USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 421 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 LYS NZ :NH3+ -111:sc= 0.139 (180deg=-0.26) USER MOD Set 1.2: A 48 SER OG : rot 180:sc= -0.0139 USER MOD Set 1.3: A 51 SER OG : rot 46:sc= 0.233 USER MOD Set 2.1: A 33 LYS NZ :NH3+ -148:sc= 0.681 (180deg=-0.285) USER MOD Set 2.2: A 35 ASN : amide:sc= -4.9! K(o=-4.2!,f=-7.9) USER MOD Set 3.1: A 23 THR OG1 : rot 32:sc= 1.45 USER MOD Set 3.2: A 25 ASN :FLIP amide:sc= 0.34 F(o=1.6,f=2.3) USER MOD Set 3.3: A 26 LYS NZ :NH3+ 160:sc= 0.547 (180deg=-0.366) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.23 F(o=-1.2,f=-0.23) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.647 USER MOD Single : A 11 GLN : amide:sc= -2.89 K(o=-2.9,f=-5.3!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -170:sc= 0.892 USER MOD Single : A 16 SER OG : rot 180:sc= 0.128 USER MOD Single : A 19 LYS NZ :NH3+ 142:sc= -4.42 (180deg=-6.24!) USER MOD Single : A 20 THR OG1 : rot 160:sc= -0.0573 USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= 0.712 (180deg=0.162) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 42 SER OG : rot 42:sc= 0.917 USER MOD Single : A 44 THR OG1 : rot -33:sc= -0.121 USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= -0.0297 (180deg=-0.244) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -0.657 X(o=-0.66,f=-1.1) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0058 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 3 36.909 19.260 -7.513 1.00 0.00 N ATOM 38 CA VAL A 3 36.959 19.651 -6.068 1.00 0.00 C ATOM 39 C VAL A 3 37.820 18.695 -5.241 1.00 0.00 C ATOM 40 O VAL A 3 37.959 17.527 -5.550 1.00 0.00 O ATOM 41 CB VAL A 3 35.509 19.684 -5.504 1.00 0.00 C ATOM 42 CG1 VAL A 3 34.689 20.738 -6.277 1.00 0.00 C ATOM 43 CG2 VAL A 3 34.826 18.300 -5.640 1.00 0.00 C ATOM 0 HA VAL A 3 37.418 20.637 -5.998 1.00 0.00 H new ATOM 0 HB VAL A 3 35.554 19.941 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 3 33.672 20.766 -5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 3 35.151 21.718 -6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 3 34.664 20.476 -7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 3 33.814 18.352 -5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 3 34.784 18.017 -6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 3 35.398 17.556 -5.086 1.00 0.00 H new ATOM 53 N CYS A 4 38.368 19.266 -4.203 1.00 0.00 N ATOM 54 CA CYS A 4 39.249 18.534 -3.247 1.00 0.00 C ATOM 55 C CYS A 4 38.493 18.113 -1.971 1.00 0.00 C ATOM 56 O CYS A 4 37.319 18.399 -1.825 1.00 0.00 O ATOM 57 CB CYS A 4 40.392 19.435 -2.850 1.00 0.00 C ATOM 58 SG CYS A 4 41.690 19.920 -4.009 1.00 0.00 S ATOM 0 H CYS A 4 38.235 20.250 -3.970 1.00 0.00 H new ATOM 0 HA CYS A 4 39.607 17.633 -3.745 1.00 0.00 H new ATOM 0 HB2 CYS A 4 39.947 20.357 -2.475 1.00 0.00 H new ATOM 0 HB3 CYS A 4 40.889 18.956 -2.007 1.00 0.00 H new ATOM 63 N PRO A 5 39.195 17.441 -1.085 1.00 0.00 N ATOM 64 CA PRO A 5 38.887 17.425 0.350 1.00 0.00 C ATOM 65 C PRO A 5 39.630 18.544 1.109 1.00 0.00 C ATOM 66 O PRO A 5 40.388 19.289 0.511 1.00 0.00 O ATOM 67 CB PRO A 5 39.421 16.039 0.806 1.00 0.00 C ATOM 68 CG PRO A 5 40.079 15.432 -0.400 1.00 0.00 C ATOM 69 CD PRO A 5 40.373 16.590 -1.307 1.00 0.00 C ATOM 0 HA PRO A 5 37.827 17.585 0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 5 40.131 16.145 1.626 1.00 0.00 H new ATOM 0 HB3 PRO A 5 38.609 15.407 1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 5 40.992 14.903 -0.127 1.00 0.00 H new ATOM 0 HG3 PRO A 5 39.424 14.708 -0.884 1.00 0.00 H new ATOM 0 HD2 PRO A 5 41.301 17.096 -1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 5 40.467 16.282 -2.348 1.00 0.00 H new ATOM 77 N PRO A 6 39.401 18.625 2.399 1.00 0.00 N ATOM 78 CA PRO A 6 40.148 19.534 3.288 1.00 0.00 C ATOM 79 C PRO A 6 41.665 19.404 3.096 1.00 0.00 C ATOM 80 O PRO A 6 42.151 18.323 2.818 1.00 0.00 O ATOM 81 CB PRO A 6 39.740 19.063 4.702 1.00 0.00 C ATOM 82 CG PRO A 6 39.088 17.736 4.487 1.00 0.00 C ATOM 83 CD PRO A 6 38.403 17.866 3.179 1.00 0.00 C ATOM 0 HA PRO A 6 39.921 20.582 3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 6 40.608 18.976 5.356 1.00 0.00 H new ATOM 0 HB3 PRO A 6 39.055 19.769 5.172 1.00 0.00 H new ATOM 0 HG2 PRO A 6 39.823 16.931 4.472 1.00 0.00 H new ATOM 0 HG3 PRO A 6 38.381 17.507 5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 6 38.184 16.896 2.732 1.00 0.00 H new ATOM 0 HD3 PRO A 6 37.456 18.399 3.263 1.00 0.00 H new ATOM 91 N GLY A 7 42.344 20.510 3.249 1.00 0.00 N ATOM 92 CA GLY A 7 43.828 20.520 3.094 1.00 0.00 C ATOM 93 C GLY A 7 44.307 20.397 1.641 1.00 0.00 C ATOM 94 O GLY A 7 45.500 20.341 1.424 1.00 0.00 O ATOM 0 H GLY A 7 41.930 21.414 3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 7 44.221 21.444 3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 7 44.249 19.699 3.675 1.00 0.00 H new ATOM 98 N GLN A 8 43.411 20.355 0.681 1.00 0.00 N ATOM 99 CA GLN A 8 43.843 20.237 -0.743 1.00 0.00 C ATOM 100 C GLN A 8 42.974 21.221 -1.514 1.00 0.00 C ATOM 101 O GLN A 8 41.843 21.464 -1.137 1.00 0.00 O ATOM 102 CB GLN A 8 43.607 18.801 -1.227 1.00 0.00 C ATOM 103 CG GLN A 8 44.445 17.800 -0.407 1.00 0.00 C ATOM 104 CD GLN A 8 44.174 16.362 -0.879 1.00 0.00 C ATOM 105 OE1 GLN A 8 44.343 15.385 -0.031 1.00 0.00 O flip ATOM 106 NE2 GLN A 8 43.810 16.109 -2.011 1.00 0.00 N flip ATOM 0 H GLN A 8 42.402 20.397 0.825 1.00 0.00 H new ATOM 0 HA GLN A 8 44.902 20.457 -0.881 1.00 0.00 H new ATOM 0 HB2 GLN A 8 42.549 18.553 -1.140 1.00 0.00 H new ATOM 0 HB3 GLN A 8 43.868 18.721 -2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 8 45.505 18.031 -0.513 1.00 0.00 H new ATOM 0 HG3 GLN A 8 44.202 17.894 0.652 1.00 0.00 H new ATOM 0 HE21 GLN A 8 43.674 16.864 -2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 8 43.640 15.142 -2.288 1.00 0.00 H new ATOM 115 N THR A 9 43.523 21.761 -2.570 1.00 0.00 N ATOM 116 CA THR A 9 42.759 22.744 -3.392 1.00 0.00 C ATOM 117 C THR A 9 43.025 22.536 -4.897 1.00 0.00 C ATOM 118 O THR A 9 43.862 21.741 -5.277 1.00 0.00 O ATOM 119 CB THR A 9 43.202 24.136 -2.888 1.00 0.00 C ATOM 120 OG1 THR A 9 42.954 24.114 -1.487 1.00 0.00 O ATOM 121 CG2 THR A 9 42.251 25.226 -3.331 1.00 0.00 C ATOM 0 H THR A 9 44.468 21.563 -2.899 1.00 0.00 H new ATOM 0 HA THR A 9 41.681 22.625 -3.283 1.00 0.00 H new ATOM 0 HB THR A 9 44.221 24.319 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 9 43.215 24.973 -1.095 1.00 0.00 H new ATOM 0 HG21 THR A 9 42.600 26.188 -2.955 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.212 25.254 -4.420 1.00 0.00 H new ATOM 0 HG23 THR A 9 41.255 25.022 -2.937 1.00 0.00 H new ATOM 129 N PHE A 10 42.292 23.253 -5.711 1.00 0.00 N ATOM 130 CA PHE A 10 42.446 23.153 -7.197 1.00 0.00 C ATOM 131 C PHE A 10 43.632 24.003 -7.675 1.00 0.00 C ATOM 132 O PHE A 10 43.698 25.183 -7.386 1.00 0.00 O ATOM 133 CB PHE A 10 41.147 23.641 -7.863 1.00 0.00 C ATOM 134 CG PHE A 10 41.284 23.574 -9.396 1.00 0.00 C ATOM 135 CD1 PHE A 10 41.815 24.639 -10.103 1.00 0.00 C ATOM 136 CD2 PHE A 10 40.877 22.449 -10.086 1.00 0.00 C ATOM 137 CE1 PHE A 10 41.936 24.579 -11.476 1.00 0.00 C ATOM 138 CE2 PHE A 10 40.997 22.390 -11.458 1.00 0.00 C ATOM 139 CZ PHE A 10 41.527 23.452 -12.154 1.00 0.00 C ATOM 0 H PHE A 10 41.580 23.916 -5.404 1.00 0.00 H new ATOM 0 HA PHE A 10 42.639 22.116 -7.472 1.00 0.00 H new ATOM 0 HB2 PHE A 10 40.308 23.026 -7.537 1.00 0.00 H new ATOM 0 HB3 PHE A 10 40.932 24.664 -7.553 1.00 0.00 H new ATOM 0 HD1 PHE A 10 42.137 25.524 -9.575 1.00 0.00 H new ATOM 0 HD2 PHE A 10 40.462 21.610 -9.547 1.00 0.00 H new ATOM 0 HE1 PHE A 10 42.351 25.415 -12.019 1.00 0.00 H new ATOM 0 HE2 PHE A 10 40.674 21.507 -11.989 1.00 0.00 H new ATOM 0 HZ PHE A 10 41.622 23.402 -13.229 1.00 0.00 H new ATOM 149 N GLN A 11 44.520 23.375 -8.402 1.00 0.00 N ATOM 150 CA GLN A 11 45.732 24.047 -8.949 1.00 0.00 C ATOM 151 C GLN A 11 45.825 23.668 -10.411 1.00 0.00 C ATOM 152 O GLN A 11 45.292 22.663 -10.842 1.00 0.00 O ATOM 153 CB GLN A 11 47.026 23.579 -8.197 1.00 0.00 C ATOM 154 CG GLN A 11 47.259 24.263 -6.806 1.00 0.00 C ATOM 155 CD GLN A 11 46.193 24.013 -5.727 1.00 0.00 C ATOM 156 OE1 GLN A 11 45.346 24.842 -5.461 1.00 0.00 O ATOM 157 NE2 GLN A 11 46.195 22.891 -5.069 1.00 0.00 N ATOM 0 H GLN A 11 44.449 22.387 -8.646 1.00 0.00 H new ATOM 0 HA GLN A 11 45.653 25.126 -8.820 1.00 0.00 H new ATOM 0 HB2 GLN A 11 46.975 22.500 -8.052 1.00 0.00 H new ATOM 0 HB3 GLN A 11 47.890 23.775 -8.832 1.00 0.00 H new ATOM 0 HG2 GLN A 11 48.221 23.927 -6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 11 47.337 25.339 -6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 11 46.897 22.180 -5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 11 45.495 22.722 -4.347 1.00 0.00 H new ATOM 166 N THR A 12 46.517 24.512 -11.122 1.00 0.00 N ATOM 167 CA THR A 12 46.707 24.305 -12.579 1.00 0.00 C ATOM 168 C THR A 12 47.796 23.260 -12.841 1.00 0.00 C ATOM 169 O THR A 12 47.769 22.607 -13.866 1.00 0.00 O ATOM 170 CB THR A 12 47.078 25.665 -13.187 1.00 0.00 C ATOM 171 OG1 THR A 12 45.995 26.516 -12.833 1.00 0.00 O ATOM 172 CG2 THR A 12 47.006 25.632 -14.708 1.00 0.00 C ATOM 0 H THR A 12 46.965 25.348 -10.747 1.00 0.00 H new ATOM 0 HA THR A 12 45.794 23.925 -13.038 1.00 0.00 H new ATOM 0 HB THR A 12 48.073 25.958 -12.852 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.157 27.416 -13.186 1.00 0.00 H new ATOM 0 HG21 THR A 12 47.274 26.610 -15.106 1.00 0.00 H new ATOM 0 HG22 THR A 12 47.700 24.882 -15.089 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.992 25.379 -15.019 1.00 0.00 H new ATOM 180 N CYS A 13 48.718 23.127 -11.915 1.00 0.00 N ATOM 181 CA CYS A 13 49.806 22.130 -12.100 1.00 0.00 C ATOM 182 C CYS A 13 49.791 21.129 -10.963 1.00 0.00 C ATOM 183 O CYS A 13 50.037 21.441 -9.813 1.00 0.00 O ATOM 184 CB CYS A 13 51.178 22.790 -12.123 1.00 0.00 C ATOM 185 SG CYS A 13 52.509 21.611 -12.468 1.00 0.00 S ATOM 0 H CYS A 13 48.759 23.664 -11.049 1.00 0.00 H new ATOM 0 HA CYS A 13 49.629 21.637 -13.056 1.00 0.00 H new ATOM 0 HB2 CYS A 13 51.187 23.575 -12.879 1.00 0.00 H new ATOM 0 HB3 CYS A 13 51.363 23.271 -11.162 1.00 0.00 H new ATOM 190 N ALA A 14 49.484 19.934 -11.374 1.00 0.00 N ATOM 191 CA ALA A 14 49.403 18.779 -10.449 1.00 0.00 C ATOM 192 C ALA A 14 49.870 17.500 -11.168 1.00 0.00 C ATOM 193 O ALA A 14 50.464 17.580 -12.224 1.00 0.00 O ATOM 194 CB ALA A 14 47.950 18.738 -9.997 1.00 0.00 C ATOM 0 H ALA A 14 49.279 19.705 -12.347 1.00 0.00 H new ATOM 0 HA ALA A 14 50.056 18.865 -9.580 1.00 0.00 H new ATOM 0 HB1 ALA A 14 47.807 17.907 -9.307 1.00 0.00 H new ATOM 0 HB2 ALA A 14 47.698 19.673 -9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 14 47.303 18.605 -10.864 1.00 0.00 H new ATOM 200 N SER A 15 49.605 16.354 -10.594 1.00 0.00 N ATOM 201 CA SER A 15 50.033 15.064 -11.233 1.00 0.00 C ATOM 202 C SER A 15 49.467 13.884 -10.422 1.00 0.00 C ATOM 203 O SER A 15 48.752 14.077 -9.458 1.00 0.00 O ATOM 204 CB SER A 15 51.578 15.000 -11.244 1.00 0.00 C ATOM 205 OG SER A 15 51.914 13.828 -11.973 1.00 0.00 O ATOM 0 H SER A 15 49.110 16.252 -9.708 1.00 0.00 H new ATOM 0 HA SER A 15 49.658 15.009 -12.255 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.002 15.887 -11.714 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.974 14.956 -10.230 1.00 0.00 H new ATOM 0 HG SER A 15 52.873 13.650 -11.882 1.00 0.00 H new ATOM 211 N SER A 16 49.806 12.694 -10.847 1.00 0.00 N ATOM 212 CA SER A 16 49.339 11.455 -10.153 1.00 0.00 C ATOM 213 C SER A 16 50.440 10.988 -9.168 1.00 0.00 C ATOM 214 O SER A 16 50.345 9.924 -8.586 1.00 0.00 O ATOM 215 CB SER A 16 49.068 10.375 -11.213 1.00 0.00 C ATOM 216 OG SER A 16 48.063 10.946 -12.038 1.00 0.00 O ATOM 0 H SER A 16 50.398 12.525 -11.661 1.00 0.00 H new ATOM 0 HA SER A 16 48.423 11.644 -9.593 1.00 0.00 H new ATOM 0 HB2 SER A 16 49.967 10.141 -11.783 1.00 0.00 H new ATOM 0 HB3 SER A 16 48.729 9.445 -10.757 1.00 0.00 H new ATOM 0 HG SER A 16 47.829 10.316 -12.751 1.00 0.00 H new ATOM 222 N CYS A 17 51.451 11.816 -9.024 1.00 0.00 N ATOM 223 CA CYS A 17 52.619 11.553 -8.122 1.00 0.00 C ATOM 224 C CYS A 17 52.739 12.567 -6.955 1.00 0.00 C ATOM 225 O CYS A 17 53.587 13.438 -6.973 1.00 0.00 O ATOM 226 CB CYS A 17 53.875 11.539 -9.052 1.00 0.00 C ATOM 227 SG CYS A 17 54.063 12.791 -10.354 1.00 0.00 S ATOM 0 H CYS A 17 51.514 12.705 -9.520 1.00 0.00 H new ATOM 0 HA CYS A 17 52.501 10.600 -7.606 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.753 11.606 -8.410 1.00 0.00 H new ATOM 0 HB3 CYS A 17 53.908 10.563 -9.536 1.00 0.00 H new ATOM 232 N PRO A 18 51.881 12.415 -5.964 1.00 0.00 N ATOM 233 CA PRO A 18 51.660 13.432 -4.908 1.00 0.00 C ATOM 234 C PRO A 18 52.896 13.829 -4.095 1.00 0.00 C ATOM 235 O PRO A 18 53.733 13.001 -3.793 1.00 0.00 O ATOM 236 CB PRO A 18 50.593 12.801 -3.993 1.00 0.00 C ATOM 237 CG PRO A 18 50.661 11.349 -4.275 1.00 0.00 C ATOM 238 CD PRO A 18 51.011 11.240 -5.727 1.00 0.00 C ATOM 0 HA PRO A 18 51.364 14.373 -5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 18 50.799 13.010 -2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 18 49.602 13.200 -4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 18 51.412 10.863 -3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 18 49.709 10.863 -4.063 1.00 0.00 H new ATOM 0 HD2 PRO A 18 51.530 10.306 -5.946 1.00 0.00 H new ATOM 0 HD3 PRO A 18 50.122 11.266 -6.357 1.00 0.00 H new ATOM 246 N LYS A 19 52.937 15.103 -3.783 1.00 0.00 N ATOM 247 CA LYS A 19 54.056 15.688 -2.991 1.00 0.00 C ATOM 248 C LYS A 19 53.561 15.647 -1.554 1.00 0.00 C ATOM 249 O LYS A 19 52.814 16.502 -1.115 1.00 0.00 O ATOM 250 CB LYS A 19 54.319 17.148 -3.431 1.00 0.00 C ATOM 251 CG LYS A 19 55.474 17.753 -2.588 1.00 0.00 C ATOM 252 CD LYS A 19 55.713 19.242 -2.929 1.00 0.00 C ATOM 253 CE LYS A 19 54.458 20.102 -2.639 1.00 0.00 C ATOM 254 NZ LYS A 19 54.728 21.513 -3.008 1.00 0.00 N ATOM 0 H LYS A 19 52.220 15.776 -4.054 1.00 0.00 H new ATOM 0 HA LYS A 19 54.992 15.146 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 19 54.576 17.177 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 19 53.415 17.744 -3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 19 55.240 17.656 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 19 56.389 17.188 -2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 19 56.555 19.618 -2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 19 55.984 19.336 -3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 19 53.606 19.724 -3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 19 54.194 20.035 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 53.875 21.931 -3.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 54.991 22.050 -2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 55.508 21.549 -3.695 1.00 0.00 H new ATOM 268 N THR A 20 54.004 14.630 -0.871 1.00 0.00 N ATOM 269 CA THR A 20 53.605 14.448 0.548 1.00 0.00 C ATOM 270 C THR A 20 54.759 14.847 1.471 1.00 0.00 C ATOM 271 O THR A 20 55.798 15.284 1.011 1.00 0.00 O ATOM 272 CB THR A 20 53.230 12.974 0.758 1.00 0.00 C ATOM 273 OG1 THR A 20 54.439 12.250 0.577 1.00 0.00 O ATOM 274 CG2 THR A 20 52.356 12.428 -0.410 1.00 0.00 C ATOM 0 H THR A 20 54.629 13.913 -1.239 1.00 0.00 H new ATOM 0 HA THR A 20 52.750 15.081 0.785 1.00 0.00 H new ATOM 0 HB THR A 20 52.724 12.879 1.719 1.00 0.00 H new ATOM 0 HG1 THR A 20 54.359 11.369 0.999 1.00 0.00 H new ATOM 0 HG21 THR A 20 52.112 11.382 -0.224 1.00 0.00 H new ATOM 0 HG22 THR A 20 51.436 13.009 -0.478 1.00 0.00 H new ATOM 0 HG23 THR A 20 52.908 12.511 -1.347 1.00 0.00 H new ATOM 282 N CYS A 21 54.533 14.682 2.751 1.00 0.00 N ATOM 283 CA CYS A 21 55.579 15.029 3.761 1.00 0.00 C ATOM 284 C CYS A 21 56.862 14.236 3.487 1.00 0.00 C ATOM 285 O CYS A 21 57.944 14.646 3.863 1.00 0.00 O ATOM 286 CB CYS A 21 55.039 14.705 5.151 1.00 0.00 C ATOM 287 SG CYS A 21 53.604 15.647 5.720 1.00 0.00 S ATOM 0 H CYS A 21 53.663 14.320 3.141 1.00 0.00 H new ATOM 0 HA CYS A 21 55.818 16.091 3.699 1.00 0.00 H new ATOM 0 HB2 CYS A 21 54.779 13.647 5.174 1.00 0.00 H new ATOM 0 HB3 CYS A 21 55.846 14.851 5.869 1.00 0.00 H new ATOM 292 N GLU A 22 56.681 13.114 2.836 1.00 0.00 N ATOM 293 CA GLU A 22 57.825 12.224 2.481 1.00 0.00 C ATOM 294 C GLU A 22 58.819 13.001 1.590 1.00 0.00 C ATOM 295 O GLU A 22 60.008 12.979 1.846 1.00 0.00 O ATOM 296 CB GLU A 22 57.252 11.001 1.749 1.00 0.00 C ATOM 297 CG GLU A 22 58.369 10.004 1.379 1.00 0.00 C ATOM 298 CD GLU A 22 57.734 8.788 0.682 1.00 0.00 C ATOM 299 OE1 GLU A 22 57.411 8.937 -0.487 1.00 0.00 O ATOM 300 OE2 GLU A 22 57.605 7.777 1.355 1.00 0.00 O ATOM 0 H GLU A 22 55.770 12.772 2.531 1.00 0.00 H new ATOM 0 HA GLU A 22 58.365 11.894 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 22 56.514 10.507 2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 22 56.734 11.323 0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 22 59.097 10.479 0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 22 58.906 9.689 2.274 1.00 0.00 H new ATOM 307 N THR A 23 58.301 13.660 0.580 1.00 0.00 N ATOM 308 CA THR A 23 59.169 14.447 -0.347 1.00 0.00 C ATOM 309 C THR A 23 59.254 15.939 0.019 1.00 0.00 C ATOM 310 O THR A 23 60.315 16.344 0.453 1.00 0.00 O ATOM 311 CB THR A 23 58.612 14.191 -1.789 1.00 0.00 C ATOM 312 OG1 THR A 23 59.301 15.093 -2.643 1.00 0.00 O ATOM 313 CG2 THR A 23 57.111 14.432 -1.985 1.00 0.00 C ATOM 0 H THR A 23 57.306 13.685 0.359 1.00 0.00 H new ATOM 0 HA THR A 23 60.206 14.118 -0.274 1.00 0.00 H new ATOM 0 HB THR A 23 58.766 13.133 -2.001 1.00 0.00 H new ATOM 0 HG1 THR A 23 60.207 15.240 -2.300 1.00 0.00 H new ATOM 0 HG21 THR A 23 56.841 14.223 -3.020 1.00 0.00 H new ATOM 0 HG22 THR A 23 56.547 13.774 -1.323 1.00 0.00 H new ATOM 0 HG23 THR A 23 56.876 15.470 -1.751 1.00 0.00 H new ATOM 321 N ARG A 24 58.203 16.717 -0.142 1.00 0.00 N ATOM 322 CA ARG A 24 58.227 18.194 0.196 1.00 0.00 C ATOM 323 C ARG A 24 59.133 19.037 -0.712 1.00 0.00 C ATOM 324 O ARG A 24 59.051 20.249 -0.754 1.00 0.00 O ATOM 325 CB ARG A 24 58.710 18.406 1.653 1.00 0.00 C ATOM 326 CG ARG A 24 57.728 17.722 2.614 1.00 0.00 C ATOM 327 CD ARG A 24 58.169 17.843 4.082 1.00 0.00 C ATOM 328 NE ARG A 24 59.442 17.083 4.269 1.00 0.00 N ATOM 329 CZ ARG A 24 60.504 17.593 4.845 1.00 0.00 C ATOM 330 NH1 ARG A 24 60.517 18.820 5.299 1.00 0.00 N ATOM 331 NH2 ARG A 24 61.555 16.828 4.953 1.00 0.00 N ATOM 0 H ARG A 24 57.307 16.387 -0.501 1.00 0.00 H new ATOM 0 HA ARG A 24 57.200 18.529 0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 24 59.710 17.993 1.781 1.00 0.00 H new ATOM 0 HB3 ARG A 24 58.774 19.471 1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 24 56.739 18.165 2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 24 57.638 16.668 2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 24 58.313 18.890 4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 24 57.395 17.450 4.742 1.00 0.00 H new ATOM 0 HE ARG A 24 59.487 16.121 3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 24 59.687 19.406 5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 24 61.357 19.191 5.743 1.00 0.00 H new ATOM 0 HH21 ARG A 24 61.529 15.873 4.596 1.00 0.00 H new ATOM 0 HH22 ARG A 24 62.402 17.185 5.394 1.00 0.00 H new ATOM 345 N ASN A 25 59.967 18.326 -1.407 1.00 0.00 N ATOM 346 CA ASN A 25 60.959 18.885 -2.351 1.00 0.00 C ATOM 347 C ASN A 25 60.495 19.865 -3.453 1.00 0.00 C ATOM 348 O ASN A 25 61.329 20.601 -3.944 1.00 0.00 O ATOM 349 CB ASN A 25 61.659 17.662 -2.954 1.00 0.00 C ATOM 350 CG ASN A 25 62.395 16.879 -1.854 1.00 0.00 C ATOM 351 OD1 ASN A 25 62.005 15.671 -1.557 1.00 0.00 O flip ATOM 352 ND2 ASN A 25 63.334 17.363 -1.255 1.00 0.00 N flip ATOM 0 H ASN A 25 59.999 17.308 -1.351 1.00 0.00 H new ATOM 0 HA ASN A 25 61.595 19.555 -1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 25 60.927 17.018 -3.442 1.00 0.00 H new ATOM 0 HB3 ASN A 25 62.366 17.979 -3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 25 63.649 18.307 -1.478 1.00 0.00 H new ATOM 0 HD22 ASN A 25 63.808 16.825 -0.529 1.00 0.00 H new ATOM 359 N LYS A 26 59.233 19.879 -3.824 1.00 0.00 N ATOM 360 CA LYS A 26 58.777 20.826 -4.892 1.00 0.00 C ATOM 361 C LYS A 26 57.755 21.820 -4.311 1.00 0.00 C ATOM 362 O LYS A 26 57.595 21.915 -3.110 1.00 0.00 O ATOM 363 CB LYS A 26 58.111 20.044 -6.078 1.00 0.00 C ATOM 364 CG LYS A 26 59.020 18.925 -6.667 1.00 0.00 C ATOM 365 CD LYS A 26 59.120 17.656 -5.778 1.00 0.00 C ATOM 366 CE LYS A 26 57.724 17.012 -5.632 1.00 0.00 C ATOM 367 NZ LYS A 26 57.810 15.783 -4.802 1.00 0.00 N ATOM 0 H LYS A 26 58.505 19.279 -3.435 1.00 0.00 H new ATOM 0 HA LYS A 26 59.649 21.365 -5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 26 57.178 19.600 -5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 26 57.855 20.748 -6.870 1.00 0.00 H new ATOM 0 HG2 LYS A 26 58.638 18.640 -7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 26 60.021 19.328 -6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 26 59.815 16.943 -6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 26 59.515 17.918 -4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 26 57.034 17.721 -5.174 1.00 0.00 H new ATOM 0 HE3 LYS A 26 57.323 16.768 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 56.868 15.549 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 58.157 14.994 -5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 58.466 15.944 -4.011 1.00 0.00 H new ATOM 381 N LEU A 27 57.102 22.525 -5.202 1.00 0.00 N ATOM 382 CA LEU A 27 56.065 23.548 -4.822 1.00 0.00 C ATOM 383 C LEU A 27 54.721 23.304 -5.520 1.00 0.00 C ATOM 384 O LEU A 27 53.940 24.198 -5.782 1.00 0.00 O ATOM 385 CB LEU A 27 56.603 24.952 -5.180 1.00 0.00 C ATOM 386 CG LEU A 27 57.909 25.282 -4.399 1.00 0.00 C ATOM 387 CD1 LEU A 27 58.416 26.669 -4.849 1.00 0.00 C ATOM 388 CD2 LEU A 27 57.638 25.337 -2.875 1.00 0.00 C ATOM 0 H LEU A 27 57.246 22.434 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 27 55.882 23.468 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 27 56.796 25.006 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.844 25.701 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 27 58.646 24.506 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 27 59.331 26.914 -4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 27 58.619 26.652 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 27 57.656 27.421 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 27 58.564 25.569 -2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 27 56.898 26.109 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 27 57.261 24.372 -2.537 1.00 0.00 H new ATOM 400 N VAL A 28 54.537 22.042 -5.770 1.00 0.00 N ATOM 401 CA VAL A 28 53.323 21.471 -6.441 1.00 0.00 C ATOM 402 C VAL A 28 53.262 19.987 -6.106 1.00 0.00 C ATOM 403 O VAL A 28 54.206 19.419 -5.592 1.00 0.00 O ATOM 404 CB VAL A 28 53.369 21.613 -8.005 1.00 0.00 C ATOM 405 CG1 VAL A 28 53.369 23.084 -8.455 1.00 0.00 C ATOM 406 CG2 VAL A 28 54.603 20.910 -8.587 1.00 0.00 C ATOM 0 H VAL A 28 55.224 21.331 -5.521 1.00 0.00 H new ATOM 0 HA VAL A 28 52.452 22.020 -6.083 1.00 0.00 H new ATOM 0 HB VAL A 28 52.464 21.137 -8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 28 53.402 23.132 -9.543 1.00 0.00 H new ATOM 0 HG12 VAL A 28 52.463 23.574 -8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 28 54.242 23.590 -8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 28 54.609 21.024 -9.671 1.00 0.00 H new ATOM 0 HG22 VAL A 28 55.506 21.356 -8.170 1.00 0.00 H new ATOM 0 HG23 VAL A 28 54.571 19.850 -8.334 1.00 0.00 H new ATOM 416 N LEU A 29 52.136 19.410 -6.424 1.00 0.00 N ATOM 417 CA LEU A 29 51.898 17.964 -6.165 1.00 0.00 C ATOM 418 C LEU A 29 53.035 17.065 -6.663 1.00 0.00 C ATOM 419 O LEU A 29 53.303 16.030 -6.091 1.00 0.00 O ATOM 420 CB LEU A 29 50.517 17.677 -6.815 1.00 0.00 C ATOM 421 CG LEU A 29 49.994 16.213 -6.635 1.00 0.00 C ATOM 422 CD1 LEU A 29 48.519 16.147 -7.056 1.00 0.00 C ATOM 423 CD2 LEU A 29 50.721 15.213 -7.567 1.00 0.00 C ATOM 0 H LEU A 29 51.353 19.894 -6.863 1.00 0.00 H new ATOM 0 HA LEU A 29 51.883 17.732 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 29 49.783 18.364 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 29 50.581 17.896 -7.881 1.00 0.00 H new ATOM 0 HG LEU A 29 50.160 15.953 -5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 29 48.151 15.129 -6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 29 47.933 16.823 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 29 48.425 16.442 -8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 29 50.324 14.211 -7.406 1.00 0.00 H new ATOM 0 HD22 LEU A 29 50.563 15.503 -8.606 1.00 0.00 H new ATOM 0 HD23 LEU A 29 51.788 15.220 -7.346 1.00 0.00 H new ATOM 435 N CYS A 30 53.685 17.478 -7.707 1.00 0.00 N ATOM 436 CA CYS A 30 54.815 16.656 -8.255 1.00 0.00 C ATOM 437 C CYS A 30 55.798 17.562 -9.021 1.00 0.00 C ATOM 438 O CYS A 30 56.372 18.445 -8.412 1.00 0.00 O ATOM 439 CB CYS A 30 54.208 15.571 -9.168 1.00 0.00 C ATOM 440 SG CYS A 30 55.311 14.280 -9.798 1.00 0.00 S ATOM 0 H CYS A 30 53.492 18.344 -8.210 1.00 0.00 H new ATOM 0 HA CYS A 30 55.378 16.177 -7.454 1.00 0.00 H new ATOM 0 HB2 CYS A 30 53.402 15.084 -8.619 1.00 0.00 H new ATOM 0 HB3 CYS A 30 53.754 16.070 -10.024 1.00 0.00 H new ATOM 445 N ASP A 31 55.980 17.342 -10.304 1.00 0.00 N ATOM 446 CA ASP A 31 56.921 18.183 -11.116 1.00 0.00 C ATOM 447 C ASP A 31 56.882 17.813 -12.602 1.00 0.00 C ATOM 448 O ASP A 31 56.789 18.663 -13.465 1.00 0.00 O ATOM 449 CB ASP A 31 58.371 17.997 -10.599 1.00 0.00 C ATOM 450 CG ASP A 31 59.357 18.806 -11.463 1.00 0.00 C ATOM 451 OD1 ASP A 31 59.498 19.982 -11.170 1.00 0.00 O ATOM 452 OD2 ASP A 31 59.909 18.199 -12.368 1.00 0.00 O ATOM 0 H ASP A 31 55.510 16.605 -10.830 1.00 0.00 H new ATOM 0 HA ASP A 31 56.603 19.220 -11.009 1.00 0.00 H new ATOM 0 HB2 ASP A 31 58.438 18.320 -9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 31 58.639 16.941 -10.622 1.00 0.00 H new ATOM 457 N LYS A 32 56.958 16.531 -12.826 1.00 0.00 N ATOM 458 CA LYS A 32 56.946 15.963 -14.212 1.00 0.00 C ATOM 459 C LYS A 32 55.590 16.086 -14.931 1.00 0.00 C ATOM 460 O LYS A 32 55.437 15.571 -16.024 1.00 0.00 O ATOM 461 CB LYS A 32 57.364 14.476 -14.110 1.00 0.00 C ATOM 462 CG LYS A 32 58.732 14.329 -13.382 1.00 0.00 C ATOM 463 CD LYS A 32 59.863 15.087 -14.124 1.00 0.00 C ATOM 464 CE LYS A 32 61.182 14.929 -13.347 1.00 0.00 C ATOM 465 NZ LYS A 32 61.050 15.509 -11.978 1.00 0.00 N ATOM 0 H LYS A 32 57.030 15.831 -12.088 1.00 0.00 H new ATOM 0 HA LYS A 32 57.642 16.543 -14.818 1.00 0.00 H new ATOM 0 HB2 LYS A 32 56.600 13.916 -13.571 1.00 0.00 H new ATOM 0 HB3 LYS A 32 57.431 14.044 -15.109 1.00 0.00 H new ATOM 0 HG2 LYS A 32 58.645 14.711 -12.365 1.00 0.00 H new ATOM 0 HG3 LYS A 32 58.991 13.273 -13.305 1.00 0.00 H new ATOM 0 HD2 LYS A 32 59.975 14.696 -15.135 1.00 0.00 H new ATOM 0 HD3 LYS A 32 59.608 16.143 -14.217 1.00 0.00 H new ATOM 0 HE2 LYS A 32 61.447 13.874 -13.278 1.00 0.00 H new ATOM 0 HE3 LYS A 32 61.990 15.426 -13.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 61.995 15.645 -11.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 60.562 16.426 -12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 60.500 14.861 -11.378 1.00 0.00 H new ATOM 479 N LYS A 33 54.649 16.758 -14.315 1.00 0.00 N ATOM 480 CA LYS A 33 53.297 16.930 -14.938 1.00 0.00 C ATOM 481 C LYS A 33 52.540 18.083 -14.274 1.00 0.00 C ATOM 482 O LYS A 33 52.841 18.471 -13.161 1.00 0.00 O ATOM 483 CB LYS A 33 52.517 15.598 -14.775 1.00 0.00 C ATOM 484 CG LYS A 33 51.093 15.649 -15.386 1.00 0.00 C ATOM 485 CD LYS A 33 51.172 15.890 -16.920 1.00 0.00 C ATOM 486 CE LYS A 33 49.762 15.930 -17.535 1.00 0.00 C ATOM 487 NZ LYS A 33 49.063 14.630 -17.325 1.00 0.00 N ATOM 0 H LYS A 33 54.759 17.198 -13.401 1.00 0.00 H new ATOM 0 HA LYS A 33 53.402 17.173 -15.995 1.00 0.00 H new ATOM 0 HB2 LYS A 33 53.080 14.794 -15.248 1.00 0.00 H new ATOM 0 HB3 LYS A 33 52.443 15.355 -13.715 1.00 0.00 H new ATOM 0 HG2 LYS A 33 50.570 14.714 -15.184 1.00 0.00 H new ATOM 0 HG3 LYS A 33 50.516 16.445 -14.915 1.00 0.00 H new ATOM 0 HD2 LYS A 33 51.689 16.829 -17.120 1.00 0.00 H new ATOM 0 HD3 LYS A 33 51.757 15.098 -17.388 1.00 0.00 H new ATOM 0 HE2 LYS A 33 49.185 16.737 -17.084 1.00 0.00 H new ATOM 0 HE3 LYS A 33 49.830 16.145 -18.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 48.424 14.446 -18.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 49.765 13.865 -17.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 48.512 14.671 -16.444 1.00 0.00 H new ATOM 501 N CYS A 34 51.578 18.587 -15.007 1.00 0.00 N ATOM 502 CA CYS A 34 50.729 19.711 -14.526 1.00 0.00 C ATOM 503 C CYS A 34 49.236 19.586 -14.868 1.00 0.00 C ATOM 504 O CYS A 34 48.704 20.206 -15.771 1.00 0.00 O ATOM 505 CB CYS A 34 51.237 21.023 -15.096 1.00 0.00 C ATOM 506 SG CYS A 34 52.770 21.751 -14.468 1.00 0.00 S ATOM 0 H CYS A 34 51.343 18.254 -15.942 1.00 0.00 H new ATOM 0 HA CYS A 34 50.807 19.678 -13.439 1.00 0.00 H new ATOM 0 HB2 CYS A 34 51.361 20.883 -16.170 1.00 0.00 H new ATOM 0 HB3 CYS A 34 50.448 21.762 -14.960 1.00 0.00 H new ATOM 511 N ASN A 35 48.621 18.747 -14.090 1.00 0.00 N ATOM 512 CA ASN A 35 47.160 18.459 -14.215 1.00 0.00 C ATOM 513 C ASN A 35 46.392 19.642 -13.592 1.00 0.00 C ATOM 514 O ASN A 35 46.842 20.233 -12.629 1.00 0.00 O ATOM 515 CB ASN A 35 46.768 17.179 -13.435 1.00 0.00 C ATOM 516 CG ASN A 35 47.511 15.924 -13.905 1.00 0.00 C ATOM 517 OD1 ASN A 35 48.060 15.859 -14.985 1.00 0.00 O ATOM 518 ND2 ASN A 35 47.538 14.899 -13.096 1.00 0.00 N ATOM 0 H ASN A 35 49.084 18.228 -13.344 1.00 0.00 H new ATOM 0 HA ASN A 35 46.919 18.317 -15.269 1.00 0.00 H new ATOM 0 HB2 ASN A 35 46.968 17.334 -12.375 1.00 0.00 H new ATOM 0 HB3 ASN A 35 45.695 17.016 -13.537 1.00 0.00 H new ATOM 0 HD21 ASN A 35 48.021 14.044 -13.372 1.00 0.00 H new ATOM 0 HD22 ASN A 35 47.076 14.954 -12.188 1.00 0.00 H new ATOM 525 N GLN A 36 45.258 19.947 -14.167 1.00 0.00 N ATOM 526 CA GLN A 36 44.401 21.071 -13.668 1.00 0.00 C ATOM 527 C GLN A 36 43.242 20.395 -12.944 1.00 0.00 C ATOM 528 O GLN A 36 42.155 20.223 -13.463 1.00 0.00 O ATOM 529 CB GLN A 36 43.908 21.899 -14.876 1.00 0.00 C ATOM 530 CG GLN A 36 45.112 22.464 -15.653 1.00 0.00 C ATOM 531 CD GLN A 36 44.602 23.276 -16.849 1.00 0.00 C ATOM 532 OE1 GLN A 36 44.267 24.437 -16.730 1.00 0.00 O ATOM 533 NE2 GLN A 36 44.530 22.702 -18.018 1.00 0.00 N ATOM 0 H GLN A 36 44.880 19.456 -14.977 1.00 0.00 H new ATOM 0 HA GLN A 36 44.929 21.755 -13.003 1.00 0.00 H new ATOM 0 HB2 GLN A 36 43.302 21.275 -15.532 1.00 0.00 H new ATOM 0 HB3 GLN A 36 43.271 22.714 -14.533 1.00 0.00 H new ATOM 0 HG2 GLN A 36 45.717 23.094 -15.002 1.00 0.00 H new ATOM 0 HG3 GLN A 36 45.753 21.652 -15.996 1.00 0.00 H new ATOM 0 HE21 GLN A 36 44.810 21.727 -18.126 1.00 0.00 H new ATOM 0 HE22 GLN A 36 44.194 23.228 -18.825 1.00 0.00 H new ATOM 542 N ARG A 37 43.561 20.033 -11.733 1.00 0.00 N ATOM 543 CA ARG A 37 42.590 19.351 -10.831 1.00 0.00 C ATOM 544 C ARG A 37 43.042 19.586 -9.392 1.00 0.00 C ATOM 545 O ARG A 37 43.693 20.577 -9.115 1.00 0.00 O ATOM 546 CB ARG A 37 42.560 17.833 -11.181 1.00 0.00 C ATOM 547 CG ARG A 37 43.951 17.174 -11.016 1.00 0.00 C ATOM 548 CD ARG A 37 43.822 15.685 -11.383 1.00 0.00 C ATOM 549 NE ARG A 37 45.158 15.030 -11.230 1.00 0.00 N ATOM 550 CZ ARG A 37 45.274 13.725 -11.174 1.00 0.00 C ATOM 551 NH1 ARG A 37 44.220 12.956 -11.248 1.00 0.00 N ATOM 552 NH2 ARG A 37 46.470 13.222 -11.042 1.00 0.00 N ATOM 0 H ARG A 37 44.481 20.186 -11.319 1.00 0.00 H new ATOM 0 HA ARG A 37 41.581 19.745 -10.954 1.00 0.00 H new ATOM 0 HB2 ARG A 37 41.840 17.327 -10.538 1.00 0.00 H new ATOM 0 HB3 ARG A 37 42.217 17.704 -12.207 1.00 0.00 H new ATOM 0 HG2 ARG A 37 44.682 17.663 -11.660 1.00 0.00 H new ATOM 0 HG3 ARG A 37 44.305 17.284 -9.991 1.00 0.00 H new ATOM 0 HD2 ARG A 37 43.089 15.200 -10.739 1.00 0.00 H new ATOM 0 HD3 ARG A 37 43.465 15.579 -12.408 1.00 0.00 H new ATOM 0 HE ARG A 37 45.995 15.610 -11.168 1.00 0.00 H new ATOM 0 HH11 ARG A 37 43.293 13.369 -11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 37 44.324 11.942 -11.203 1.00 0.00 H new ATOM 0 HH21 ARG A 37 47.280 13.840 -10.986 1.00 0.00 H new ATOM 0 HH22 ARG A 37 46.596 12.211 -10.995 1.00 0.00 H new ATOM 566 N CYS A 38 42.693 18.681 -8.516 1.00 0.00 N ATOM 567 CA CYS A 38 43.100 18.850 -7.092 1.00 0.00 C ATOM 568 C CYS A 38 44.577 18.487 -6.843 1.00 0.00 C ATOM 569 O CYS A 38 45.176 17.709 -7.560 1.00 0.00 O ATOM 570 CB CYS A 38 42.227 17.971 -6.183 1.00 0.00 C ATOM 571 SG CYS A 38 42.665 18.207 -4.446 1.00 0.00 S ATOM 0 H CYS A 38 42.150 17.842 -8.722 1.00 0.00 H new ATOM 0 HA CYS A 38 42.966 19.907 -6.860 1.00 0.00 H new ATOM 0 HB2 CYS A 38 41.176 18.216 -6.334 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.352 16.923 -6.455 1.00 0.00 H new ATOM 576 N GLY A 39 45.095 19.093 -5.805 1.00 0.00 N ATOM 577 CA GLY A 39 46.512 18.902 -5.360 1.00 0.00 C ATOM 578 C GLY A 39 46.693 19.697 -4.062 1.00 0.00 C ATOM 579 O GLY A 39 45.840 20.498 -3.733 1.00 0.00 O ATOM 0 H GLY A 39 44.569 19.743 -5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 39 46.724 17.845 -5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 39 47.205 19.252 -6.125 1.00 0.00 H new ATOM 583 N CYS A 40 47.773 19.481 -3.346 1.00 0.00 N ATOM 584 CA CYS A 40 47.965 20.251 -2.082 1.00 0.00 C ATOM 585 C CYS A 40 48.044 21.748 -2.356 1.00 0.00 C ATOM 586 O CYS A 40 48.342 22.180 -3.453 1.00 0.00 O ATOM 587 CB CYS A 40 49.256 19.816 -1.368 1.00 0.00 C ATOM 588 SG CYS A 40 49.304 18.162 -0.643 1.00 0.00 S ATOM 0 H CYS A 40 48.513 18.819 -3.578 1.00 0.00 H new ATOM 0 HA CYS A 40 47.104 20.044 -1.447 1.00 0.00 H new ATOM 0 HB2 CYS A 40 50.075 19.892 -2.083 1.00 0.00 H new ATOM 0 HB3 CYS A 40 49.458 20.535 -0.574 1.00 0.00 H new ATOM 593 N ILE A 41 47.768 22.482 -1.316 1.00 0.00 N ATOM 594 CA ILE A 41 47.792 23.972 -1.403 1.00 0.00 C ATOM 595 C ILE A 41 49.246 24.411 -1.620 1.00 0.00 C ATOM 596 O ILE A 41 50.174 23.655 -1.405 1.00 0.00 O ATOM 597 CB ILE A 41 47.226 24.561 -0.083 1.00 0.00 C ATOM 598 CG1 ILE A 41 45.836 23.901 0.200 1.00 0.00 C ATOM 599 CG2 ILE A 41 47.028 26.094 -0.245 1.00 0.00 C ATOM 600 CD1 ILE A 41 45.222 24.389 1.527 1.00 0.00 C ATOM 0 H ILE A 41 47.524 22.111 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 41 47.180 24.331 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 41 47.916 24.365 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 41 45.154 24.128 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 41 45.949 22.817 0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 41 46.631 26.509 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 41 47.986 26.563 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 41 46.329 26.287 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 41 44.258 23.904 1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 41 45.890 24.139 2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 41 45.083 25.469 1.488 1.00 0.00 H new ATOM 612 N SER A 42 49.382 25.638 -2.042 1.00 0.00 N ATOM 613 CA SER A 42 50.729 26.222 -2.305 1.00 0.00 C ATOM 614 C SER A 42 51.448 26.485 -0.975 1.00 0.00 C ATOM 615 O SER A 42 51.272 27.507 -0.338 1.00 0.00 O ATOM 616 CB SER A 42 50.533 27.528 -3.121 1.00 0.00 C ATOM 617 OG SER A 42 49.688 28.351 -2.327 1.00 0.00 O ATOM 0 H SER A 42 48.603 26.272 -2.219 1.00 0.00 H new ATOM 0 HA SER A 42 51.350 25.534 -2.878 1.00 0.00 H new ATOM 0 HB2 SER A 42 51.488 28.017 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 42 50.080 27.320 -4.090 1.00 0.00 H new ATOM 0 HG SER A 42 49.967 28.298 -1.389 1.00 0.00 H new ATOM 623 N GLY A 43 52.246 25.515 -0.609 1.00 0.00 N ATOM 624 CA GLY A 43 53.035 25.579 0.655 1.00 0.00 C ATOM 625 C GLY A 43 52.713 24.380 1.554 1.00 0.00 C ATOM 626 O GLY A 43 53.154 24.347 2.685 1.00 0.00 O ATOM 0 H GLY A 43 52.386 24.661 -1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 43 54.100 25.592 0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.812 26.506 1.183 1.00 0.00 H new ATOM 630 N THR A 44 51.961 23.438 1.033 1.00 0.00 N ATOM 631 CA THR A 44 51.593 22.227 1.832 1.00 0.00 C ATOM 632 C THR A 44 51.853 20.940 1.050 1.00 0.00 C ATOM 633 O THR A 44 51.996 20.932 -0.157 1.00 0.00 O ATOM 634 CB THR A 44 50.087 22.275 2.237 1.00 0.00 C ATOM 635 OG1 THR A 44 49.327 22.303 1.034 1.00 0.00 O ATOM 636 CG2 THR A 44 49.741 23.591 2.934 1.00 0.00 C ATOM 0 H THR A 44 51.586 23.457 0.085 1.00 0.00 H new ATOM 0 HA THR A 44 52.217 22.230 2.725 1.00 0.00 H new ATOM 0 HB THR A 44 49.882 21.424 2.887 1.00 0.00 H new ATOM 0 HG1 THR A 44 49.825 22.789 0.344 1.00 0.00 H new ATOM 0 HG21 THR A 44 48.685 23.593 3.203 1.00 0.00 H new ATOM 0 HG22 THR A 44 50.346 23.695 3.835 1.00 0.00 H new ATOM 0 HG23 THR A 44 49.946 24.424 2.261 1.00 0.00 H new ATOM 644 N VAL A 45 51.898 19.893 1.826 1.00 0.00 N ATOM 645 CA VAL A 45 52.137 18.505 1.331 1.00 0.00 C ATOM 646 C VAL A 45 51.177 17.544 2.001 1.00 0.00 C ATOM 647 O VAL A 45 50.886 17.703 3.167 1.00 0.00 O ATOM 648 CB VAL A 45 53.567 18.053 1.651 1.00 0.00 C ATOM 649 CG1 VAL A 45 54.522 18.863 0.823 1.00 0.00 C ATOM 650 CG2 VAL A 45 53.911 18.294 3.145 1.00 0.00 C ATOM 0 H VAL A 45 51.772 19.947 2.837 1.00 0.00 H new ATOM 0 HA VAL A 45 51.985 18.504 0.252 1.00 0.00 H new ATOM 0 HB VAL A 45 53.647 16.988 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 45 55.544 18.553 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 45 54.311 18.705 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 45 54.405 19.920 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 45 54.931 17.964 3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 45 53.824 19.357 3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 45 53.220 17.731 3.773 1.00 0.00 H new ATOM 660 N LEU A 46 50.722 16.571 1.257 1.00 0.00 N ATOM 661 CA LEU A 46 49.769 15.569 1.821 1.00 0.00 C ATOM 662 C LEU A 46 50.438 14.993 3.084 1.00 0.00 C ATOM 663 O LEU A 46 51.583 14.588 3.043 1.00 0.00 O ATOM 664 CB LEU A 46 49.544 14.501 0.758 1.00 0.00 C ATOM 665 CG LEU A 46 48.414 13.510 1.113 1.00 0.00 C ATOM 666 CD1 LEU A 46 47.066 14.266 1.224 1.00 0.00 C ATOM 667 CD2 LEU A 46 48.313 12.460 -0.015 1.00 0.00 C ATOM 0 H LEU A 46 50.970 16.426 0.278 1.00 0.00 H new ATOM 0 HA LEU A 46 48.801 15.992 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 46 49.308 14.986 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 46 50.470 13.946 0.609 1.00 0.00 H new ATOM 0 HG LEU A 46 48.632 13.028 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 46 46.273 13.561 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 46 47.137 15.024 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 46 46.838 14.745 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 46 47.519 11.750 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 46 48.088 12.959 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 46 49.260 11.928 -0.103 1.00 0.00 H new ATOM 679 N LYS A 47 49.693 14.987 4.157 1.00 0.00 N ATOM 680 CA LYS A 47 50.192 14.471 5.472 1.00 0.00 C ATOM 681 C LYS A 47 51.009 13.174 5.380 1.00 0.00 C ATOM 682 O LYS A 47 51.967 13.007 6.110 1.00 0.00 O ATOM 683 CB LYS A 47 48.959 14.286 6.395 1.00 0.00 C ATOM 684 CG LYS A 47 49.399 13.675 7.747 1.00 0.00 C ATOM 685 CD LYS A 47 48.233 13.600 8.765 1.00 0.00 C ATOM 686 CE LYS A 47 47.058 12.764 8.226 1.00 0.00 C ATOM 687 NZ LYS A 47 47.518 11.393 7.860 1.00 0.00 N ATOM 0 H LYS A 47 48.732 15.327 4.180 1.00 0.00 H new ATOM 0 HA LYS A 47 50.894 15.201 5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 47 48.471 15.247 6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 47 48.228 13.637 5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 47 49.797 12.674 7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 47 50.208 14.273 8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 47 48.592 13.164 9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 47 47.887 14.607 8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 47 46.273 12.702 8.979 1.00 0.00 H new ATOM 0 HE3 LYS A 47 46.625 13.254 7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 47.483 11.279 6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 48.494 11.255 8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 46.898 10.688 8.307 1.00 0.00 H new ATOM 701 N SER A 48 50.611 12.300 4.495 1.00 0.00 N ATOM 702 CA SER A 48 51.340 11.005 4.325 1.00 0.00 C ATOM 703 C SER A 48 51.399 10.663 2.843 1.00 0.00 C ATOM 704 O SER A 48 50.864 11.381 2.019 1.00 0.00 O ATOM 705 CB SER A 48 50.596 9.893 5.089 1.00 0.00 C ATOM 706 OG SER A 48 50.564 10.348 6.434 1.00 0.00 O ATOM 0 H SER A 48 49.808 12.426 3.878 1.00 0.00 H new ATOM 0 HA SER A 48 52.352 11.093 4.721 1.00 0.00 H new ATOM 0 HB2 SER A 48 49.590 9.745 4.696 1.00 0.00 H new ATOM 0 HB3 SER A 48 51.115 8.938 5.005 1.00 0.00 H new ATOM 0 HG SER A 48 50.100 9.689 6.991 1.00 0.00 H new ATOM 712 N LYS A 49 52.053 9.562 2.561 1.00 0.00 N ATOM 713 CA LYS A 49 52.204 9.082 1.154 1.00 0.00 C ATOM 714 C LYS A 49 50.848 9.012 0.432 1.00 0.00 C ATOM 715 O LYS A 49 50.804 9.001 -0.785 1.00 0.00 O ATOM 716 CB LYS A 49 52.867 7.677 1.150 1.00 0.00 C ATOM 717 CG LYS A 49 54.368 7.716 1.595 1.00 0.00 C ATOM 718 CD LYS A 49 54.613 8.219 3.044 1.00 0.00 C ATOM 719 CE LYS A 49 53.899 7.321 4.077 1.00 0.00 C ATOM 720 NZ LYS A 49 54.407 5.924 3.979 1.00 0.00 N ATOM 0 H LYS A 49 52.496 8.966 3.261 1.00 0.00 H new ATOM 0 HA LYS A 49 52.834 9.795 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 49 52.312 7.016 1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 49 52.800 7.251 0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 49 54.785 6.714 1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 49 54.918 8.357 0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 49 55.683 8.234 3.250 1.00 0.00 H new ATOM 0 HD3 LYS A 49 54.255 9.244 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 49 54.066 7.707 5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 49 52.823 7.338 3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 54.092 5.381 4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 54.038 5.480 3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 55.446 5.934 3.946 1.00 0.00 H new ATOM 734 N ASP A 50 49.785 8.969 1.203 1.00 0.00 N ATOM 735 CA ASP A 50 48.418 8.902 0.608 1.00 0.00 C ATOM 736 C ASP A 50 47.335 9.299 1.644 1.00 0.00 C ATOM 737 O ASP A 50 46.349 8.606 1.813 1.00 0.00 O ATOM 738 CB ASP A 50 48.204 7.447 0.082 1.00 0.00 C ATOM 739 CG ASP A 50 46.840 7.308 -0.623 1.00 0.00 C ATOM 740 OD1 ASP A 50 46.665 8.002 -1.612 1.00 0.00 O ATOM 741 OD2 ASP A 50 46.048 6.515 -0.137 1.00 0.00 O ATOM 0 H ASP A 50 49.810 8.978 2.223 1.00 0.00 H new ATOM 0 HA ASP A 50 48.327 9.612 -0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 50 49.004 7.186 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 50 48.261 6.744 0.913 1.00 0.00 H new ATOM 746 N SER A 51 47.537 10.408 2.321 1.00 0.00 N ATOM 747 CA SER A 51 46.536 10.868 3.340 1.00 0.00 C ATOM 748 C SER A 51 45.366 11.562 2.588 1.00 0.00 C ATOM 749 O SER A 51 45.112 11.247 1.441 1.00 0.00 O ATOM 750 CB SER A 51 47.276 11.827 4.301 1.00 0.00 C ATOM 751 OG SER A 51 46.337 12.115 5.325 1.00 0.00 O ATOM 0 H SER A 51 48.351 11.013 2.212 1.00 0.00 H new ATOM 0 HA SER A 51 46.113 10.050 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 51 48.174 11.363 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 51 47.591 12.735 3.787 1.00 0.00 H new ATOM 0 HG SER A 51 45.909 11.284 5.620 1.00 0.00 H new ATOM 757 N SER A 52 44.688 12.478 3.238 1.00 0.00 N ATOM 758 CA SER A 52 43.537 13.214 2.613 1.00 0.00 C ATOM 759 C SER A 52 43.595 14.728 2.900 1.00 0.00 C ATOM 760 O SER A 52 42.819 15.487 2.352 1.00 0.00 O ATOM 761 CB SER A 52 42.226 12.625 3.165 1.00 0.00 C ATOM 762 OG SER A 52 42.297 12.832 4.570 1.00 0.00 O ATOM 0 H SER A 52 44.888 12.754 4.199 1.00 0.00 H new ATOM 0 HA SER A 52 43.591 13.091 1.531 1.00 0.00 H new ATOM 0 HB2 SER A 52 41.357 13.123 2.735 1.00 0.00 H new ATOM 0 HB3 SER A 52 42.137 11.565 2.925 1.00 0.00 H new ATOM 0 HG SER A 52 41.487 12.480 4.994 1.00 0.00 H new ATOM 768 N GLU A 53 44.513 15.114 3.752 1.00 0.00 N ATOM 769 CA GLU A 53 44.685 16.556 4.126 1.00 0.00 C ATOM 770 C GLU A 53 46.174 16.900 4.088 1.00 0.00 C ATOM 771 O GLU A 53 46.983 16.142 4.587 1.00 0.00 O ATOM 772 CB GLU A 53 44.133 16.783 5.546 1.00 0.00 C ATOM 773 CG GLU A 53 42.634 16.425 5.592 1.00 0.00 C ATOM 774 CD GLU A 53 42.101 16.648 7.015 1.00 0.00 C ATOM 775 OE1 GLU A 53 41.733 17.778 7.291 1.00 0.00 O ATOM 776 OE2 GLU A 53 42.091 15.673 7.750 1.00 0.00 O ATOM 0 H GLU A 53 45.164 14.479 4.214 1.00 0.00 H new ATOM 0 HA GLU A 53 44.144 17.193 3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 53 44.683 16.172 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.276 17.823 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.080 17.040 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 53 42.487 15.386 5.295 1.00 0.00 H new ATOM 783 N CYS A 54 46.489 18.030 3.502 1.00 0.00 N ATOM 784 CA CYS A 54 47.920 18.458 3.408 1.00 0.00 C ATOM 785 C CYS A 54 48.272 19.446 4.533 1.00 0.00 C ATOM 786 O CYS A 54 47.467 20.255 4.950 1.00 0.00 O ATOM 787 CB CYS A 54 48.160 19.131 2.054 1.00 0.00 C ATOM 788 SG CYS A 54 47.678 18.237 0.555 1.00 0.00 S ATOM 0 H CYS A 54 45.817 18.674 3.085 1.00 0.00 H new ATOM 0 HA CYS A 54 48.552 17.576 3.508 1.00 0.00 H new ATOM 0 HB2 CYS A 54 47.631 20.084 2.058 1.00 0.00 H new ATOM 0 HB3 CYS A 54 49.224 19.357 1.979 1.00 0.00 H new ATOM 793 N VAL A 55 49.495 19.316 4.968 1.00 0.00 N ATOM 794 CA VAL A 55 50.104 20.145 6.050 1.00 0.00 C ATOM 795 C VAL A 55 51.435 20.687 5.525 1.00 0.00 C ATOM 796 O VAL A 55 52.066 20.041 4.713 1.00 0.00 O ATOM 797 CB VAL A 55 50.333 19.258 7.302 1.00 0.00 C ATOM 798 CG1 VAL A 55 48.967 18.816 7.877 1.00 0.00 C ATOM 799 CG2 VAL A 55 51.118 17.981 6.919 1.00 0.00 C ATOM 0 H VAL A 55 50.138 18.621 4.590 1.00 0.00 H new ATOM 0 HA VAL A 55 49.451 20.972 6.329 1.00 0.00 H new ATOM 0 HB VAL A 55 50.895 19.837 8.035 1.00 0.00 H new ATOM 0 HG11 VAL A 55 49.127 18.193 8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 55 48.388 19.696 8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 55 48.422 18.247 7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 55 51.271 17.368 7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 55 50.552 17.414 6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 55 52.085 18.260 6.499 1.00 0.00 H new ATOM 809 N HIS A 56 51.834 21.843 5.990 1.00 0.00 N ATOM 810 CA HIS A 56 53.128 22.440 5.524 1.00 0.00 C ATOM 811 C HIS A 56 54.322 21.506 5.795 1.00 0.00 C ATOM 812 O HIS A 56 54.236 20.650 6.654 1.00 0.00 O ATOM 813 CB HIS A 56 53.347 23.781 6.245 1.00 0.00 C ATOM 814 CG HIS A 56 52.193 24.727 5.895 1.00 0.00 C ATOM 815 ND1 HIS A 56 52.234 25.638 4.980 1.00 0.00 N ATOM 816 CD2 HIS A 56 50.919 24.833 6.427 1.00 0.00 C ATOM 817 CE1 HIS A 56 51.099 26.260 4.933 1.00 0.00 C ATOM 818 NE2 HIS A 56 50.252 25.792 5.817 1.00 0.00 N ATOM 0 H HIS A 56 51.322 22.402 6.672 1.00 0.00 H new ATOM 0 HA HIS A 56 53.066 22.590 4.446 1.00 0.00 H new ATOM 0 HB2 HIS A 56 53.394 23.626 7.323 1.00 0.00 H new ATOM 0 HB3 HIS A 56 54.298 24.220 5.944 1.00 0.00 H new ATOM 0 HD1 HIS A 56 53.038 25.837 4.385 1.00 0.00 H new ATOM 0 HD2 HIS A 56 50.529 24.219 7.225 1.00 0.00 H new ATOM 0 HE1 HIS A 56 50.878 27.066 4.249 1.00 0.00 H new ATOM 826 N PRO A 57 55.401 21.686 5.061 1.00 0.00 N ATOM 827 CA PRO A 57 56.664 20.986 5.364 1.00 0.00 C ATOM 828 C PRO A 57 57.114 21.293 6.798 1.00 0.00 C ATOM 829 O PRO A 57 57.751 20.475 7.432 1.00 0.00 O ATOM 830 CB PRO A 57 57.658 21.550 4.327 1.00 0.00 C ATOM 831 CG PRO A 57 57.026 22.796 3.817 1.00 0.00 C ATOM 832 CD PRO A 57 55.549 22.557 3.879 1.00 0.00 C ATOM 0 HA PRO A 57 56.579 19.901 5.304 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.626 21.758 4.782 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.831 20.838 3.520 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.309 23.655 4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 57 57.346 23.008 2.797 1.00 0.00 H new ATOM 0 HD2 PRO A 57 54.994 23.488 3.992 1.00 0.00 H new ATOM 0 HD3 PRO A 57 55.180 22.075 2.974 1.00 0.00 H new ATOM 840 N SER A 58 56.744 22.473 7.230 1.00 0.00 N ATOM 841 CA SER A 58 57.077 22.959 8.601 1.00 0.00 C ATOM 842 C SER A 58 55.840 22.820 9.478 1.00 0.00 C ATOM 843 O SER A 58 55.465 23.703 10.226 1.00 0.00 O ATOM 844 CB SER A 58 57.545 24.430 8.485 1.00 0.00 C ATOM 845 OG SER A 58 56.446 25.118 7.901 1.00 0.00 O ATOM 0 H SER A 58 56.209 23.137 6.671 1.00 0.00 H new ATOM 0 HA SER A 58 57.878 22.377 9.057 1.00 0.00 H new ATOM 0 HB2 SER A 58 57.796 24.843 9.462 1.00 0.00 H new ATOM 0 HB3 SER A 58 58.438 24.513 7.865 1.00 0.00 H new ATOM 0 HG SER A 58 56.671 26.066 7.797 1.00 0.00 H new ATOM 851 N LYS A 59 55.250 21.665 9.328 1.00 0.00 N ATOM 852 CA LYS A 59 54.025 21.321 10.092 1.00 0.00 C ATOM 853 C LYS A 59 53.900 19.791 10.215 1.00 0.00 C ATOM 854 O LYS A 59 53.485 19.304 11.250 1.00 0.00 O ATOM 855 CB LYS A 59 52.828 21.929 9.350 1.00 0.00 C ATOM 856 CG LYS A 59 51.576 21.656 10.160 1.00 0.00 C ATOM 857 CD LYS A 59 50.356 22.275 9.452 1.00 0.00 C ATOM 858 CE LYS A 59 49.090 21.970 10.263 1.00 0.00 C ATOM 859 NZ LYS A 59 47.901 22.556 9.582 1.00 0.00 N ATOM 0 H LYS A 59 55.575 20.934 8.695 1.00 0.00 H new ATOM 0 HA LYS A 59 54.065 21.724 11.104 1.00 0.00 H new ATOM 0 HB2 LYS A 59 52.968 23.002 9.218 1.00 0.00 H new ATOM 0 HB3 LYS A 59 52.738 21.495 8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 59 51.434 20.582 10.278 1.00 0.00 H new ATOM 0 HG3 LYS A 59 51.680 22.075 11.161 1.00 0.00 H new ATOM 0 HD2 LYS A 59 50.487 23.352 9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 59 50.262 21.871 8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 59 48.966 20.892 10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 59 49.184 22.380 11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 47.046 22.347 10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 48.019 23.586 9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 47.808 22.145 8.631 1.00 0.00 H new ATOM 873 N CYS A 60 54.256 19.085 9.165 1.00 0.00 N ATOM 874 CA CYS A 60 54.187 17.587 9.160 1.00 0.00 C ATOM 875 C CYS A 60 54.749 16.966 10.458 1.00 0.00 C ATOM 876 O CYS A 60 54.061 16.114 10.995 1.00 0.00 O ATOM 877 CB CYS A 60 54.987 17.059 7.960 1.00 0.00 C ATOM 878 SG CYS A 60 54.429 17.406 6.276 1.00 0.00 S ATOM 879 OXT CYS A 60 55.833 17.380 10.838 1.00 0.00 O ATOM 0 H CYS A 60 54.598 19.493 8.295 1.00 0.00 H new ATOM 0 HA CYS A 60 53.137 17.302 9.090 1.00 0.00 H new ATOM 0 HB2 CYS A 60 56.002 17.447 8.051 1.00 0.00 H new ATOM 0 HB3 CYS A 60 55.049 15.976 8.064 1.00 0.00 H new