USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 785 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 98 LYS NZ :NH3+ 178:sc= 1.28 (180deg=0.389) USER MOD Set 1.2: A 101 GLN : amide:sc= 0.784 K(o=2.1,f=-2.1) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -13:sc= 1.03 USER MOD Single : A 35 MET CE :methyl 176:sc= 0 (180deg=-0.0407) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= 0.747 (180deg=-0.36) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 41:sc= 0.546 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -144:sc= 0.0248 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 65:sc= 0.0573 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -49:sc= 1.24 USER MOD Single : A 72 SER OG : rot -52:sc= 0.0394 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 155:sc= 1.93 (180deg=1.23) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -179:sc= 0.996 (180deg=0.996) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N GLY A 19 -3.096 13.900 0.196 1.00 0.00 N ATOM 106 CA GLY A 19 -4.304 13.327 0.804 1.00 0.00 C ATOM 107 C GLY A 19 -4.088 11.951 1.437 1.00 0.00 C ATOM 108 O GLY A 19 -3.006 11.366 1.360 1.00 0.00 O ATOM 0 HA2 GLY A 19 -4.675 14.012 1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.079 13.248 0.042 1.00 0.00 H new ATOM 112 N ASP A 20 -5.145 11.402 2.036 1.00 0.00 N ATOM 113 CA ASP A 20 -5.097 10.171 2.836 1.00 0.00 C ATOM 114 C ASP A 20 -6.241 9.186 2.526 1.00 0.00 C ATOM 115 O ASP A 20 -7.298 9.567 2.017 1.00 0.00 O ATOM 116 CB ASP A 20 -5.174 10.543 4.329 1.00 0.00 C ATOM 117 CG ASP A 20 -3.852 11.084 4.882 1.00 0.00 C ATOM 118 OD1 ASP A 20 -3.048 10.255 5.367 1.00 0.00 O ATOM 119 OD2 ASP A 20 -3.641 12.321 4.873 1.00 0.00 O ATOM 0 H ASP A 20 -6.080 11.807 1.979 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.162 9.672 2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.954 11.291 4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.468 9.663 4.902 1.00 0.00 H new ATOM 124 N ALA A 21 -6.024 7.920 2.903 1.00 0.00 N ATOM 125 CA ALA A 21 -6.960 6.801 2.781 1.00 0.00 C ATOM 126 C ALA A 21 -6.616 5.688 3.799 1.00 0.00 C ATOM 127 O ALA A 21 -6.249 4.564 3.448 1.00 0.00 O ATOM 128 CB ALA A 21 -6.963 6.328 1.323 1.00 0.00 C ATOM 0 H ALA A 21 -5.140 7.635 3.325 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.975 7.112 3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.656 5.494 1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.276 7.147 0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.960 6.006 1.043 1.00 0.00 H new ATOM 134 N ASN A 22 -6.709 6.035 5.090 1.00 0.00 N ATOM 135 CA ASN A 22 -6.619 5.133 6.251 1.00 0.00 C ATOM 136 C ASN A 22 -5.270 4.381 6.338 1.00 0.00 C ATOM 137 O ASN A 22 -4.329 4.873 6.963 1.00 0.00 O ATOM 138 CB ASN A 22 -7.850 4.201 6.298 1.00 0.00 C ATOM 139 CG ASN A 22 -9.159 4.978 6.430 1.00 0.00 C ATOM 140 OD1 ASN A 22 -9.879 5.190 5.461 1.00 0.00 O ATOM 141 ND2 ASN A 22 -9.498 5.436 7.624 1.00 0.00 N ATOM 0 H ASN A 22 -6.857 7.005 5.370 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.637 5.746 7.152 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.879 3.595 5.392 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.751 3.514 7.138 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.361 5.967 7.740 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.897 5.258 8.428 1.00 0.00 H new ATOM 148 N ILE A 23 -5.166 3.190 5.728 1.00 0.00 N ATOM 149 CA ILE A 23 -3.929 2.384 5.666 1.00 0.00 C ATOM 150 C ILE A 23 -2.891 3.013 4.722 1.00 0.00 C ATOM 151 O ILE A 23 -1.692 2.866 4.958 1.00 0.00 O ATOM 152 CB ILE A 23 -4.274 0.927 5.258 1.00 0.00 C ATOM 153 CG1 ILE A 23 -5.285 0.256 6.220 1.00 0.00 C ATOM 154 CG2 ILE A 23 -3.018 0.044 5.133 1.00 0.00 C ATOM 155 CD1 ILE A 23 -4.877 0.222 7.701 1.00 0.00 C ATOM 0 H ILE A 23 -5.953 2.748 5.253 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.473 2.365 6.656 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.744 1.010 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.238 0.778 6.137 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.452 -0.768 5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.310 -0.966 4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.355 0.460 4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.498 0.013 6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.657 -0.270 8.282 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.943 -0.329 7.808 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.741 1.241 8.064 1.00 0.00 H new ATOM 167 N PHE A 24 -3.330 3.730 3.680 1.00 0.00 N ATOM 168 CA PHE A 24 -2.458 4.384 2.713 1.00 0.00 C ATOM 169 C PHE A 24 -2.649 5.908 2.623 1.00 0.00 C ATOM 170 O PHE A 24 -3.571 6.486 3.200 1.00 0.00 O ATOM 171 CB PHE A 24 -2.589 3.654 1.373 1.00 0.00 C ATOM 172 CG PHE A 24 -3.911 3.751 0.639 1.00 0.00 C ATOM 173 CD1 PHE A 24 -5.019 2.979 1.036 1.00 0.00 C ATOM 174 CD2 PHE A 24 -4.011 4.569 -0.498 1.00 0.00 C ATOM 175 CE1 PHE A 24 -6.217 3.031 0.303 1.00 0.00 C ATOM 176 CE2 PHE A 24 -5.209 4.635 -1.225 1.00 0.00 C ATOM 177 CZ PHE A 24 -6.312 3.860 -0.829 1.00 0.00 C ATOM 0 H PHE A 24 -4.322 3.871 3.487 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.427 4.301 3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.810 4.030 0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.379 2.598 1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.948 2.344 1.907 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.159 5.152 -0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.064 2.435 0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.283 5.280 -2.088 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.232 3.901 -1.393 1.00 0.00 H new ATOM 187 N ARG A 25 -1.714 6.563 1.929 1.00 0.00 N ATOM 188 CA ARG A 25 -1.590 8.016 1.744 1.00 0.00 C ATOM 189 C ARG A 25 -1.409 8.262 0.245 1.00 0.00 C ATOM 190 O ARG A 25 -0.710 7.475 -0.388 1.00 0.00 O ATOM 191 CB ARG A 25 -0.318 8.550 2.443 1.00 0.00 C ATOM 192 CG ARG A 25 -0.283 8.687 3.976 1.00 0.00 C ATOM 193 CD ARG A 25 -0.654 7.429 4.772 1.00 0.00 C ATOM 194 NE ARG A 25 -0.033 7.409 6.109 1.00 0.00 N ATOM 195 CZ ARG A 25 -0.415 8.069 7.199 1.00 0.00 C ATOM 196 NH1 ARG A 25 -1.408 8.933 7.201 1.00 0.00 N ATOM 197 NH2 ARG A 25 0.219 7.862 8.333 1.00 0.00 N ATOM 0 H ARG A 25 -0.970 6.058 1.447 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.469 8.511 2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.507 7.898 2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.107 9.534 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.720 8.997 4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.962 9.489 4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.738 7.374 4.876 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.342 6.545 4.216 1.00 0.00 H new ATOM 0 HE ARG A 25 0.791 6.816 6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.922 9.121 6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.663 9.414 8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.995 7.201 8.370 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.065 8.363 9.175 1.00 0.00 H new ATOM 211 N VAL A 26 -1.960 9.343 -0.303 1.00 0.00 N ATOM 212 CA VAL A 26 -1.630 9.803 -1.671 1.00 0.00 C ATOM 213 C VAL A 26 -0.742 11.050 -1.633 1.00 0.00 C ATOM 214 O VAL A 26 -1.091 12.046 -1.002 1.00 0.00 O ATOM 215 CB VAL A 26 -2.885 10.005 -2.554 1.00 0.00 C ATOM 216 CG1 VAL A 26 -3.919 11.002 -2.007 1.00 0.00 C ATOM 217 CG2 VAL A 26 -2.497 10.416 -3.987 1.00 0.00 C ATOM 0 H VAL A 26 -2.644 9.928 0.176 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.059 9.006 -2.147 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.370 9.029 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.759 11.072 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.276 10.660 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.456 11.983 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.399 10.551 -4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.938 11.351 -3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.879 9.637 -4.434 1.00 0.00 H new ATOM 227 N ASP A 27 0.394 11.005 -2.334 1.00 0.00 N ATOM 228 CA ASP A 27 1.233 12.179 -2.591 1.00 0.00 C ATOM 229 C ASP A 27 0.838 12.809 -3.933 1.00 0.00 C ATOM 230 O ASP A 27 1.020 12.212 -4.997 1.00 0.00 O ATOM 231 CB ASP A 27 2.721 11.816 -2.577 1.00 0.00 C ATOM 232 CG ASP A 27 3.589 13.084 -2.607 1.00 0.00 C ATOM 233 OD1 ASP A 27 3.757 13.670 -3.703 1.00 0.00 O ATOM 234 OD2 ASP A 27 4.073 13.503 -1.527 1.00 0.00 O ATOM 0 H ASP A 27 0.761 10.145 -2.743 1.00 0.00 H new ATOM 0 HA ASP A 27 1.069 12.904 -1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.950 11.233 -1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.956 11.188 -3.437 1.00 0.00 H new ATOM 239 N LYS A 28 0.279 14.021 -3.869 1.00 0.00 N ATOM 240 CA LYS A 28 -0.305 14.712 -5.024 1.00 0.00 C ATOM 241 C LYS A 28 0.732 15.505 -5.856 1.00 0.00 C ATOM 242 O LYS A 28 0.508 15.753 -7.042 1.00 0.00 O ATOM 243 CB LYS A 28 -1.425 15.617 -4.469 1.00 0.00 C ATOM 244 CG LYS A 28 -2.379 16.230 -5.508 1.00 0.00 C ATOM 245 CD LYS A 28 -3.266 15.182 -6.198 1.00 0.00 C ATOM 246 CE LYS A 28 -4.298 15.880 -7.097 1.00 0.00 C ATOM 247 NZ LYS A 28 -5.233 14.910 -7.733 1.00 0.00 N ATOM 0 H LYS A 28 0.218 14.557 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.702 13.984 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.016 15.036 -3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.963 16.429 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.013 16.970 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.796 16.758 -6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.651 14.507 -6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.775 14.574 -5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.867 16.597 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.780 16.445 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.912 15.423 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.694 14.241 -8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.747 14.388 -6.995 1.00 0.00 H new ATOM 261 N ASP A 29 1.869 15.878 -5.260 1.00 0.00 N ATOM 262 CA ASP A 29 2.934 16.661 -5.905 1.00 0.00 C ATOM 263 C ASP A 29 3.815 15.794 -6.819 1.00 0.00 C ATOM 264 O ASP A 29 4.051 16.147 -7.976 1.00 0.00 O ATOM 265 CB ASP A 29 3.811 17.333 -4.836 1.00 0.00 C ATOM 266 CG ASP A 29 3.075 18.449 -4.079 1.00 0.00 C ATOM 267 OD1 ASP A 29 2.904 19.549 -4.657 1.00 0.00 O ATOM 268 OD2 ASP A 29 2.712 18.235 -2.897 1.00 0.00 O ATOM 0 H ASP A 29 2.082 15.639 -4.292 1.00 0.00 H new ATOM 0 HA ASP A 29 2.452 17.418 -6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.150 16.580 -4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.701 17.747 -5.310 1.00 0.00 H new ATOM 273 N SER A 30 4.289 14.653 -6.314 1.00 0.00 N ATOM 274 CA SER A 30 5.147 13.709 -7.051 1.00 0.00 C ATOM 275 C SER A 30 4.369 12.525 -7.663 1.00 0.00 C ATOM 276 O SER A 30 4.960 11.722 -8.391 1.00 0.00 O ATOM 277 CB SER A 30 6.261 13.193 -6.122 1.00 0.00 C ATOM 278 OG SER A 30 7.151 14.238 -5.738 1.00 0.00 O ATOM 0 H SER A 30 4.086 14.349 -5.362 1.00 0.00 H new ATOM 0 HA SER A 30 5.577 14.256 -7.890 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.816 12.748 -5.232 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.820 12.405 -6.627 1.00 0.00 H new ATOM 0 HG SER A 30 7.845 13.877 -5.148 1.00 0.00 H new ATOM 284 N ARG A 31 3.059 12.410 -7.380 1.00 0.00 N ATOM 285 CA ARG A 31 2.130 11.404 -7.926 1.00 0.00 C ATOM 286 C ARG A 31 2.492 9.988 -7.432 1.00 0.00 C ATOM 287 O ARG A 31 2.883 9.112 -8.208 1.00 0.00 O ATOM 288 CB ARG A 31 2.038 11.542 -9.460 1.00 0.00 C ATOM 289 CG ARG A 31 0.797 10.845 -10.042 1.00 0.00 C ATOM 290 CD ARG A 31 0.733 10.972 -11.568 1.00 0.00 C ATOM 291 NE ARG A 31 0.533 12.370 -12.001 1.00 0.00 N ATOM 292 CZ ARG A 31 1.402 13.166 -12.621 1.00 0.00 C ATOM 293 NH1 ARG A 31 2.621 12.777 -12.935 1.00 0.00 N ATOM 294 NH2 ARG A 31 1.046 14.391 -12.937 1.00 0.00 N ATOM 0 H ARG A 31 2.597 13.048 -6.732 1.00 0.00 H new ATOM 0 HA ARG A 31 1.124 11.586 -7.547 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.015 12.599 -9.725 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.934 11.119 -9.914 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.810 9.791 -9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.102 11.279 -9.604 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.655 10.587 -12.002 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.081 10.355 -11.949 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.382 12.775 -11.801 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.931 11.833 -12.703 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.255 13.420 -13.410 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.110 14.725 -12.707 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.706 15.007 -13.412 1.00 0.00 H new ATOM 308 N GLU A 32 2.403 9.782 -6.116 1.00 0.00 N ATOM 309 CA GLU A 32 2.876 8.569 -5.417 1.00 0.00 C ATOM 310 C GLU A 32 1.811 8.045 -4.430 1.00 0.00 C ATOM 311 O GLU A 32 0.837 8.747 -4.157 1.00 0.00 O ATOM 312 CB GLU A 32 4.202 8.848 -4.675 1.00 0.00 C ATOM 313 CG GLU A 32 5.235 9.654 -5.478 1.00 0.00 C ATOM 314 CD GLU A 32 6.579 9.821 -4.744 1.00 0.00 C ATOM 315 OE1 GLU A 32 6.592 10.205 -3.550 1.00 0.00 O ATOM 316 OE2 GLU A 32 7.643 9.625 -5.377 1.00 0.00 O ATOM 0 H GLU A 32 1.990 10.468 -5.484 1.00 0.00 H new ATOM 0 HA GLU A 32 3.052 7.800 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.980 9.386 -3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.649 7.896 -4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.409 9.159 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.825 10.639 -5.700 1.00 0.00 H new ATOM 323 N VAL A 33 1.989 6.836 -3.876 1.00 0.00 N ATOM 324 CA VAL A 33 1.030 6.214 -2.939 1.00 0.00 C ATOM 325 C VAL A 33 1.762 5.363 -1.886 1.00 0.00 C ATOM 326 O VAL A 33 2.476 4.419 -2.209 1.00 0.00 O ATOM 327 CB VAL A 33 -0.109 5.458 -3.689 1.00 0.00 C ATOM 328 CG1 VAL A 33 0.376 4.253 -4.519 1.00 0.00 C ATOM 329 CG2 VAL A 33 -1.236 5.033 -2.743 1.00 0.00 C ATOM 0 H VAL A 33 2.806 6.256 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 33 0.524 7.006 -2.386 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.501 6.186 -4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.476 3.782 -5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.086 4.593 -5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.862 3.531 -3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.008 4.510 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.836 4.370 -1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.667 5.916 -2.271 1.00 0.00 H new ATOM 339 N TYR A 34 1.638 5.727 -0.609 1.00 0.00 N ATOM 340 CA TYR A 34 2.420 5.148 0.494 1.00 0.00 C ATOM 341 C TYR A 34 1.517 4.318 1.404 1.00 0.00 C ATOM 342 O TYR A 34 0.564 4.856 1.963 1.00 0.00 O ATOM 343 CB TYR A 34 3.091 6.259 1.321 1.00 0.00 C ATOM 344 CG TYR A 34 4.234 7.005 0.661 1.00 0.00 C ATOM 345 CD1 TYR A 34 3.990 7.890 -0.407 1.00 0.00 C ATOM 346 CD2 TYR A 34 5.542 6.874 1.172 1.00 0.00 C ATOM 347 CE1 TYR A 34 5.050 8.608 -0.986 1.00 0.00 C ATOM 348 CE2 TYR A 34 6.604 7.598 0.601 1.00 0.00 C ATOM 349 CZ TYR A 34 6.366 8.452 -0.499 1.00 0.00 C ATOM 350 OH TYR A 34 7.396 9.126 -1.078 1.00 0.00 O ATOM 0 H TYR A 34 0.981 6.445 -0.303 1.00 0.00 H new ATOM 0 HA TYR A 34 3.190 4.507 0.064 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.327 6.985 1.599 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.462 5.817 2.246 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.985 8.017 -0.782 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.729 6.214 2.006 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.857 9.282 -1.807 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.602 7.501 1.003 1.00 0.00 H new ATOM 0 HH TYR A 34 7.099 9.509 -1.930 1.00 0.00 H new ATOM 360 N MET A 35 1.824 3.032 1.587 1.00 0.00 N ATOM 361 CA MET A 35 1.097 2.137 2.480 1.00 0.00 C ATOM 362 C MET A 35 1.797 2.110 3.843 1.00 0.00 C ATOM 363 O MET A 35 3.015 2.279 3.915 1.00 0.00 O ATOM 364 CB MET A 35 1.030 0.725 1.866 1.00 0.00 C ATOM 365 CG MET A 35 0.750 0.667 0.353 1.00 0.00 C ATOM 366 SD MET A 35 -0.392 1.876 -0.358 1.00 0.00 S ATOM 367 CE MET A 35 -0.259 1.411 -2.098 1.00 0.00 C ATOM 0 H MET A 35 2.601 2.578 1.107 1.00 0.00 H new ATOM 0 HA MET A 35 0.077 2.495 2.616 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.975 0.219 2.062 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.253 0.161 2.382 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.704 0.767 -0.165 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.366 -0.327 0.124 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.954 2.008 -2.688 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.759 1.590 -2.446 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.501 0.354 -2.212 1.00 0.00 H new ATOM 377 N HIS A 36 1.071 1.825 4.924 1.00 0.00 N ATOM 378 CA HIS A 36 1.649 1.658 6.268 1.00 0.00 C ATOM 379 C HIS A 36 2.811 0.630 6.326 1.00 0.00 C ATOM 380 O HIS A 36 3.694 0.726 7.182 1.00 0.00 O ATOM 381 CB HIS A 36 0.504 1.281 7.220 1.00 0.00 C ATOM 382 CG HIS A 36 0.934 1.157 8.657 1.00 0.00 C ATOM 383 ND1 HIS A 36 1.318 2.220 9.479 1.00 0.00 N ATOM 384 CD2 HIS A 36 1.026 -0.006 9.363 1.00 0.00 C ATOM 385 CE1 HIS A 36 1.631 1.665 10.663 1.00 0.00 C ATOM 386 NE2 HIS A 36 1.465 0.331 10.624 1.00 0.00 N ATOM 0 H HIS A 36 0.059 1.702 4.897 1.00 0.00 H new ATOM 0 HA HIS A 36 2.110 2.598 6.571 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.281 2.034 7.148 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.069 0.335 6.896 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.799 -0.999 9.003 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.970 2.216 11.528 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.634 -0.317 11.393 1.00 0.00 H new ATOM 394 N GLU A 37 2.836 -0.323 5.387 1.00 0.00 N ATOM 395 CA GLU A 37 3.867 -1.355 5.233 1.00 0.00 C ATOM 396 C GLU A 37 5.103 -0.858 4.454 1.00 0.00 C ATOM 397 O GLU A 37 6.211 -1.341 4.704 1.00 0.00 O ATOM 398 CB GLU A 37 3.269 -2.573 4.495 1.00 0.00 C ATOM 399 CG GLU A 37 2.152 -3.310 5.258 1.00 0.00 C ATOM 400 CD GLU A 37 0.866 -2.487 5.453 1.00 0.00 C ATOM 401 OE1 GLU A 37 0.464 -1.748 4.521 1.00 0.00 O ATOM 402 OE2 GLU A 37 0.266 -2.570 6.551 1.00 0.00 O ATOM 0 H GLU A 37 2.104 -0.399 4.681 1.00 0.00 H new ATOM 0 HA GLU A 37 4.197 -1.626 6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.874 -2.240 3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.071 -3.280 4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.905 -4.226 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.531 -3.606 6.236 1.00 0.00 H new ATOM 409 N LYS A 38 4.928 0.078 3.501 1.00 0.00 N ATOM 410 CA LYS A 38 5.927 0.452 2.477 1.00 0.00 C ATOM 411 C LYS A 38 5.487 1.559 1.497 1.00 0.00 C ATOM 412 O LYS A 38 4.314 1.677 1.152 1.00 0.00 O ATOM 413 CB LYS A 38 6.432 -0.806 1.717 1.00 0.00 C ATOM 414 CG LYS A 38 5.397 -1.819 1.186 1.00 0.00 C ATOM 415 CD LYS A 38 4.819 -1.529 -0.206 1.00 0.00 C ATOM 416 CE LYS A 38 5.702 -2.098 -1.333 1.00 0.00 C ATOM 417 NZ LYS A 38 6.902 -1.260 -1.651 1.00 0.00 N ATOM 0 H LYS A 38 4.062 0.611 3.419 1.00 0.00 H new ATOM 0 HA LYS A 38 6.750 0.898 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.024 -0.463 0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.109 -1.343 2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.861 -2.805 1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.572 -1.870 1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.819 -1.957 -0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.715 -0.452 -0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.034 -3.097 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.098 -2.206 -2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.137 -1.359 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.695 -0.263 -1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.708 -1.576 -1.075 1.00 0.00 H new ATOM 431 N LYS A 39 6.450 2.311 0.940 1.00 0.00 N ATOM 432 CA LYS A 39 6.211 3.295 -0.127 1.00 0.00 C ATOM 433 C LYS A 39 5.926 2.640 -1.497 1.00 0.00 C ATOM 434 O LYS A 39 6.487 1.579 -1.781 1.00 0.00 O ATOM 435 CB LYS A 39 7.423 4.248 -0.172 1.00 0.00 C ATOM 436 CG LYS A 39 8.802 3.607 -0.433 1.00 0.00 C ATOM 437 CD LYS A 39 9.849 4.606 -0.963 1.00 0.00 C ATOM 438 CE LYS A 39 10.052 5.880 -0.119 1.00 0.00 C ATOM 439 NZ LYS A 39 10.648 5.618 1.225 1.00 0.00 N ATOM 0 H LYS A 39 7.428 2.252 1.222 1.00 0.00 H new ATOM 0 HA LYS A 39 5.306 3.858 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.242 4.992 -0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.471 4.782 0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.169 3.163 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.688 2.796 -1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.806 4.091 -1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.561 4.904 -1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.697 6.569 -0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.091 6.377 0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.757 6.516 1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.024 4.985 1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.580 5.170 1.110 1.00 0.00 H new ATOM 453 N LEU A 40 5.103 3.260 -2.353 1.00 0.00 N ATOM 454 CA LEU A 40 5.022 2.996 -3.800 1.00 0.00 C ATOM 455 C LEU A 40 4.842 4.309 -4.574 1.00 0.00 C ATOM 456 O LEU A 40 4.359 5.316 -4.059 1.00 0.00 O ATOM 457 CB LEU A 40 3.884 1.997 -4.136 1.00 0.00 C ATOM 458 CG LEU A 40 4.197 0.540 -3.756 1.00 0.00 C ATOM 459 CD1 LEU A 40 2.988 -0.377 -3.957 1.00 0.00 C ATOM 460 CD2 LEU A 40 5.369 -0.025 -4.578 1.00 0.00 C ATOM 0 H LEU A 40 4.452 3.984 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 40 5.961 2.535 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.976 2.309 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.675 2.046 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 40 4.465 0.562 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.254 -1.396 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.163 -0.033 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.685 -0.356 -5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.559 -1.056 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.118 0.006 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.261 0.575 -4.399 1.00 0.00 H new ATOM 472 N ASP A 41 5.234 4.286 -5.841 1.00 0.00 N ATOM 473 CA ASP A 41 5.459 5.494 -6.644 1.00 0.00 C ATOM 474 C ASP A 41 5.541 5.161 -8.141 1.00 0.00 C ATOM 475 O ASP A 41 6.554 5.386 -8.802 1.00 0.00 O ATOM 476 CB ASP A 41 6.653 6.316 -6.104 1.00 0.00 C ATOM 477 CG ASP A 41 8.016 5.598 -6.081 1.00 0.00 C ATOM 478 OD1 ASP A 41 8.172 4.606 -5.328 1.00 0.00 O ATOM 479 OD2 ASP A 41 8.948 6.076 -6.773 1.00 0.00 O ATOM 0 H ASP A 41 5.408 3.420 -6.352 1.00 0.00 H new ATOM 0 HA ASP A 41 4.594 6.149 -6.543 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.750 7.217 -6.709 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.417 6.637 -5.089 1.00 0.00 H new ATOM 484 N LEU A 42 4.459 4.570 -8.661 1.00 0.00 N ATOM 485 CA LEU A 42 4.319 4.193 -10.071 1.00 0.00 C ATOM 486 C LEU A 42 3.789 5.400 -10.896 1.00 0.00 C ATOM 487 O LEU A 42 4.397 6.474 -10.858 1.00 0.00 O ATOM 488 CB LEU A 42 3.493 2.880 -10.137 1.00 0.00 C ATOM 489 CG LEU A 42 3.930 1.857 -11.216 1.00 0.00 C ATOM 490 CD1 LEU A 42 4.283 2.465 -12.580 1.00 0.00 C ATOM 491 CD2 LEU A 42 5.097 1.024 -10.684 1.00 0.00 C ATOM 0 H LEU A 42 3.639 4.336 -8.101 1.00 0.00 H new ATOM 0 HA LEU A 42 5.272 3.963 -10.547 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.542 2.394 -9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.449 3.139 -10.312 1.00 0.00 H new ATOM 0 HG LEU A 42 3.059 1.230 -11.406 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.576 1.671 -13.267 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.415 2.989 -12.980 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.109 3.167 -12.463 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.405 0.304 -11.442 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.934 1.681 -10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.785 0.493 -9.785 1.00 0.00 H new ATOM 503 N THR A 43 2.664 5.244 -11.614 1.00 0.00 N ATOM 504 CA THR A 43 1.996 6.267 -12.453 1.00 0.00 C ATOM 505 C THR A 43 0.481 6.198 -12.200 1.00 0.00 C ATOM 506 O THR A 43 0.031 5.318 -11.471 1.00 0.00 O ATOM 507 CB THR A 43 2.417 6.080 -13.929 1.00 0.00 C ATOM 508 OG1 THR A 43 3.830 6.127 -14.001 1.00 0.00 O ATOM 509 CG2 THR A 43 1.903 7.153 -14.895 1.00 0.00 C ATOM 0 H THR A 43 2.165 4.354 -11.629 1.00 0.00 H new ATOM 0 HA THR A 43 2.306 7.278 -12.189 1.00 0.00 H new ATOM 0 HB THR A 43 1.982 5.128 -14.234 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.114 6.008 -14.931 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.252 6.932 -15.904 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.813 7.162 -14.882 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.278 8.129 -14.587 1.00 0.00 H new ATOM 517 N ARG A 44 -0.318 7.143 -12.714 1.00 0.00 N ATOM 518 CA ARG A 44 -1.695 7.408 -12.247 1.00 0.00 C ATOM 519 C ARG A 44 -2.627 6.184 -12.240 1.00 0.00 C ATOM 520 O ARG A 44 -3.378 5.998 -11.285 1.00 0.00 O ATOM 521 CB ARG A 44 -2.305 8.560 -13.078 1.00 0.00 C ATOM 522 CG ARG A 44 -3.496 9.265 -12.393 1.00 0.00 C ATOM 523 CD ARG A 44 -4.888 8.689 -12.709 1.00 0.00 C ATOM 524 NE ARG A 44 -5.276 8.918 -14.115 1.00 0.00 N ATOM 525 CZ ARG A 44 -5.831 10.017 -14.621 1.00 0.00 C ATOM 526 NH1 ARG A 44 -6.092 11.077 -13.881 1.00 0.00 N ATOM 527 NH2 ARG A 44 -6.136 10.066 -15.899 1.00 0.00 N ATOM 0 H ARG A 44 -0.027 7.755 -13.476 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.610 7.692 -11.198 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.529 9.297 -13.283 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.633 8.166 -14.040 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.344 9.227 -11.314 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.485 10.317 -12.680 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.893 7.619 -12.501 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.627 9.145 -12.050 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.100 8.154 -14.767 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.868 11.072 -12.886 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.518 11.902 -14.304 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.947 9.263 -16.499 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.561 10.907 -16.290 1.00 0.00 H new ATOM 541 N ALA A 45 -2.605 5.344 -13.276 1.00 0.00 N ATOM 542 CA ALA A 45 -3.534 4.217 -13.405 1.00 0.00 C ATOM 543 C ALA A 45 -3.109 3.040 -12.504 1.00 0.00 C ATOM 544 O ALA A 45 -3.952 2.376 -11.898 1.00 0.00 O ATOM 545 CB ALA A 45 -3.603 3.860 -14.895 1.00 0.00 C ATOM 0 H ALA A 45 -1.944 5.424 -14.049 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.534 4.480 -13.059 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.286 3.023 -15.037 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.962 4.721 -15.459 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.610 3.583 -15.249 1.00 0.00 H new ATOM 551 N GLU A 46 -1.798 2.849 -12.351 1.00 0.00 N ATOM 552 CA GLU A 46 -1.143 1.913 -11.453 1.00 0.00 C ATOM 553 C GLU A 46 -1.374 2.306 -9.978 1.00 0.00 C ATOM 554 O GLU A 46 -1.649 1.482 -9.106 1.00 0.00 O ATOM 555 CB GLU A 46 0.345 1.920 -11.807 1.00 0.00 C ATOM 556 CG GLU A 46 0.645 1.544 -13.277 1.00 0.00 C ATOM 557 CD GLU A 46 0.777 2.720 -14.269 1.00 0.00 C ATOM 558 OE1 GLU A 46 0.015 3.710 -14.171 1.00 0.00 O ATOM 559 OE2 GLU A 46 1.622 2.626 -15.188 1.00 0.00 O ATOM 0 H GLU A 46 -1.122 3.386 -12.894 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.556 0.911 -11.571 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.751 2.912 -11.607 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.867 1.223 -11.151 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.571 0.970 -13.301 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.148 0.885 -13.631 1.00 0.00 H new ATOM 566 N TYR A 47 -1.361 3.608 -9.709 1.00 0.00 N ATOM 567 CA TYR A 47 -1.848 4.172 -8.447 1.00 0.00 C ATOM 568 C TYR A 47 -3.334 3.864 -8.239 1.00 0.00 C ATOM 569 O TYR A 47 -3.687 3.386 -7.161 1.00 0.00 O ATOM 570 CB TYR A 47 -1.532 5.681 -8.368 1.00 0.00 C ATOM 571 CG TYR A 47 -2.467 6.528 -7.507 1.00 0.00 C ATOM 572 CD1 TYR A 47 -2.833 6.125 -6.207 1.00 0.00 C ATOM 573 CD2 TYR A 47 -3.009 7.717 -8.034 1.00 0.00 C ATOM 574 CE1 TYR A 47 -3.744 6.884 -5.449 1.00 0.00 C ATOM 575 CE2 TYR A 47 -3.937 8.474 -7.292 1.00 0.00 C ATOM 576 CZ TYR A 47 -4.319 8.050 -5.999 1.00 0.00 C ATOM 577 OH TYR A 47 -5.251 8.744 -5.285 1.00 0.00 O ATOM 0 H TYR A 47 -1.011 4.309 -10.362 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.319 3.693 -7.623 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.518 5.798 -7.987 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.541 6.085 -9.380 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.410 5.224 -5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.710 8.051 -9.016 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.003 6.575 -4.447 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.356 9.377 -7.711 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.547 9.521 -5.803 1.00 0.00 H new ATOM 587 N GLU A 48 -4.194 4.078 -9.241 1.00 0.00 N ATOM 588 CA GLU A 48 -5.625 3.794 -9.104 1.00 0.00 C ATOM 589 C GLU A 48 -5.886 2.333 -8.709 1.00 0.00 C ATOM 590 O GLU A 48 -6.666 2.086 -7.787 1.00 0.00 O ATOM 591 CB GLU A 48 -6.402 4.115 -10.390 1.00 0.00 C ATOM 592 CG GLU A 48 -7.851 4.485 -10.065 1.00 0.00 C ATOM 593 CD GLU A 48 -7.973 5.943 -9.591 1.00 0.00 C ATOM 594 OE1 GLU A 48 -7.934 6.863 -10.443 1.00 0.00 O ATOM 595 OE2 GLU A 48 -8.130 6.181 -8.370 1.00 0.00 O ATOM 0 H GLU A 48 -3.924 4.446 -10.153 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.982 4.445 -8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.920 4.939 -10.917 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.382 3.254 -11.058 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.472 4.336 -10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.232 3.818 -9.292 1.00 0.00 H new ATOM 602 N ILE A 49 -5.211 1.362 -9.345 1.00 0.00 N ATOM 603 CA ILE A 49 -5.358 -0.046 -8.969 1.00 0.00 C ATOM 604 C ILE A 49 -4.837 -0.299 -7.556 1.00 0.00 C ATOM 605 O ILE A 49 -5.527 -0.979 -6.804 1.00 0.00 O ATOM 606 CB ILE A 49 -4.729 -1.003 -10.005 1.00 0.00 C ATOM 607 CG1 ILE A 49 -3.256 -0.699 -10.292 1.00 0.00 C ATOM 608 CG2 ILE A 49 -5.593 -1.052 -11.265 1.00 0.00 C ATOM 609 CD1 ILE A 49 -2.469 -1.698 -11.136 1.00 0.00 C ATOM 0 H ILE A 49 -4.564 1.528 -10.116 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.425 -0.267 -8.966 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.716 -2.003 -9.571 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.206 0.270 -10.788 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.744 -0.594 -9.335 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.141 -1.729 -11.990 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.591 -1.408 -11.008 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.664 -0.054 -11.697 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.444 -1.347 -11.253 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.466 -2.669 -10.641 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.935 -1.792 -12.117 1.00 0.00 H new ATOM 621 N LEU A 50 -3.671 0.237 -7.155 1.00 0.00 N ATOM 622 CA LEU A 50 -3.167 -0.017 -5.795 1.00 0.00 C ATOM 623 C LEU A 50 -4.032 0.636 -4.714 1.00 0.00 C ATOM 624 O LEU A 50 -4.313 0.010 -3.697 1.00 0.00 O ATOM 625 CB LEU A 50 -1.734 0.509 -5.673 1.00 0.00 C ATOM 626 CG LEU A 50 -0.720 -0.549 -6.108 1.00 0.00 C ATOM 627 CD1 LEU A 50 0.582 0.160 -6.497 1.00 0.00 C ATOM 628 CD2 LEU A 50 -0.468 -1.594 -5.010 1.00 0.00 C ATOM 0 H LEU A 50 -3.076 0.831 -7.733 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.199 -1.095 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.618 1.402 -6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.538 0.803 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.122 -1.093 -6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.319 -0.579 -6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.389 0.851 -7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.965 0.713 -5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.259 -2.325 -5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.081 -1.100 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.403 -2.100 -4.767 1.00 0.00 H new ATOM 640 N SER A 51 -4.461 1.875 -4.933 1.00 0.00 N ATOM 641 CA SER A 51 -5.476 2.564 -4.131 1.00 0.00 C ATOM 642 C SER A 51 -6.710 1.680 -3.908 1.00 0.00 C ATOM 643 O SER A 51 -7.063 1.389 -2.760 1.00 0.00 O ATOM 644 CB SER A 51 -5.862 3.873 -4.835 1.00 0.00 C ATOM 645 OG SER A 51 -6.871 4.581 -4.130 1.00 0.00 O ATOM 0 H SER A 51 -4.103 2.448 -5.697 1.00 0.00 H new ATOM 0 HA SER A 51 -5.061 2.786 -3.148 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.979 4.504 -4.935 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.212 3.652 -5.843 1.00 0.00 H new ATOM 0 HG SER A 51 -6.690 4.537 -3.168 1.00 0.00 H new ATOM 651 N LEU A 52 -7.327 1.170 -4.984 1.00 0.00 N ATOM 652 CA LEU A 52 -8.466 0.270 -4.870 1.00 0.00 C ATOM 653 C LEU A 52 -8.093 -1.044 -4.169 1.00 0.00 C ATOM 654 O LEU A 52 -8.892 -1.535 -3.377 1.00 0.00 O ATOM 655 CB LEU A 52 -9.066 0.028 -6.270 1.00 0.00 C ATOM 656 CG LEU A 52 -10.560 0.376 -6.423 1.00 0.00 C ATOM 657 CD1 LEU A 52 -11.466 -0.423 -5.473 1.00 0.00 C ATOM 658 CD2 LEU A 52 -10.806 1.884 -6.248 1.00 0.00 C ATOM 0 H LEU A 52 -7.049 1.372 -5.944 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.222 0.739 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.499 0.612 -6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.927 -1.022 -6.529 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.829 0.089 -7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.505 -0.132 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.354 -1.489 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.183 -0.216 -4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.869 2.095 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.479 2.193 -5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.244 2.434 -7.003 1.00 0.00 H new ATOM 670 N LEU A 53 -6.892 -1.592 -4.401 1.00 0.00 N ATOM 671 CA LEU A 53 -6.442 -2.852 -3.797 1.00 0.00 C ATOM 672 C LEU A 53 -6.290 -2.725 -2.282 1.00 0.00 C ATOM 673 O LEU A 53 -6.898 -3.492 -1.539 1.00 0.00 O ATOM 674 CB LEU A 53 -5.119 -3.302 -4.439 1.00 0.00 C ATOM 675 CG LEU A 53 -4.777 -4.781 -4.168 1.00 0.00 C ATOM 676 CD1 LEU A 53 -5.719 -5.714 -4.950 1.00 0.00 C ATOM 677 CD2 LEU A 53 -3.305 -5.025 -4.469 1.00 0.00 C ATOM 0 H LEU A 53 -6.200 -1.168 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.204 -3.608 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.173 -3.141 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.310 -2.675 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.936 -5.011 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.458 -6.752 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.749 -5.531 -4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.618 -5.521 -6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.063 -6.070 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.104 -4.792 -5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.693 -4.388 -3.831 1.00 0.00 H new ATOM 689 N ILE A 54 -5.499 -1.758 -1.807 1.00 0.00 N ATOM 690 CA ILE A 54 -5.356 -1.532 -0.355 1.00 0.00 C ATOM 691 C ILE A 54 -6.681 -1.083 0.296 1.00 0.00 C ATOM 692 O ILE A 54 -6.959 -1.471 1.431 1.00 0.00 O ATOM 693 CB ILE A 54 -4.195 -0.550 -0.066 1.00 0.00 C ATOM 694 CG1 ILE A 54 -2.860 -0.962 -0.732 1.00 0.00 C ATOM 695 CG2 ILE A 54 -3.974 -0.380 1.450 1.00 0.00 C ATOM 696 CD1 ILE A 54 -2.293 -2.326 -0.328 1.00 0.00 C ATOM 0 H ILE A 54 -4.953 -1.125 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.102 -2.486 0.108 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.502 0.399 -0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.001 -0.957 -1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.114 -0.200 -0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.152 0.315 1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.882 0.011 1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.731 -1.346 1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.358 -2.503 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.109 -2.340 0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.009 -3.108 -0.583 1.00 0.00 H new ATOM 708 N SER A 55 -7.536 -0.336 -0.409 1.00 0.00 N ATOM 709 CA SER A 55 -8.870 0.027 0.093 1.00 0.00 C ATOM 710 C SER A 55 -9.809 -1.189 0.259 1.00 0.00 C ATOM 711 O SER A 55 -10.452 -1.334 1.305 1.00 0.00 O ATOM 712 CB SER A 55 -9.510 1.070 -0.836 1.00 0.00 C ATOM 713 OG SER A 55 -10.736 1.553 -0.298 1.00 0.00 O ATOM 0 H SER A 55 -7.328 0.033 -1.337 1.00 0.00 H new ATOM 0 HA SER A 55 -8.731 0.448 1.089 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.821 1.902 -0.983 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.689 0.627 -1.816 1.00 0.00 H new ATOM 0 HG SER A 55 -11.122 2.216 -0.908 1.00 0.00 H new ATOM 719 N LYS A 56 -9.896 -2.079 -0.743 1.00 0.00 N ATOM 720 CA LYS A 56 -10.849 -3.202 -0.743 1.00 0.00 C ATOM 721 C LYS A 56 -10.363 -4.418 0.072 1.00 0.00 C ATOM 722 O LYS A 56 -11.180 -5.032 0.762 1.00 0.00 O ATOM 723 CB LYS A 56 -11.249 -3.545 -2.197 1.00 0.00 C ATOM 724 CG LYS A 56 -10.267 -4.425 -2.996 1.00 0.00 C ATOM 725 CD LYS A 56 -10.522 -4.287 -4.509 1.00 0.00 C ATOM 726 CE LYS A 56 -9.772 -5.322 -5.366 1.00 0.00 C ATOM 727 NZ LYS A 56 -10.518 -6.610 -5.466 1.00 0.00 N ATOM 0 H LYS A 56 -9.308 -2.041 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.749 -2.885 -0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.216 -4.048 -2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.389 -2.611 -2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.242 -4.135 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.378 -5.467 -2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.592 -4.381 -4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.229 -3.286 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.611 -4.917 -6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.788 -5.505 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.844 -7.402 -5.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.156 -6.706 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.075 -6.621 -6.344 1.00 0.00 H new ATOM 741 N LYS A 57 -9.054 -4.712 -0.012 1.00 0.00 N ATOM 742 CA LYS A 57 -8.192 -5.733 0.634 1.00 0.00 C ATOM 743 C LYS A 57 -7.223 -6.390 -0.369 1.00 0.00 C ATOM 744 O LYS A 57 -7.484 -6.422 -1.574 1.00 0.00 O ATOM 745 CB LYS A 57 -8.930 -6.768 1.508 1.00 0.00 C ATOM 746 CG LYS A 57 -9.763 -7.814 0.737 1.00 0.00 C ATOM 747 CD LYS A 57 -10.705 -8.556 1.701 1.00 0.00 C ATOM 748 CE LYS A 57 -11.697 -9.492 0.989 1.00 0.00 C ATOM 749 NZ LYS A 57 -11.054 -10.721 0.444 1.00 0.00 N ATOM 0 H LYS A 57 -8.479 -4.147 -0.637 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.597 -5.168 1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.195 -7.293 2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.591 -6.235 2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.343 -7.324 -0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.101 -8.526 0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.108 -9.138 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.263 -7.825 2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.482 -9.780 1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.179 -8.950 0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.772 -11.311 -0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.323 -10.454 -0.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.617 -11.258 1.220 1.00 0.00 H new ATOM 763 N GLY A 58 -6.105 -6.922 0.148 1.00 0.00 N ATOM 764 CA GLY A 58 -4.908 -7.268 -0.632 1.00 0.00 C ATOM 765 C GLY A 58 -5.159 -8.242 -1.782 1.00 0.00 C ATOM 766 O GLY A 58 -4.768 -7.940 -2.905 1.00 0.00 O ATOM 0 H GLY A 58 -6.006 -7.128 1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.476 -6.352 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.166 -7.701 0.039 1.00 0.00 H new ATOM 770 N TYR A 59 -5.842 -9.368 -1.526 1.00 0.00 N ATOM 771 CA TYR A 59 -6.445 -10.233 -2.544 1.00 0.00 C ATOM 772 C TYR A 59 -5.385 -10.759 -3.534 1.00 0.00 C ATOM 773 O TYR A 59 -4.202 -10.855 -3.206 1.00 0.00 O ATOM 774 CB TYR A 59 -7.635 -9.449 -3.149 1.00 0.00 C ATOM 775 CG TYR A 59 -8.567 -10.216 -4.069 1.00 0.00 C ATOM 776 CD1 TYR A 59 -9.253 -11.353 -3.601 1.00 0.00 C ATOM 777 CD2 TYR A 59 -8.710 -9.818 -5.414 1.00 0.00 C ATOM 778 CE1 TYR A 59 -10.078 -12.094 -4.470 1.00 0.00 C ATOM 779 CE2 TYR A 59 -9.530 -10.557 -6.289 1.00 0.00 C ATOM 780 CZ TYR A 59 -10.219 -11.698 -5.820 1.00 0.00 C ATOM 781 OH TYR A 59 -11.006 -12.415 -6.671 1.00 0.00 O ATOM 0 H TYR A 59 -5.993 -9.709 -0.577 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.848 -11.157 -2.131 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.227 -9.044 -2.328 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.235 -8.600 -3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.146 -11.659 -2.571 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.189 -8.943 -5.775 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.603 -12.965 -4.105 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.632 -10.251 -7.320 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.989 -12.001 -7.559 1.00 0.00 H new ATOM 791 N VAL A 60 -5.800 -11.118 -4.744 1.00 0.00 N ATOM 792 CA VAL A 60 -4.906 -11.350 -5.882 1.00 0.00 C ATOM 793 C VAL A 60 -5.185 -10.294 -6.958 1.00 0.00 C ATOM 794 O VAL A 60 -6.292 -10.184 -7.479 1.00 0.00 O ATOM 795 CB VAL A 60 -5.042 -12.786 -6.416 1.00 0.00 C ATOM 796 CG1 VAL A 60 -4.062 -13.041 -7.568 1.00 0.00 C ATOM 797 CG2 VAL A 60 -4.758 -13.829 -5.319 1.00 0.00 C ATOM 0 H VAL A 60 -6.785 -11.260 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.869 -11.248 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.070 -12.888 -6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.180 -14.064 -7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.268 -12.346 -8.382 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.041 -12.895 -7.216 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.864 -14.831 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.743 -13.696 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.466 -13.698 -4.501 1.00 0.00 H new ATOM 807 N PHE A 61 -4.153 -9.503 -7.255 1.00 0.00 N ATOM 808 CA PHE A 61 -4.098 -8.468 -8.283 1.00 0.00 C ATOM 809 C PHE A 61 -4.000 -9.171 -9.654 1.00 0.00 C ATOM 810 O PHE A 61 -2.983 -9.791 -9.953 1.00 0.00 O ATOM 811 CB PHE A 61 -2.857 -7.588 -7.959 1.00 0.00 C ATOM 812 CG PHE A 61 -2.967 -6.076 -7.830 1.00 0.00 C ATOM 813 CD1 PHE A 61 -4.167 -5.349 -7.948 1.00 0.00 C ATOM 814 CD2 PHE A 61 -1.782 -5.373 -7.540 1.00 0.00 C ATOM 815 CE1 PHE A 61 -4.152 -3.947 -7.882 1.00 0.00 C ATOM 816 CE2 PHE A 61 -1.747 -3.973 -7.543 1.00 0.00 C ATOM 817 CZ PHE A 61 -2.939 -3.259 -7.728 1.00 0.00 C ATOM 0 H PHE A 61 -3.272 -9.576 -6.746 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.979 -7.827 -8.309 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.443 -7.957 -7.020 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.116 -7.787 -8.734 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.102 -5.872 -8.090 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.882 -5.924 -7.311 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.078 -3.396 -7.950 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.813 -3.450 -7.404 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.924 -2.179 -7.752 1.00 0.00 H new ATOM 827 N SER A 62 -5.066 -9.135 -10.459 1.00 0.00 N ATOM 828 CA SER A 62 -5.244 -10.017 -11.635 1.00 0.00 C ATOM 829 C SER A 62 -5.419 -9.238 -12.941 1.00 0.00 C ATOM 830 O SER A 62 -6.256 -8.339 -12.994 1.00 0.00 O ATOM 831 CB SER A 62 -6.532 -10.834 -11.460 1.00 0.00 C ATOM 832 OG SER A 62 -6.452 -11.711 -10.341 1.00 0.00 O ATOM 0 H SER A 62 -5.842 -8.489 -10.318 1.00 0.00 H new ATOM 0 HA SER A 62 -4.347 -10.633 -11.694 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.377 -10.158 -11.333 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.721 -11.414 -12.364 1.00 0.00 H new ATOM 0 HG SER A 62 -6.389 -11.185 -9.517 1.00 0.00 H new ATOM 838 N ARG A 63 -4.728 -9.619 -14.025 1.00 0.00 N ATOM 839 CA ARG A 63 -4.699 -8.875 -15.298 1.00 0.00 C ATOM 840 C ARG A 63 -6.047 -8.336 -15.834 1.00 0.00 C ATOM 841 O ARG A 63 -6.108 -7.181 -16.250 1.00 0.00 O ATOM 842 CB ARG A 63 -3.881 -9.675 -16.336 1.00 0.00 C ATOM 843 CG ARG A 63 -4.444 -11.052 -16.748 1.00 0.00 C ATOM 844 CD ARG A 63 -5.258 -11.030 -18.050 1.00 0.00 C ATOM 845 NE ARG A 63 -5.833 -12.356 -18.343 1.00 0.00 N ATOM 846 CZ ARG A 63 -5.253 -13.361 -18.995 1.00 0.00 C ATOM 847 NH1 ARG A 63 -4.023 -13.284 -19.464 1.00 0.00 N ATOM 848 NH2 ARG A 63 -5.917 -14.480 -19.187 1.00 0.00 N ATOM 0 H ARG A 63 -4.163 -10.468 -14.045 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.194 -7.933 -15.081 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.781 -9.065 -17.234 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.877 -9.823 -15.938 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.616 -11.752 -16.861 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.075 -11.431 -15.944 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.058 -10.294 -17.969 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.619 -10.717 -18.876 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.782 -12.522 -18.008 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.479 -12.431 -19.332 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.615 -14.077 -19.958 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.870 -14.574 -18.837 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.478 -15.254 -19.686 1.00 0.00 H new ATOM 862 N GLU A 64 -7.139 -9.105 -15.754 1.00 0.00 N ATOM 863 CA GLU A 64 -8.487 -8.644 -16.149 1.00 0.00 C ATOM 864 C GLU A 64 -9.054 -7.595 -15.175 1.00 0.00 C ATOM 865 O GLU A 64 -9.482 -6.519 -15.581 1.00 0.00 O ATOM 866 CB GLU A 64 -9.429 -9.856 -16.217 1.00 0.00 C ATOM 867 CG GLU A 64 -10.703 -9.558 -17.016 1.00 0.00 C ATOM 868 CD GLU A 64 -11.601 -10.801 -17.091 1.00 0.00 C ATOM 869 OE1 GLU A 64 -11.409 -11.639 -18.005 1.00 0.00 O ATOM 870 OE2 GLU A 64 -12.508 -10.953 -16.238 1.00 0.00 O ATOM 0 H GLU A 64 -7.119 -10.066 -15.414 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.408 -8.166 -17.125 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.905 -10.696 -16.673 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.700 -10.160 -15.206 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.248 -8.738 -16.548 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.439 -9.233 -18.022 1.00 0.00 H new ATOM 877 N SER A 65 -9.018 -7.873 -13.870 1.00 0.00 N ATOM 878 CA SER A 65 -9.477 -6.918 -12.838 1.00 0.00 C ATOM 879 C SER A 65 -8.654 -5.616 -12.882 1.00 0.00 C ATOM 880 O SER A 65 -9.177 -4.510 -12.739 1.00 0.00 O ATOM 881 CB SER A 65 -9.388 -7.581 -11.453 1.00 0.00 C ATOM 882 OG SER A 65 -10.073 -6.836 -10.451 1.00 0.00 O ATOM 0 H SER A 65 -8.674 -8.756 -13.493 1.00 0.00 H new ATOM 0 HA SER A 65 -10.515 -6.651 -13.038 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.808 -8.586 -11.506 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.341 -7.688 -11.171 1.00 0.00 H new ATOM 0 HG SER A 65 -9.991 -7.295 -9.589 1.00 0.00 H new ATOM 888 N ILE A 66 -7.357 -5.737 -13.177 1.00 0.00 N ATOM 889 CA ILE A 66 -6.455 -4.599 -13.438 1.00 0.00 C ATOM 890 C ILE A 66 -6.846 -3.817 -14.691 1.00 0.00 C ATOM 891 O ILE A 66 -6.844 -2.591 -14.654 1.00 0.00 O ATOM 892 CB ILE A 66 -5.010 -5.114 -13.536 1.00 0.00 C ATOM 893 CG1 ILE A 66 -4.560 -5.699 -12.190 1.00 0.00 C ATOM 894 CG2 ILE A 66 -4.026 -4.040 -14.031 1.00 0.00 C ATOM 895 CD1 ILE A 66 -4.453 -4.698 -11.045 1.00 0.00 C ATOM 0 H ILE A 66 -6.891 -6.642 -13.244 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.541 -3.900 -12.606 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.001 -5.905 -14.286 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.261 -6.482 -11.901 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.589 -6.175 -12.326 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.022 -4.461 -14.080 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.326 -3.701 -15.023 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.032 -3.196 -13.342 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.128 -5.213 -10.141 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.728 -3.926 -11.303 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.426 -4.239 -10.871 1.00 0.00 H new ATOM 907 N ALA A 67 -7.217 -4.487 -15.778 1.00 0.00 N ATOM 908 CA ALA A 67 -7.766 -3.852 -16.977 1.00 0.00 C ATOM 909 C ALA A 67 -9.111 -3.159 -16.700 1.00 0.00 C ATOM 910 O ALA A 67 -9.446 -2.196 -17.386 1.00 0.00 O ATOM 911 CB ALA A 67 -7.925 -4.917 -18.066 1.00 0.00 C ATOM 0 H ALA A 67 -7.145 -5.502 -15.854 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.076 -3.075 -17.307 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.334 -4.458 -18.966 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.953 -5.355 -18.291 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.602 -5.696 -17.717 1.00 0.00 H new ATOM 917 N ILE A 68 -9.864 -3.609 -15.689 1.00 0.00 N ATOM 918 CA ILE A 68 -11.074 -2.899 -15.231 1.00 0.00 C ATOM 919 C ILE A 68 -10.725 -1.646 -14.404 1.00 0.00 C ATOM 920 O ILE A 68 -11.365 -0.609 -14.598 1.00 0.00 O ATOM 921 CB ILE A 68 -12.042 -3.864 -14.498 1.00 0.00 C ATOM 922 CG1 ILE A 68 -12.609 -4.964 -15.430 1.00 0.00 C ATOM 923 CG2 ILE A 68 -13.201 -3.117 -13.812 1.00 0.00 C ATOM 924 CD1 ILE A 68 -13.457 -4.480 -16.615 1.00 0.00 C ATOM 0 H ILE A 68 -9.660 -4.462 -15.169 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.605 -2.534 -16.110 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.439 -4.349 -13.731 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.774 -5.545 -15.821 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.215 -5.642 -14.830 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.852 -3.835 -13.312 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.800 -2.419 -13.078 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.773 -2.568 -14.560 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.797 -5.339 -17.194 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -14.320 -3.928 -16.243 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.856 -3.829 -17.250 1.00 0.00 H new ATOM 936 N GLU A 69 -9.727 -1.699 -13.509 1.00 0.00 N ATOM 937 CA GLU A 69 -9.439 -0.591 -12.580 1.00 0.00 C ATOM 938 C GLU A 69 -8.339 0.397 -13.025 1.00 0.00 C ATOM 939 O GLU A 69 -8.381 1.553 -12.601 1.00 0.00 O ATOM 940 CB GLU A 69 -9.140 -1.171 -11.188 1.00 0.00 C ATOM 941 CG GLU A 69 -10.374 -1.116 -10.284 1.00 0.00 C ATOM 942 CD GLU A 69 -10.361 -2.182 -9.170 1.00 0.00 C ATOM 943 OE1 GLU A 69 -9.274 -2.596 -8.702 1.00 0.00 O ATOM 944 OE2 GLU A 69 -11.464 -2.614 -8.755 1.00 0.00 O ATOM 0 H GLU A 69 -9.103 -2.499 -13.407 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.337 0.026 -12.564 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.805 -2.204 -11.287 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.324 -0.614 -10.727 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.440 -0.127 -9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.268 -1.248 -10.893 1.00 0.00 H new ATOM 951 N SER A 70 -7.380 0.010 -13.876 1.00 0.00 N ATOM 952 CA SER A 70 -6.391 0.956 -14.445 1.00 0.00 C ATOM 953 C SER A 70 -6.838 1.456 -15.834 1.00 0.00 C ATOM 954 O SER A 70 -6.925 2.665 -16.051 1.00 0.00 O ATOM 955 CB SER A 70 -4.965 0.364 -14.472 1.00 0.00 C ATOM 956 OG SER A 70 -4.870 -0.806 -15.270 1.00 0.00 O ATOM 0 H SER A 70 -7.262 -0.953 -14.191 1.00 0.00 H new ATOM 0 HA SER A 70 -6.349 1.821 -13.783 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.272 1.115 -14.852 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.654 0.130 -13.454 1.00 0.00 H new ATOM 0 HG SER A 70 -5.588 -1.427 -15.027 1.00 0.00 H new ATOM 962 N GLU A 71 -7.164 0.541 -16.760 1.00 0.00 N ATOM 963 CA GLU A 71 -8.063 0.723 -17.920 1.00 0.00 C ATOM 964 C GLU A 71 -7.549 1.630 -19.062 1.00 0.00 C ATOM 965 O GLU A 71 -8.107 1.629 -20.159 1.00 0.00 O ATOM 966 CB GLU A 71 -9.459 1.160 -17.423 1.00 0.00 C ATOM 967 CG GLU A 71 -10.563 0.871 -18.449 1.00 0.00 C ATOM 968 CD GLU A 71 -11.969 1.083 -17.866 1.00 0.00 C ATOM 969 OE1 GLU A 71 -12.280 2.211 -17.410 1.00 0.00 O ATOM 970 OE2 GLU A 71 -12.801 0.146 -17.915 1.00 0.00 O ATOM 0 H GLU A 71 -6.786 -0.405 -16.720 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.111 -0.254 -18.401 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.688 0.643 -16.491 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.445 2.227 -17.200 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.430 1.519 -19.315 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.469 -0.156 -18.801 1.00 0.00 H new ATOM 977 N SER A 72 -6.458 2.370 -18.868 1.00 0.00 N ATOM 978 CA SER A 72 -5.881 3.325 -19.840 1.00 0.00 C ATOM 979 C SER A 72 -5.143 2.636 -21.024 1.00 0.00 C ATOM 980 O SER A 72 -4.136 3.131 -21.539 1.00 0.00 O ATOM 981 CB SER A 72 -4.981 4.315 -19.074 1.00 0.00 C ATOM 982 OG SER A 72 -4.706 5.496 -19.821 1.00 0.00 O ATOM 0 H SER A 72 -5.925 2.326 -18.000 1.00 0.00 H new ATOM 0 HA SER A 72 -6.695 3.869 -20.319 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.464 4.587 -18.135 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.042 3.824 -18.819 1.00 0.00 H new ATOM 0 HG SER A 72 -4.365 5.251 -20.706 1.00 0.00 H new ATOM 988 N ILE A 73 -5.603 1.441 -21.412 1.00 0.00 N ATOM 989 CA ILE A 73 -4.894 0.421 -22.201 1.00 0.00 C ATOM 990 C ILE A 73 -5.877 -0.236 -23.186 1.00 0.00 C ATOM 991 O ILE A 73 -7.005 -0.568 -22.815 1.00 0.00 O ATOM 992 CB ILE A 73 -4.290 -0.638 -21.238 1.00 0.00 C ATOM 993 CG1 ILE A 73 -3.390 -0.030 -20.136 1.00 0.00 C ATOM 994 CG2 ILE A 73 -3.546 -1.741 -22.013 1.00 0.00 C ATOM 995 CD1 ILE A 73 -2.017 0.476 -20.601 1.00 0.00 C ATOM 0 H ILE A 73 -6.546 1.138 -21.167 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.086 0.880 -22.771 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.139 -1.088 -20.722 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.924 0.799 -19.673 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.236 -0.782 -19.362 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.135 -2.466 -21.310 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.240 -2.243 -22.688 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.736 -1.296 -22.591 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.471 0.881 -19.749 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.453 -0.350 -21.035 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.151 1.256 -21.350 1.00 0.00 H new ATOM 1007 N ASN A 74 -5.462 -0.429 -24.444 1.00 0.00 N ATOM 1008 CA ASN A 74 -6.350 -0.891 -25.522 1.00 0.00 C ATOM 1009 C ASN A 74 -6.817 -2.367 -25.393 1.00 0.00 C ATOM 1010 O ASN A 74 -8.036 -2.586 -25.422 1.00 0.00 O ATOM 1011 CB ASN A 74 -5.712 -0.584 -26.891 1.00 0.00 C ATOM 1012 CG ASN A 74 -5.580 0.919 -27.137 1.00 0.00 C ATOM 1013 OD1 ASN A 74 -4.526 1.510 -26.930 1.00 0.00 O ATOM 1014 ND2 ASN A 74 -6.642 1.580 -27.565 1.00 0.00 N ATOM 0 H ASN A 74 -4.501 -0.270 -24.745 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.277 -0.326 -25.428 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.727 -1.048 -26.944 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.317 -1.029 -27.681 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.587 2.586 -27.724 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.517 1.084 -27.736 1.00 0.00 H new ATOM 1021 N PRO A 75 -5.929 -3.382 -25.258 1.00 0.00 N ATOM 1022 CA PRO A 75 -6.342 -4.783 -25.117 1.00 0.00 C ATOM 1023 C PRO A 75 -6.925 -5.073 -23.727 1.00 0.00 C ATOM 1024 O PRO A 75 -6.362 -4.664 -22.712 1.00 0.00 O ATOM 1025 CB PRO A 75 -5.084 -5.619 -25.387 1.00 0.00 C ATOM 1026 CG PRO A 75 -3.947 -4.687 -24.974 1.00 0.00 C ATOM 1027 CD PRO A 75 -4.476 -3.318 -25.397 1.00 0.00 C ATOM 0 HA PRO A 75 -7.140 -5.027 -25.818 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.081 -6.540 -24.804 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.009 -5.905 -26.436 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.752 -4.734 -23.903 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.014 -4.936 -25.479 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.059 -2.529 -24.771 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.193 -3.092 -26.425 1.00 0.00 H new ATOM 1035 N GLU A 76 -8.028 -5.830 -23.680 1.00 0.00 N ATOM 1036 CA GLU A 76 -8.743 -6.191 -22.446 1.00 0.00 C ATOM 1037 C GLU A 76 -7.989 -7.192 -21.550 1.00 0.00 C ATOM 1038 O GLU A 76 -8.252 -7.267 -20.349 1.00 0.00 O ATOM 1039 CB GLU A 76 -10.145 -6.707 -22.811 1.00 0.00 C ATOM 1040 CG GLU A 76 -10.157 -8.040 -23.575 1.00 0.00 C ATOM 1041 CD GLU A 76 -11.590 -8.431 -23.966 1.00 0.00 C ATOM 1042 OE1 GLU A 76 -12.277 -9.115 -23.169 1.00 0.00 O ATOM 1043 OE2 GLU A 76 -12.041 -8.064 -25.077 1.00 0.00 O ATOM 0 H GLU A 76 -8.460 -6.219 -24.518 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.821 -5.287 -21.842 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.725 -6.823 -21.895 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.650 -5.953 -23.415 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.541 -7.957 -24.470 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.717 -8.823 -22.957 1.00 0.00 H new ATOM 1050 N SER A 77 -7.025 -7.937 -22.097 1.00 0.00 N ATOM 1051 CA SER A 77 -6.101 -8.762 -21.301 1.00 0.00 C ATOM 1052 C SER A 77 -5.007 -7.913 -20.625 1.00 0.00 C ATOM 1053 O SER A 77 -4.488 -8.303 -19.583 1.00 0.00 O ATOM 1054 CB SER A 77 -5.446 -9.834 -22.189 1.00 0.00 C ATOM 1055 OG SER A 77 -6.424 -10.670 -22.800 1.00 0.00 O ATOM 0 H SER A 77 -6.860 -7.988 -23.102 1.00 0.00 H new ATOM 0 HA SER A 77 -6.688 -9.241 -20.517 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.844 -9.352 -22.960 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.769 -10.442 -21.589 1.00 0.00 H new ATOM 0 HG SER A 77 -5.978 -11.340 -23.359 1.00 0.00 H new ATOM 1061 N SER A 78 -4.656 -6.754 -21.200 1.00 0.00 N ATOM 1062 CA SER A 78 -3.813 -5.708 -20.587 1.00 0.00 C ATOM 1063 C SER A 78 -2.388 -6.165 -20.199 1.00 0.00 C ATOM 1064 O SER A 78 -1.726 -5.549 -19.365 1.00 0.00 O ATOM 1065 CB SER A 78 -4.582 -5.070 -19.421 1.00 0.00 C ATOM 1066 OG SER A 78 -4.218 -3.708 -19.243 1.00 0.00 O ATOM 0 H SER A 78 -4.961 -6.506 -22.141 1.00 0.00 H new ATOM 0 HA SER A 78 -3.621 -4.954 -21.350 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.654 -5.140 -19.608 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.382 -5.625 -18.504 1.00 0.00 H new ATOM 0 HG SER A 78 -4.725 -3.329 -18.495 1.00 0.00 H new ATOM 1072 N ASN A 79 -1.875 -7.246 -20.800 1.00 0.00 N ATOM 1073 CA ASN A 79 -0.625 -7.905 -20.388 1.00 0.00 C ATOM 1074 C ASN A 79 0.585 -6.949 -20.320 1.00 0.00 C ATOM 1075 O ASN A 79 1.380 -7.022 -19.385 1.00 0.00 O ATOM 1076 CB ASN A 79 -0.361 -9.077 -21.347 1.00 0.00 C ATOM 1077 CG ASN A 79 0.924 -9.830 -21.004 1.00 0.00 C ATOM 1078 OD1 ASN A 79 1.955 -9.649 -21.639 1.00 0.00 O ATOM 1079 ND2 ASN A 79 0.905 -10.672 -19.985 1.00 0.00 N ATOM 0 H ASN A 79 -2.322 -7.696 -21.599 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.751 -8.267 -19.368 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.204 -9.767 -21.314 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.297 -8.701 -22.368 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.753 -11.175 -19.724 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.043 -10.818 -19.460 1.00 0.00 H new ATOM 1086 N LYS A 80 0.690 -5.995 -21.254 1.00 0.00 N ATOM 1087 CA LYS A 80 1.747 -4.968 -21.245 1.00 0.00 C ATOM 1088 C LYS A 80 1.544 -3.928 -20.133 1.00 0.00 C ATOM 1089 O LYS A 80 2.524 -3.454 -19.563 1.00 0.00 O ATOM 1090 CB LYS A 80 1.850 -4.320 -22.641 1.00 0.00 C ATOM 1091 CG LYS A 80 2.771 -5.079 -23.617 1.00 0.00 C ATOM 1092 CD LYS A 80 2.322 -6.513 -23.950 1.00 0.00 C ATOM 1093 CE LYS A 80 3.278 -7.221 -24.927 1.00 0.00 C ATOM 1094 NZ LYS A 80 3.231 -6.657 -26.305 1.00 0.00 N ATOM 0 H LYS A 80 0.045 -5.911 -22.040 1.00 0.00 H new ATOM 0 HA LYS A 80 2.696 -5.454 -21.018 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.852 -4.255 -23.075 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.217 -3.299 -22.531 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.840 -4.511 -24.545 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.774 -5.117 -23.192 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.255 -7.092 -23.029 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.322 -6.485 -24.382 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.297 -7.148 -24.546 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.028 -8.281 -24.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.895 -7.175 -26.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.268 -6.750 -26.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.497 -5.652 -26.278 1.00 0.00 H new ATOM 1108 N SER A 81 0.304 -3.647 -19.724 1.00 0.00 N ATOM 1109 CA SER A 81 0.058 -2.885 -18.493 1.00 0.00 C ATOM 1110 C SER A 81 0.591 -3.645 -17.278 1.00 0.00 C ATOM 1111 O SER A 81 1.387 -3.087 -16.536 1.00 0.00 O ATOM 1112 CB SER A 81 -1.427 -2.568 -18.307 1.00 0.00 C ATOM 1113 OG SER A 81 -1.601 -1.553 -17.325 1.00 0.00 O ATOM 0 H SER A 81 -0.540 -3.932 -20.221 1.00 0.00 H new ATOM 0 HA SER A 81 0.590 -1.938 -18.584 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.857 -2.243 -19.254 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.962 -3.469 -18.006 1.00 0.00 H new ATOM 0 HG SER A 81 -2.556 -1.361 -17.219 1.00 0.00 H new ATOM 1119 N ILE A 82 0.265 -4.934 -17.101 1.00 0.00 N ATOM 1120 CA ILE A 82 0.740 -5.705 -15.928 1.00 0.00 C ATOM 1121 C ILE A 82 2.276 -5.826 -15.930 1.00 0.00 C ATOM 1122 O ILE A 82 2.899 -5.749 -14.875 1.00 0.00 O ATOM 1123 CB ILE A 82 -0.012 -7.058 -15.779 1.00 0.00 C ATOM 1124 CG1 ILE A 82 -1.447 -6.851 -15.240 1.00 0.00 C ATOM 1125 CG2 ILE A 82 0.698 -8.012 -14.798 1.00 0.00 C ATOM 1126 CD1 ILE A 82 -2.390 -6.141 -16.218 1.00 0.00 C ATOM 0 H ILE A 82 -0.320 -5.466 -17.745 1.00 0.00 H new ATOM 0 HA ILE A 82 0.490 -5.150 -15.024 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.030 -7.491 -16.779 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.871 -7.822 -14.985 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.396 -6.273 -14.317 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.137 -8.944 -14.726 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.705 -8.222 -15.159 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.755 -7.546 -13.814 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.375 -6.036 -15.763 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.993 -5.154 -16.455 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.474 -6.728 -17.133 1.00 0.00 H new ATOM 1138 N ASP A 83 2.892 -5.896 -17.110 1.00 0.00 N ATOM 1139 CA ASP A 83 4.349 -5.891 -17.285 1.00 0.00 C ATOM 1140 C ASP A 83 4.972 -4.531 -16.924 1.00 0.00 C ATOM 1141 O ASP A 83 5.986 -4.497 -16.227 1.00 0.00 O ATOM 1142 CB ASP A 83 4.692 -6.288 -18.727 1.00 0.00 C ATOM 1143 CG ASP A 83 6.210 -6.395 -18.942 1.00 0.00 C ATOM 1144 OD1 ASP A 83 6.817 -7.383 -18.463 1.00 0.00 O ATOM 1145 OD2 ASP A 83 6.786 -5.502 -19.608 1.00 0.00 O ATOM 0 H ASP A 83 2.383 -5.959 -17.992 1.00 0.00 H new ATOM 0 HA ASP A 83 4.777 -6.621 -16.597 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.223 -7.243 -18.963 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.278 -5.551 -19.415 1.00 0.00 H new ATOM 1150 N VAL A 84 4.346 -3.416 -17.329 1.00 0.00 N ATOM 1151 CA VAL A 84 4.718 -2.062 -16.865 1.00 0.00 C ATOM 1152 C VAL A 84 4.545 -1.938 -15.350 1.00 0.00 C ATOM 1153 O VAL A 84 5.444 -1.435 -14.687 1.00 0.00 O ATOM 1154 CB VAL A 84 3.915 -0.948 -17.584 1.00 0.00 C ATOM 1155 CG1 VAL A 84 3.991 0.428 -16.899 1.00 0.00 C ATOM 1156 CG2 VAL A 84 4.447 -0.781 -19.019 1.00 0.00 C ATOM 0 H VAL A 84 3.567 -3.423 -17.987 1.00 0.00 H new ATOM 0 HA VAL A 84 5.769 -1.924 -17.118 1.00 0.00 H new ATOM 0 HB VAL A 84 2.874 -1.272 -17.558 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.402 1.150 -17.466 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.595 0.353 -15.886 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.029 0.758 -16.859 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.884 0.002 -19.527 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.501 -0.507 -18.987 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.333 -1.720 -19.561 1.00 0.00 H new ATOM 1166 N ILE A 85 3.423 -2.402 -14.796 1.00 0.00 N ATOM 1167 CA ILE A 85 3.097 -2.334 -13.365 1.00 0.00 C ATOM 1168 C ILE A 85 4.148 -3.088 -12.567 1.00 0.00 C ATOM 1169 O ILE A 85 4.876 -2.474 -11.796 1.00 0.00 O ATOM 1170 CB ILE A 85 1.661 -2.869 -13.111 1.00 0.00 C ATOM 1171 CG1 ILE A 85 0.628 -1.896 -13.711 1.00 0.00 C ATOM 1172 CG2 ILE A 85 1.371 -3.057 -11.606 1.00 0.00 C ATOM 1173 CD1 ILE A 85 -0.764 -2.474 -13.981 1.00 0.00 C ATOM 0 H ILE A 85 2.691 -2.850 -15.347 1.00 0.00 H new ATOM 0 HA ILE A 85 3.110 -1.296 -13.031 1.00 0.00 H new ATOM 0 HB ILE A 85 1.585 -3.844 -13.592 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.522 -1.048 -13.034 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.026 -1.508 -14.649 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.356 -3.432 -11.475 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.079 -3.771 -11.185 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.473 -2.100 -11.094 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.404 -1.699 -14.402 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.684 -3.301 -14.686 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.196 -2.834 -13.047 1.00 0.00 H new ATOM 1185 N ILE A 86 4.267 -4.397 -12.772 1.00 0.00 N ATOM 1186 CA ILE A 86 5.161 -5.243 -11.972 1.00 0.00 C ATOM 1187 C ILE A 86 6.632 -4.915 -12.255 1.00 0.00 C ATOM 1188 O ILE A 86 7.434 -4.888 -11.323 1.00 0.00 O ATOM 1189 CB ILE A 86 4.798 -6.728 -12.191 1.00 0.00 C ATOM 1190 CG1 ILE A 86 3.336 -7.023 -11.770 1.00 0.00 C ATOM 1191 CG2 ILE A 86 5.773 -7.670 -11.462 1.00 0.00 C ATOM 1192 CD1 ILE A 86 3.007 -6.854 -10.278 1.00 0.00 C ATOM 0 H ILE A 86 3.751 -4.903 -13.492 1.00 0.00 H new ATOM 0 HA ILE A 86 5.021 -5.034 -10.911 1.00 0.00 H new ATOM 0 HB ILE A 86 4.888 -6.920 -13.260 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.677 -6.369 -12.341 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.097 -8.047 -12.059 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.482 -8.705 -11.642 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.784 -7.507 -11.835 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.744 -7.466 -10.392 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.956 -7.088 -10.108 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.629 -7.529 -9.690 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.202 -5.825 -9.977 1.00 0.00 H new ATOM 1204 N GLY A 87 6.976 -4.555 -13.497 1.00 0.00 N ATOM 1205 CA GLY A 87 8.329 -4.148 -13.887 1.00 0.00 C ATOM 1206 C GLY A 87 8.764 -2.842 -13.228 1.00 0.00 C ATOM 1207 O GLY A 87 9.869 -2.779 -12.689 1.00 0.00 O ATOM 0 H GLY A 87 6.311 -4.538 -14.270 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.032 -4.937 -13.620 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.372 -4.036 -14.970 1.00 0.00 H new ATOM 1211 N ARG A 88 7.910 -1.806 -13.194 1.00 0.00 N ATOM 1212 CA ARG A 88 8.239 -0.546 -12.534 1.00 0.00 C ATOM 1213 C ARG A 88 8.032 -0.615 -11.013 1.00 0.00 C ATOM 1214 O ARG A 88 8.734 0.096 -10.309 1.00 0.00 O ATOM 1215 CB ARG A 88 7.484 0.623 -13.186 1.00 0.00 C ATOM 1216 CG ARG A 88 8.182 1.223 -14.420 1.00 0.00 C ATOM 1217 CD ARG A 88 8.164 0.322 -15.665 1.00 0.00 C ATOM 1218 NE ARG A 88 8.898 0.932 -16.790 1.00 0.00 N ATOM 1219 CZ ARG A 88 8.480 1.887 -17.617 1.00 0.00 C ATOM 1220 NH1 ARG A 88 7.306 2.472 -17.493 1.00 0.00 N ATOM 1221 NH2 ARG A 88 9.261 2.276 -18.602 1.00 0.00 N ATOM 0 H ARG A 88 6.983 -1.824 -13.620 1.00 0.00 H new ATOM 0 HA ARG A 88 9.304 -0.362 -12.676 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.491 0.281 -13.476 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.346 1.409 -12.444 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.704 2.171 -14.667 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.218 1.445 -14.163 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.607 -0.644 -15.422 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.133 0.133 -15.963 1.00 0.00 H new ATOM 0 HE ARG A 88 9.841 0.579 -16.954 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.676 2.197 -16.739 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.027 3.200 -18.151 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.178 1.846 -18.726 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.950 3.007 -19.241 1.00 0.00 H new ATOM 1235 N LEU A 89 7.181 -1.500 -10.474 1.00 0.00 N ATOM 1236 CA LEU A 89 7.123 -1.815 -9.039 1.00 0.00 C ATOM 1237 C LEU A 89 8.473 -2.393 -8.601 1.00 0.00 C ATOM 1238 O LEU A 89 9.123 -1.809 -7.737 1.00 0.00 O ATOM 1239 CB LEU A 89 5.918 -2.756 -8.800 1.00 0.00 C ATOM 1240 CG LEU A 89 5.429 -2.878 -7.348 1.00 0.00 C ATOM 1241 CD1 LEU A 89 4.091 -3.633 -7.325 1.00 0.00 C ATOM 1242 CD2 LEU A 89 6.415 -3.588 -6.406 1.00 0.00 C ATOM 0 H LEU A 89 6.505 -2.024 -11.030 1.00 0.00 H new ATOM 0 HA LEU A 89 6.960 -0.930 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.086 -2.410 -9.414 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.185 -3.751 -9.156 1.00 0.00 H new ATOM 0 HG LEU A 89 5.325 -1.858 -6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.741 -3.722 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.354 -3.086 -7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.227 -4.628 -7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.992 -3.631 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.598 -4.600 -6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.355 -3.037 -6.380 1.00 0.00 H new ATOM 1254 N ARG A 90 8.940 -3.454 -9.276 1.00 0.00 N ATOM 1255 CA ARG A 90 10.284 -4.036 -9.117 1.00 0.00 C ATOM 1256 C ARG A 90 11.366 -2.960 -9.226 1.00 0.00 C ATOM 1257 O ARG A 90 12.207 -2.856 -8.338 1.00 0.00 O ATOM 1258 CB ARG A 90 10.507 -5.148 -10.165 1.00 0.00 C ATOM 1259 CG ARG A 90 9.916 -6.507 -9.749 1.00 0.00 C ATOM 1260 CD ARG A 90 10.764 -7.269 -8.716 1.00 0.00 C ATOM 1261 NE ARG A 90 12.060 -7.704 -9.280 1.00 0.00 N ATOM 1262 CZ ARG A 90 13.255 -7.144 -9.113 1.00 0.00 C ATOM 1263 NH1 ARG A 90 13.467 -6.103 -8.341 1.00 0.00 N ATOM 1264 NH2 ARG A 90 14.310 -7.604 -9.740 1.00 0.00 N ATOM 0 H ARG A 90 8.377 -3.947 -9.969 1.00 0.00 H new ATOM 0 HA ARG A 90 10.354 -4.475 -8.122 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.061 -4.840 -11.111 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.577 -5.263 -10.340 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.919 -6.348 -9.339 1.00 0.00 H new ATOM 0 HG3 ARG A 90 9.799 -7.128 -10.637 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.941 -6.631 -7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.211 -8.140 -8.363 1.00 0.00 H new ATOM 0 HE ARG A 90 12.034 -8.536 -9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.692 -5.681 -7.830 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.407 -5.717 -8.252 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.222 -8.403 -10.367 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.219 -7.163 -9.600 1.00 0.00 H new ATOM 1278 N SER A 91 11.311 -2.120 -10.258 1.00 0.00 N ATOM 1279 CA SER A 91 12.262 -1.016 -10.428 1.00 0.00 C ATOM 1280 C SER A 91 12.265 -0.052 -9.238 1.00 0.00 C ATOM 1281 O SER A 91 13.324 0.175 -8.651 1.00 0.00 O ATOM 1282 CB SER A 91 12.009 -0.271 -11.748 1.00 0.00 C ATOM 1283 OG SER A 91 13.062 0.633 -12.059 1.00 0.00 O ATOM 0 H SER A 91 10.611 -2.182 -10.998 1.00 0.00 H new ATOM 0 HA SER A 91 13.257 -1.460 -10.470 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.900 -0.993 -12.557 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.069 0.277 -11.681 1.00 0.00 H new ATOM 0 HG SER A 91 12.865 1.086 -12.906 1.00 0.00 H new ATOM 1289 N LYS A 92 11.104 0.453 -8.797 1.00 0.00 N ATOM 1290 CA LYS A 92 11.093 1.359 -7.640 1.00 0.00 C ATOM 1291 C LYS A 92 11.538 0.684 -6.328 1.00 0.00 C ATOM 1292 O LYS A 92 12.295 1.292 -5.571 1.00 0.00 O ATOM 1293 CB LYS A 92 9.732 2.071 -7.545 1.00 0.00 C ATOM 1294 CG LYS A 92 9.426 3.025 -8.721 1.00 0.00 C ATOM 1295 CD LYS A 92 10.553 4.033 -9.017 1.00 0.00 C ATOM 1296 CE LYS A 92 10.183 5.103 -10.058 1.00 0.00 C ATOM 1297 NZ LYS A 92 9.172 6.065 -9.547 1.00 0.00 N ATOM 0 H LYS A 92 10.190 0.259 -9.207 1.00 0.00 H new ATOM 0 HA LYS A 92 11.853 2.124 -7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.945 1.319 -7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.697 2.638 -6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.237 2.433 -9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.510 3.573 -8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.836 4.528 -8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.430 3.488 -9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.081 5.646 -10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.797 4.616 -10.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.257 6.965 -10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.219 5.674 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.332 6.230 -8.533 1.00 0.00 H new ATOM 1311 N ILE A 93 11.181 -0.582 -6.065 1.00 0.00 N ATOM 1312 CA ILE A 93 11.620 -1.284 -4.830 1.00 0.00 C ATOM 1313 C ILE A 93 13.068 -1.805 -4.874 1.00 0.00 C ATOM 1314 O ILE A 93 13.611 -2.156 -3.828 1.00 0.00 O ATOM 1315 CB ILE A 93 10.607 -2.355 -4.358 1.00 0.00 C ATOM 1316 CG1 ILE A 93 10.457 -3.637 -5.204 1.00 0.00 C ATOM 1317 CG2 ILE A 93 9.226 -1.699 -4.205 1.00 0.00 C ATOM 1318 CD1 ILE A 93 11.686 -4.548 -5.321 1.00 0.00 C ATOM 0 H ILE A 93 10.594 -1.145 -6.680 1.00 0.00 H new ATOM 0 HA ILE A 93 11.633 -0.511 -4.062 1.00 0.00 H new ATOM 0 HB ILE A 93 11.032 -2.714 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.640 -4.224 -4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.156 -3.345 -6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.504 -2.445 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.284 -0.897 -3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.909 -1.290 -5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.442 -5.410 -5.942 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.507 -3.994 -5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.983 -4.888 -4.329 1.00 0.00 H new ATOM 1330 N GLU A 94 13.694 -1.847 -6.054 1.00 0.00 N ATOM 1331 CA GLU A 94 15.123 -2.145 -6.215 1.00 0.00 C ATOM 1332 C GLU A 94 15.984 -0.868 -6.130 1.00 0.00 C ATOM 1333 O GLU A 94 17.074 -0.890 -5.555 1.00 0.00 O ATOM 1334 CB GLU A 94 15.324 -2.880 -7.548 1.00 0.00 C ATOM 1335 CG GLU A 94 16.715 -3.507 -7.688 1.00 0.00 C ATOM 1336 CD GLU A 94 16.769 -4.441 -8.908 1.00 0.00 C ATOM 1337 OE1 GLU A 94 16.160 -5.538 -8.853 1.00 0.00 O ATOM 1338 OE2 GLU A 94 17.411 -4.086 -9.924 1.00 0.00 O ATOM 0 H GLU A 94 13.216 -1.673 -6.938 1.00 0.00 H new ATOM 0 HA GLU A 94 15.453 -2.786 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.569 -3.661 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.163 -2.181 -8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.465 -2.722 -7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.960 -4.066 -6.785 1.00 0.00 H new ATOM 1345 N LYS A 95 15.493 0.260 -6.664 1.00 0.00 N ATOM 1346 CA LYS A 95 16.170 1.563 -6.608 1.00 0.00 C ATOM 1347 C LYS A 95 16.137 2.184 -5.195 1.00 0.00 C ATOM 1348 O LYS A 95 17.173 2.609 -4.679 1.00 0.00 O ATOM 1349 CB LYS A 95 15.529 2.473 -7.674 1.00 0.00 C ATOM 1350 CG LYS A 95 16.264 3.816 -7.816 1.00 0.00 C ATOM 1351 CD LYS A 95 15.708 4.690 -8.951 1.00 0.00 C ATOM 1352 CE LYS A 95 15.956 4.065 -10.335 1.00 0.00 C ATOM 1353 NZ LYS A 95 15.556 4.982 -11.439 1.00 0.00 N ATOM 0 H LYS A 95 14.600 0.292 -7.155 1.00 0.00 H new ATOM 0 HA LYS A 95 17.230 1.438 -6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.529 1.958 -8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.487 2.658 -7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.193 4.363 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.322 3.627 -7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.638 4.835 -8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.172 5.676 -8.910 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.012 3.814 -10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 95 15.398 3.132 -10.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.739 4.524 -12.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 14.543 5.201 -11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.107 5.862 -11.376 1.00 0.00 H new ATOM 1367 N ASN A 96 14.962 2.219 -4.556 1.00 0.00 N ATOM 1368 CA ASN A 96 14.789 2.640 -3.158 1.00 0.00 C ATOM 1369 C ASN A 96 15.133 1.490 -2.175 1.00 0.00 C ATOM 1370 O ASN A 96 15.038 0.320 -2.560 1.00 0.00 O ATOM 1371 CB ASN A 96 13.349 3.161 -2.969 1.00 0.00 C ATOM 1372 CG ASN A 96 13.082 4.422 -3.792 1.00 0.00 C ATOM 1373 OD1 ASN A 96 12.532 4.378 -4.886 1.00 0.00 O ATOM 1374 ND2 ASN A 96 13.482 5.584 -3.302 1.00 0.00 N ATOM 0 H ASN A 96 14.086 1.950 -5.004 1.00 0.00 H new ATOM 0 HA ASN A 96 15.484 3.448 -2.930 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.642 2.384 -3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 96 13.176 3.374 -1.914 1.00 0.00 H new ATOM 0 HD21 ASN A 96 13.332 6.441 -3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.940 5.623 -2.391 1.00 0.00 H new ATOM 1381 N PRO A 97 15.501 1.787 -0.907 1.00 0.00 N ATOM 1382 CA PRO A 97 15.843 0.764 0.088 1.00 0.00 C ATOM 1383 C PRO A 97 14.628 -0.029 0.598 1.00 0.00 C ATOM 1384 O PRO A 97 14.803 -1.114 1.151 1.00 0.00 O ATOM 1385 CB PRO A 97 16.536 1.525 1.225 1.00 0.00 C ATOM 1386 CG PRO A 97 15.913 2.915 1.154 1.00 0.00 C ATOM 1387 CD PRO A 97 15.722 3.118 -0.349 1.00 0.00 C ATOM 0 HA PRO A 97 16.485 0.003 -0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.357 1.054 2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.616 1.562 1.084 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.967 2.963 1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.565 3.674 1.586 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.873 3.772 -0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.599 3.588 -0.794 1.00 0.00 H new ATOM 1395 N LYS A 98 13.396 0.472 0.409 1.00 0.00 N ATOM 1396 CA LYS A 98 12.169 -0.237 0.804 1.00 0.00 C ATOM 1397 C LYS A 98 11.865 -1.423 -0.145 1.00 0.00 C ATOM 1398 O LYS A 98 11.416 -1.230 -1.275 1.00 0.00 O ATOM 1399 CB LYS A 98 11.024 0.781 0.914 1.00 0.00 C ATOM 1400 CG LYS A 98 9.725 0.173 1.470 1.00 0.00 C ATOM 1401 CD LYS A 98 9.782 -0.386 2.910 1.00 0.00 C ATOM 1402 CE LYS A 98 9.627 -1.924 2.970 1.00 0.00 C ATOM 1403 NZ LYS A 98 9.097 -2.377 4.293 1.00 0.00 N ATOM 0 H LYS A 98 13.223 1.380 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 98 12.299 -0.696 1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.338 1.603 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.827 1.205 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.948 0.937 1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.414 -0.632 0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.731 -0.104 3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.994 0.076 3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.955 -2.253 2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.593 -2.394 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.975 -3.410 4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.767 -2.115 5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.180 -1.922 4.474 1.00 0.00 H new ATOM 1417 N GLN A 99 12.068 -2.652 0.339 1.00 0.00 N ATOM 1418 CA GLN A 99 11.875 -3.921 -0.384 1.00 0.00 C ATOM 1419 C GLN A 99 10.455 -4.494 -0.149 1.00 0.00 C ATOM 1420 O GLN A 99 9.786 -4.071 0.799 1.00 0.00 O ATOM 1421 CB GLN A 99 12.969 -4.904 0.095 1.00 0.00 C ATOM 1422 CG GLN A 99 14.357 -4.538 -0.462 1.00 0.00 C ATOM 1423 CD GLN A 99 15.454 -5.454 0.089 1.00 0.00 C ATOM 1424 OE1 GLN A 99 15.765 -6.502 -0.464 1.00 0.00 O ATOM 1425 NE2 GLN A 99 16.070 -5.111 1.204 1.00 0.00 N ATOM 0 H GLN A 99 12.388 -2.801 1.296 1.00 0.00 H new ATOM 0 HA GLN A 99 11.963 -3.759 -1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.004 -4.905 1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.709 -5.916 -0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.341 -4.605 -1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.588 -3.503 -0.210 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.823 -4.242 1.677 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.794 -5.715 1.593 1.00 0.00 H new ATOM 1434 N PRO A 100 9.973 -5.441 -0.984 1.00 0.00 N ATOM 1435 CA PRO A 100 8.684 -6.108 -0.805 1.00 0.00 C ATOM 1436 C PRO A 100 8.775 -7.195 0.271 1.00 0.00 C ATOM 1437 O PRO A 100 9.843 -7.743 0.547 1.00 0.00 O ATOM 1438 CB PRO A 100 8.343 -6.697 -2.179 1.00 0.00 C ATOM 1439 CG PRO A 100 9.716 -7.053 -2.744 1.00 0.00 C ATOM 1440 CD PRO A 100 10.604 -5.931 -2.204 1.00 0.00 C ATOM 0 HA PRO A 100 7.910 -5.421 -0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 100 7.700 -7.573 -2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.820 -5.977 -2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.051 -8.033 -2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 100 9.712 -7.077 -3.834 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.609 -6.299 -1.998 1.00 0.00 H new ATOM 0 HD3 PRO A 100 10.702 -5.130 -2.937 1.00 0.00 H new ATOM 1448 N GLN A 101 7.617 -7.523 0.850 1.00 0.00 N ATOM 1449 CA GLN A 101 7.473 -8.563 1.874 1.00 0.00 C ATOM 1450 C GLN A 101 6.036 -9.109 1.940 1.00 0.00 C ATOM 1451 O GLN A 101 5.857 -10.310 2.141 1.00 0.00 O ATOM 1452 CB GLN A 101 7.988 -8.031 3.229 1.00 0.00 C ATOM 1453 CG GLN A 101 7.154 -6.889 3.830 1.00 0.00 C ATOM 1454 CD GLN A 101 7.867 -6.196 4.992 1.00 0.00 C ATOM 1455 OE1 GLN A 101 8.432 -5.116 4.853 1.00 0.00 O ATOM 1456 NE2 GLN A 101 7.884 -6.780 6.175 1.00 0.00 N ATOM 0 H GLN A 101 6.736 -7.065 0.616 1.00 0.00 H new ATOM 0 HA GLN A 101 8.089 -9.420 1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.016 -8.856 3.941 1.00 0.00 H new ATOM 0 HB3 GLN A 101 9.014 -7.685 3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.933 -6.156 3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.199 -7.284 4.177 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.419 -7.678 6.307 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.362 -6.333 6.957 1.00 0.00 H new ATOM 1465 N TYR A 102 5.014 -8.266 1.701 1.00 0.00 N ATOM 1466 CA TYR A 102 3.603 -8.707 1.648 1.00 0.00 C ATOM 1467 C TYR A 102 3.073 -9.000 0.234 1.00 0.00 C ATOM 1468 O TYR A 102 1.920 -9.407 0.098 1.00 0.00 O ATOM 1469 CB TYR A 102 2.732 -7.666 2.370 1.00 0.00 C ATOM 1470 CG TYR A 102 3.092 -7.466 3.831 1.00 0.00 C ATOM 1471 CD1 TYR A 102 2.797 -8.472 4.773 1.00 0.00 C ATOM 1472 CD2 TYR A 102 3.743 -6.289 4.246 1.00 0.00 C ATOM 1473 CE1 TYR A 102 3.152 -8.303 6.124 1.00 0.00 C ATOM 1474 CE2 TYR A 102 4.106 -6.116 5.598 1.00 0.00 C ATOM 1475 CZ TYR A 102 3.810 -7.126 6.542 1.00 0.00 C ATOM 1476 OH TYR A 102 4.160 -6.970 7.851 1.00 0.00 O ATOM 0 H TYR A 102 5.139 -7.267 1.540 1.00 0.00 H new ATOM 0 HA TYR A 102 3.551 -9.670 2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.819 -6.711 1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.688 -7.971 2.302 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.297 -9.375 4.457 1.00 0.00 H new ATOM 0 HD2 TYR A 102 3.965 -5.515 3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.921 -9.075 6.843 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.609 -5.213 5.912 1.00 0.00 H new ATOM 0 HH TYR A 102 4.605 -6.105 7.970 1.00 0.00 H new ATOM 1486 N ILE A 103 3.877 -8.804 -0.820 1.00 0.00 N ATOM 1487 CA ILE A 103 3.479 -9.093 -2.212 1.00 0.00 C ATOM 1488 C ILE A 103 4.169 -10.388 -2.694 1.00 0.00 C ATOM 1489 O ILE A 103 5.396 -10.490 -2.636 1.00 0.00 O ATOM 1490 CB ILE A 103 3.818 -7.921 -3.175 1.00 0.00 C ATOM 1491 CG1 ILE A 103 3.506 -6.512 -2.611 1.00 0.00 C ATOM 1492 CG2 ILE A 103 3.038 -8.124 -4.489 1.00 0.00 C ATOM 1493 CD1 ILE A 103 4.725 -5.813 -2.000 1.00 0.00 C ATOM 0 H ILE A 103 4.826 -8.439 -0.735 1.00 0.00 H new ATOM 0 HA ILE A 103 2.397 -9.222 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 103 4.897 -7.949 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.104 -5.890 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.728 -6.597 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.265 -7.309 -5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.328 -9.072 -4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.968 -8.134 -4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.432 -4.832 -1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.115 -6.414 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.496 -5.695 -2.761 1.00 0.00 H new ATOM 1505 N ILE A 104 3.398 -11.363 -3.185 1.00 0.00 N ATOM 1506 CA ILE A 104 3.882 -12.648 -3.754 1.00 0.00 C ATOM 1507 C ILE A 104 3.345 -12.857 -5.188 1.00 0.00 C ATOM 1508 O ILE A 104 2.212 -12.498 -5.492 1.00 0.00 O ATOM 1509 CB ILE A 104 3.502 -13.817 -2.802 1.00 0.00 C ATOM 1510 CG1 ILE A 104 4.129 -13.597 -1.398 1.00 0.00 C ATOM 1511 CG2 ILE A 104 3.930 -15.183 -3.378 1.00 0.00 C ATOM 1512 CD1 ILE A 104 3.821 -14.689 -0.364 1.00 0.00 C ATOM 0 H ILE A 104 2.381 -11.287 -3.203 1.00 0.00 H new ATOM 0 HA ILE A 104 4.969 -12.621 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 104 2.416 -13.827 -2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.211 -13.520 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.779 -12.641 -1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.647 -15.975 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.435 -15.345 -4.335 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.010 -15.195 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.304 -14.442 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.743 -14.755 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.197 -15.647 -0.724 1.00 0.00 H new ATOM 1524 N SER A 105 4.128 -13.448 -6.090 1.00 0.00 N ATOM 1525 CA SER A 105 3.768 -13.699 -7.493 1.00 0.00 C ATOM 1526 C SER A 105 3.034 -15.048 -7.669 1.00 0.00 C ATOM 1527 O SER A 105 3.462 -16.068 -7.123 1.00 0.00 O ATOM 1528 CB SER A 105 5.040 -13.705 -8.368 1.00 0.00 C ATOM 1529 OG SER A 105 5.934 -12.634 -8.069 1.00 0.00 O ATOM 0 H SER A 105 5.065 -13.779 -5.860 1.00 0.00 H new ATOM 0 HA SER A 105 3.095 -12.899 -7.803 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.561 -14.653 -8.233 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.751 -13.646 -9.417 1.00 0.00 H new ATOM 0 HG SER A 105 6.720 -12.691 -8.652 1.00 0.00 H new ATOM 1535 N VAL A 106 1.960 -15.071 -8.471 1.00 0.00 N ATOM 1536 CA VAL A 106 1.153 -16.273 -8.792 1.00 0.00 C ATOM 1537 C VAL A 106 1.068 -16.466 -10.317 1.00 0.00 C ATOM 1538 O VAL A 106 0.258 -15.837 -11.003 1.00 0.00 O ATOM 1539 CB VAL A 106 -0.262 -16.213 -8.154 1.00 0.00 C ATOM 1540 CG1 VAL A 106 -1.007 -17.547 -8.345 1.00 0.00 C ATOM 1541 CG2 VAL A 106 -0.214 -15.888 -6.649 1.00 0.00 C ATOM 0 H VAL A 106 1.612 -14.231 -8.932 1.00 0.00 H new ATOM 0 HA VAL A 106 1.657 -17.137 -8.358 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.792 -15.410 -8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.995 -17.480 -7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.111 -17.756 -9.410 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.443 -18.350 -7.871 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.228 -15.858 -6.251 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.357 -16.657 -6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.263 -14.919 -6.501 1.00 0.00 H new ATOM 1601 N GLY A 110 -1.674 -13.599 -11.570 1.00 0.00 N ATOM 1602 CA GLY A 110 -2.079 -12.990 -10.309 1.00 0.00 C ATOM 1603 C GLY A 110 -0.871 -12.574 -9.474 1.00 0.00 C ATOM 1604 O GLY A 110 0.190 -13.198 -9.536 1.00 0.00 O ATOM 0 HA2 GLY A 110 -2.702 -12.118 -10.509 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.688 -13.694 -9.743 1.00 0.00 H new ATOM 1608 N TYR A 111 -1.041 -11.562 -8.630 1.00 0.00 N ATOM 1609 CA TYR A 111 -0.071 -11.202 -7.590 1.00 0.00 C ATOM 1610 C TYR A 111 -0.790 -11.016 -6.255 1.00 0.00 C ATOM 1611 O TYR A 111 -1.632 -10.141 -6.084 1.00 0.00 O ATOM 1612 CB TYR A 111 0.718 -9.955 -7.993 1.00 0.00 C ATOM 1613 CG TYR A 111 1.482 -10.115 -9.299 1.00 0.00 C ATOM 1614 CD1 TYR A 111 0.819 -9.994 -10.537 1.00 0.00 C ATOM 1615 CD2 TYR A 111 2.846 -10.464 -9.271 1.00 0.00 C ATOM 1616 CE1 TYR A 111 1.500 -10.269 -11.739 1.00 0.00 C ATOM 1617 CE2 TYR A 111 3.540 -10.720 -10.470 1.00 0.00 C ATOM 1618 CZ TYR A 111 2.865 -10.633 -11.709 1.00 0.00 C ATOM 1619 OH TYR A 111 3.532 -10.860 -12.875 1.00 0.00 O ATOM 0 H TYR A 111 -1.864 -10.959 -8.645 1.00 0.00 H new ATOM 0 HA TYR A 111 0.650 -12.011 -7.475 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.031 -9.114 -8.084 1.00 0.00 H new ATOM 0 HB3 TYR A 111 1.421 -9.707 -7.198 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -0.217 -9.689 -10.564 1.00 0.00 H new ATOM 0 HD2 TYR A 111 3.363 -10.536 -8.325 1.00 0.00 H new ATOM 0 HE1 TYR A 111 0.979 -10.202 -12.683 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.587 -10.983 -10.443 1.00 0.00 H new ATOM 0 HH TYR A 111 4.462 -11.099 -12.679 1.00 0.00 H new ATOM 1629 N LYS A 112 -0.478 -11.889 -5.308 1.00 0.00 N ATOM 1630 CA LYS A 112 -1.135 -11.966 -4.005 1.00 0.00 C ATOM 1631 C LYS A 112 -0.588 -10.884 -3.073 1.00 0.00 C ATOM 1632 O LYS A 112 0.620 -10.799 -2.848 1.00 0.00 O ATOM 1633 CB LYS A 112 -0.989 -13.391 -3.439 1.00 0.00 C ATOM 1634 CG LYS A 112 -1.963 -13.724 -2.289 1.00 0.00 C ATOM 1635 CD LYS A 112 -1.491 -13.407 -0.857 1.00 0.00 C ATOM 1636 CE LYS A 112 -0.303 -14.290 -0.433 1.00 0.00 C ATOM 1637 NZ LYS A 112 -0.153 -14.361 1.049 1.00 0.00 N ATOM 0 H LYS A 112 0.259 -12.584 -5.425 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.203 -11.771 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.142 -14.107 -4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.033 -13.525 -3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -2.893 -13.184 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.197 -14.787 -2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.203 -12.358 -0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.318 -13.553 -0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.440 -15.295 -0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.614 -13.896 -0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.669 -14.952 1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.013 -13.404 1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -1.010 -14.777 1.465 1.00 0.00 H new ATOM 1651 N LEU A 113 -1.485 -10.086 -2.507 1.00 0.00 N ATOM 1652 CA LEU A 113 -1.202 -9.102 -1.460 1.00 0.00 C ATOM 1653 C LEU A 113 -2.098 -9.389 -0.250 1.00 0.00 C ATOM 1654 O LEU A 113 -3.035 -10.181 -0.331 1.00 0.00 O ATOM 1655 CB LEU A 113 -1.384 -7.672 -2.033 1.00 0.00 C ATOM 1656 CG LEU A 113 -0.128 -6.793 -1.890 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -0.258 -5.505 -2.712 1.00 0.00 C ATOM 1658 CD2 LEU A 113 0.157 -6.405 -0.430 1.00 0.00 C ATOM 0 H LEU A 113 -2.470 -10.104 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.169 -9.174 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.652 -7.742 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.217 -7.188 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 113 0.700 -7.397 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.643 -4.904 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.389 -5.757 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.121 -4.937 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.053 -5.786 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.690 -5.847 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.310 -7.307 0.163 1.00 0.00 H new ATOM 1670 N GLU A 114 -1.829 -8.732 0.874 1.00 0.00 N ATOM 1671 CA GLU A 114 -2.607 -8.904 2.106 1.00 0.00 C ATOM 1672 C GLU A 114 -2.688 -7.630 2.965 1.00 0.00 C ATOM 1673 O GLU A 114 -1.827 -6.750 2.891 1.00 0.00 O ATOM 1674 CB GLU A 114 -2.071 -10.115 2.890 1.00 0.00 C ATOM 1675 CG GLU A 114 -0.582 -10.044 3.260 1.00 0.00 C ATOM 1676 CD GLU A 114 -0.088 -11.415 3.736 1.00 0.00 C ATOM 1677 OE1 GLU A 114 0.212 -12.276 2.873 1.00 0.00 O ATOM 1678 OE2 GLU A 114 -0.007 -11.647 4.966 1.00 0.00 O ATOM 0 H GLU A 114 -1.064 -8.063 0.961 1.00 0.00 H new ATOM 0 HA GLU A 114 -3.640 -9.102 1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.652 -10.222 3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -2.240 -11.015 2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.001 -9.720 2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.430 -9.302 4.044 1.00 0.00 H new ATOM 1685 N TYR A 115 -3.774 -7.544 3.746 1.00 0.00 N ATOM 1686 CA TYR A 115 -4.196 -6.388 4.554 1.00 0.00 C ATOM 1687 C TYR A 115 -3.822 -6.563 6.041 1.00 0.00 C ATOM 1688 O TYR A 115 -3.148 -5.668 6.602 1.00 0.00 O ATOM 1689 CB TYR A 115 -5.713 -6.214 4.359 1.00 0.00 C ATOM 1690 CG TYR A 115 -6.337 -4.987 5.002 1.00 0.00 C ATOM 1691 CD1 TYR A 115 -6.781 -5.040 6.338 1.00 0.00 C ATOM 1692 CD2 TYR A 115 -6.539 -3.816 4.244 1.00 0.00 C ATOM 1693 CE1 TYR A 115 -7.429 -3.929 6.915 1.00 0.00 C ATOM 1694 CE2 TYR A 115 -7.199 -2.707 4.811 1.00 0.00 C ATOM 1695 CZ TYR A 115 -7.648 -2.763 6.150 1.00 0.00 C ATOM 1696 OH TYR A 115 -8.302 -1.705 6.708 1.00 0.00 O ATOM 1697 OXT TYR A 115 -4.183 -7.602 6.646 1.00 0.00 O ATOM 0 H TYR A 115 -4.422 -8.327 3.837 1.00 0.00 H new ATOM 0 HA TYR A 115 -3.674 -5.490 4.225 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.919 -6.182 3.289 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.213 -7.099 4.754 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.624 -5.935 6.922 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.187 -3.768 3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -7.758 -3.970 7.943 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -7.361 -1.816 4.223 1.00 0.00 H new ATOM 0 HH TYR A 115 -8.371 -0.980 6.052 1.00 0.00 H new