1.00 51.33 H new ATOM 874 N GLY A 62 11.518 1.271 2.024 1.00 62.15 N ATOM 875 CA GLY A 62 11.442 0.336 3.131 1.00 70.23 C ATOM 876 C GLY A 62 11.971 0.924 4.424 1.00 72.02 C ATOM 877 O GLY A 62 11.470 0.615 5.504 1.00 14.35 O ATOM 0 H GLY A 62 12.289 1.107 1.377 1.00 62.15 H new ATOM 0 HA2 GLY A 62 10.406 0.029 3.272 1.00 70.23 H new ATOM 0 HA3 GLY A 62 12.010 -0.561 2.884 1.00 70.23 H new ATOM 881 N ALA A 63 12.988 1.773 4.314 1.00 75.42 N ATOM 882 CA ALA A 63 13.584 2.405 5.483 1.00 4.44 C ATOM 883 C ALA A 63 12.736 3.577 5.967 1.00 70.41 C ATOM 884 O ALA A 63 12.796 3.959 7.136 1.00 33.24 O ATOM 885 CB ALA A 63 14.998 2.870 5.168 1.00 5.21 C ATOM 0 H ALA A 63 13.416 2.038 3.427 1.00 75.42 H new ATOM 0 HA ALA A 63 13.625 1.666 6.283 1.00 4.44 H new ATOM 0 HB1 ALA A 63 15.431 3.340 6.051 1.00 5.21 H new ATOM 0 HB2 ALA A 63 15.606 2.014 4.878 1.00 5.21 H new ATOM 0 HB3 ALA A 63 14.971 3.590 4.350 1.00 5.21 H new ATOM 891 N LEU A 64 11.947 4.143 5.061 1.00 41.33 N ATOM 892 CA LEU A 64 11.086 5.273 5.395 1.00 61.42 C ATOM 893 C LEU A 64 9.713 4.793 5.853 1.00 15.20 C ATOM 894 O LEU A 64 8.796 5.594 6.040 1.00 34.40 O ATOM 895 CB LEU A 64 10.939 6.201 4.188 1.00 15.23 C ATOM 896 CG LEU A 64 11.833 7.441 4.182 1.00 1.33 C ATOM 897 CD1 LEU A 64 12.178 7.844 2.757 1.00 53.11 C ATOM 898 CD2 LEU A 64 11.156 8.591 4.914 1.00 30.24 C ATOM 0 H LEU A 64 11.885 3.839 4.089 1.00 41.33 H new ATOM 0 HA LEU A 64 11.550 5.823 6.214 1.00 61.42 H new ATOM 0 HB2 LEU A 64 11.144 5.625 3.285 1.00 15.23 H new ATOM 0 HB3 LEU A 64 9.900 6.526 4.129 1.00 15.23 H new ATOM 0 HG LEU A 64 12.759 7.199 4.704 1.00 1.33 H new ATOM 0 HD11 LEU A 64 12.815 8.728 2.773 1.00 53.11 H new ATOM 0 HD12 LEU A 64 12.705 7.026 2.265 1.00 53.11 H new ATOM 0 HD13 LEU A 64 11.262 8.066 2.210 1.00 53.11 H new ATOM 0 HD21 LEU A 64 11.807 9.465 4.900 1.00 30.24 H new ATOM 0 HD22 LEU A 64 10.214 8.832 4.421 1.00 30.24 H new ATOM 0 HD23 LEU A 64 10.961 8.301 5.946 1.00 30.24 H new ATOM 910 N ILE A 65 9.579 3.484 6.034 1.00 74.32 N ATOM 911 CA ILE A 65 8.318 2.899 6.474 1.00 61.35 C ATOM 912 C ILE A 65 7.951 3.373 7.876 1.00 64.14 C ATOM 913 O ILE A 65 8.726 3.215 8.819 1.00 23.03 O ATOM 914 CB ILE A 65 8.378 1.360 6.464 1.00 72.24 C ATOM 915 CG1 ILE A 65 8.545 0.843 5.033 1.00 51.40 C ATOM 916 CG2 ILE A 65 7.125 0.777 7.100 1.00 72.01 C ATOM 917 CD1 ILE A 65 8.592 -0.665 4.937 1.00 64.51 C ATOM 0 H ILE A 65 10.328 2.808 5.883 1.00 74.32 H new ATOM 0 HA ILE A 65 7.554 3.230 5.770 1.00 61.35 H new ATOM 0 HB ILE A 65 9.241 1.041 7.049 1.00 72.24 H new ATOM 0 HG12 ILE A 65 7.720 1.212 4.423 1.00 51.40 H new ATOM 0 HG13 ILE A 65 9.462 1.255 4.611 1.00 51.40 H new ATOM 0 HG21 ILE A 65 7.182 -0.311 7.085 1.00 72.01 H new ATOM 0 HG22 ILE A 65 7.046 1.122 8.131 1.00 72.01 H new ATOM 0 HG23 ILE A 65 6.248 1.102 6.540 1.00 72.01 H new ATOM 0 HD11 ILE A 65 8.712 -0.960 3.894 1.00 64.51 H new ATOM 0 HD12 ILE A 65 9.434 -1.041 5.519 1.00 64.51 H new ATOM 0 HD13 ILE A 65 7.665 -1.084 5.328 1.00 64.51 H new ATOM 929 N LYS A 66 6.764 3.954 8.006 1.00 75.11 N ATOM 930 CA LYS A 66 6.291 4.449 9.293 1.00 15.12 C ATOM 931 C LYS A 66 5.250 3.507 9.890 1.00 71.33 C ATOM 932 O LYS A 66 4.666 3.793 10.935 1.00 40.41 O ATOM 933 CB LYS A 66 5.695 5.850 9.136 1.00 10.13 C ATOM 934 CG LYS A 66 6.633 6.838 8.464 1.00 74.22 C ATOM 935 CD LYS A 66 5.868 7.976 7.810 1.00 13.41 C ATOM 936 CE LYS A 66 5.201 7.530 6.518 1.00 13.20 C ATOM 937 NZ LYS A 66 5.384 8.526 5.426 1.00 5.23 N ATOM 0 H LYS A 66 6.111 4.094 7.235 1.00 75.11 H new ATOM 0 HA LYS A 66 7.143 4.497 9.971 1.00 15.12 H new ATOM 0 HB2 LYS A 66 4.776 5.782 8.555 1.00 10.13 H new ATOM 0 HB3 LYS A 66 5.422 6.232 10.120 1.00 10.13 H new ATOM 0 HG2 LYS A 66 7.327 7.241 9.201 1.00 74.22 H new ATOM 0 HG3 LYS A 66 7.230 6.321 7.713 1.00 74.22 H new ATOM 0 HD2 LYS A 66 5.112 8.351 8.500 1.00 13.41 H new ATOM 0 HD3 LYS A 66 6.549 8.802 7.603 1.00 13.41 H new ATOM 0 HE2 LYS A 66 5.616 6.571 6.208 1.00 13.20 H new ATOM 0 HE3 LYS A 66 4.136 7.375 6.694 1.00 13.20 H new ATOM 0 HZ1 LYS A 66 4.754 8.291 4.633 1.00 5.23 H new ATOM 0 HZ2 LYS A 66 5.154 9.476 5.781 1.00 5.23 H new ATOM 0 HZ3 LYS A 66 6.372 8.507 5.101 1.00 5.23 H new ATOM 951 N ARG A 67 5.024 2.381 9.220 1.00 41.55 N ATOM 952 CA ARG A 67 4.054 1.397 9.684 1.00 1.21 C ATOM 953 C ARG A 67 2.639 1.966 9.640 1.00 72.32 C ATOM 954 O ARG A 67 1.724 1.432 10.266 1.00 24.40 O ATOM 955 CB ARG A 67 4.391 0.950 11.108 1.00 43.13 C ATOM 956 CG ARG A 67 4.932 -0.468 11.189 1.00 62.03 C ATOM 957 CD ARG A 67 6.103 -0.673 10.241 1.00 43.45 C ATOM 958 NE ARG A 67 7.255 -1.268 10.913 1.00 12.43 N ATOM 959 CZ ARG A 67 8.233 -1.901 10.275 1.00 54.20 C ATOM 960 NH1 ARG A 67 8.199 -2.020 8.955 1.00 74.21 N ATOM 961 NH2 ARG A 67 9.248 -2.416 10.957 1.00 14.32 N ATOM 0 H ARG A 67 5.500 2.128 8.354 1.00 41.55 H new ATOM 0 HA ARG A 67 4.102 0.535 9.019 1.00 1.21 H new ATOM 0 HB2 ARG A 67 5.126 1.635 11.530 1.00 43.13 H new ATOM 0 HB3 ARG A 67 3.495 1.024 11.725 1.00 43.13 H new ATOM 0 HG2 ARG A 67 5.248 -0.680 12.210 1.00 62.03 H new ATOM 0 HG3 ARG A 67 4.139 -1.175 10.947 1.00 62.03 H new ATOM 0 HD2 ARG A 67 5.793 -1.315 9.416 1.00 43.45 H new ATOM 0 HD3 ARG A 67 6.391 0.285 9.808 1.00 43.45 H new ATOM 0 HE ARG A 67 7.312 -1.193 11.929 1.00 12.43 H new ATOM 0 HH11 ARG A 67 7.421 -1.625 8.427 1.00 74.21 H new ATOM 0 HH12 ARG A 67 8.951 -2.507 8.467 1.00 74.21 H new ATOM 0 HH21 ARG A 67 9.278 -2.326 11.973 1.00 14.32 H new ATOM 0 HH22 ARG A 67 9.998 -2.902 10.466 1.00 14.32 H new ATOM 975 N GLY A 68 2.466 3.054 8.895 1.00 64.40 N ATOM 976 CA GLY A 68 1.161 3.677 8.783 1.00 34.13 C ATOM 977 C GLY A 68 0.803 4.021 7.351 1.00 72.40 C ATOM 978 O GLY A 68 1.170 5.084 6.851 1.00 75.23 O ATOM 0 H GLY A 68 3.207 3.515 8.367 1.00 64.40 H new ATOM 0 HA2 GLY A 68 0.405 3.006 9.192 1.00 34.13 H new ATOM 0 HA3 GLY A 68 1.142 4.584 9.387 1.00 34.13 H new TER 982 GLY A 68