USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 SER OG : rot 20:sc= 0.142 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.377 K(o=0.38,f=-3.3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 36 MET CE :methyl -124:sc= 0 (180deg=-1.36!) USER MOD Single : A 37 THR OG1 : rot 86:sc= 0.605 USER MOD Single : A 38 ASN : amide:sc= -1.26 K(o=-1.3,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00991) USER MOD Single : A 44 THR OG1 : rot -74:sc= 0.538 USER MOD Single : A 51 MET CE :methyl -160:sc= -0.157 (180deg=-0.706) USER MOD Single : A 62 GLN : amide:sc= -1.28! K(o=-1.3!,f=-0.11) USER MOD Single : A 64 ASN : amide:sc= -1.63 K(o=-1.6,f=-6.6!) USER MOD Single : A 65 TYR OH : rot -24:sc= 0.528 USER MOD Single : A 70 GLN : amide:sc= -0.0677 K(o=-0.068,f=-0.73) USER MOD Single : A 71 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1.1) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -69:sc= 0.793 USER MOD ----------------------------------------------------------------- ATOM 110 N SER A 8 1.211 18.300 -0.751 1.00 0.00 N ATOM 111 CA SER A 8 -0.198 17.964 -1.032 1.00 0.00 C ATOM 112 C SER A 8 -0.368 16.481 -1.425 1.00 0.00 C ATOM 113 O SER A 8 0.004 15.597 -0.656 1.00 0.00 O ATOM 114 CB SER A 8 -0.792 18.928 -2.083 1.00 0.00 C ATOM 115 OG SER A 8 -0.542 20.284 -1.742 1.00 0.00 O ATOM 0 HA SER A 8 -0.767 18.099 -0.112 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.362 18.712 -3.061 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.867 18.764 -2.164 1.00 0.00 H new ATOM 0 HG SER A 8 0.205 20.330 -1.110 1.00 0.00 H new ATOM 121 N GLU A 9 -0.916 16.214 -2.616 1.00 0.00 N ATOM 122 CA GLU A 9 -1.095 14.848 -3.126 1.00 0.00 C ATOM 123 C GLU A 9 0.236 14.311 -3.656 1.00 0.00 C ATOM 124 O GLU A 9 0.478 13.106 -3.695 1.00 0.00 O ATOM 125 CB GLU A 9 -2.141 14.811 -4.250 1.00 0.00 C ATOM 126 CG GLU A 9 -3.435 15.561 -3.950 1.00 0.00 C ATOM 127 CD GLU A 9 -3.479 16.955 -4.568 1.00 0.00 C ATOM 128 OE1 GLU A 9 -2.427 17.621 -4.649 1.00 0.00 O ATOM 129 OE2 GLU A 9 -4.569 17.385 -4.987 1.00 0.00 O ATOM 0 H GLU A 9 -1.248 16.938 -3.254 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.445 14.224 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.697 15.229 -5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.383 13.771 -4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.279 14.979 -4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.556 15.645 -2.870 1.00 0.00 H new ATOM 136 N GLU A 10 1.105 15.243 -4.051 1.00 0.00 N ATOM 137 CA GLU A 10 2.429 14.940 -4.575 1.00 0.00 C ATOM 138 C GLU A 10 3.415 14.586 -3.448 1.00 0.00 C ATOM 139 O GLU A 10 4.439 13.944 -3.679 1.00 0.00 O ATOM 140 CB GLU A 10 2.914 16.096 -5.448 1.00 0.00 C ATOM 141 CG GLU A 10 1.990 16.341 -6.630 1.00 0.00 C ATOM 142 CD GLU A 10 2.503 17.400 -7.578 1.00 0.00 C ATOM 143 OE1 GLU A 10 2.316 18.601 -7.296 1.00 0.00 O ATOM 144 OE2 GLU A 10 3.071 17.041 -8.628 1.00 0.00 O ATOM 0 H GLU A 10 0.902 16.242 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 10 2.370 14.052 -5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.981 17.002 -4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.919 15.880 -5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.855 15.408 -7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.009 16.638 -6.260 1.00 0.00 H new ATOM 151 N GLU A 11 3.090 15.014 -2.229 1.00 0.00 N ATOM 152 CA GLU A 11 3.761 14.548 -1.005 1.00 0.00 C ATOM 153 C GLU A 11 3.566 13.035 -0.835 1.00 0.00 C ATOM 154 O GLU A 11 4.468 12.308 -0.411 1.00 0.00 O ATOM 155 CB GLU A 11 3.155 15.279 0.201 1.00 0.00 C ATOM 156 CG GLU A 11 3.812 14.993 1.539 1.00 0.00 C ATOM 157 CD GLU A 11 5.244 15.469 1.592 1.00 0.00 C ATOM 158 OE1 GLU A 11 5.474 16.687 1.460 1.00 0.00 O ATOM 159 OE2 GLU A 11 6.144 14.627 1.776 1.00 0.00 O ATOM 0 H GLU A 11 2.352 15.696 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 11 4.828 14.758 -1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.203 16.352 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.100 15.015 0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.242 15.478 2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.781 13.921 1.734 1.00 0.00 H new ATOM 166 N ILE A 12 2.373 12.583 -1.232 1.00 0.00 N ATOM 167 CA ILE A 12 1.940 11.206 -1.060 1.00 0.00 C ATOM 168 C ILE A 12 2.624 10.279 -2.086 1.00 0.00 C ATOM 169 O ILE A 12 2.721 9.087 -1.847 1.00 0.00 O ATOM 170 CB ILE A 12 0.380 11.088 -1.145 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.328 12.185 -0.310 1.00 0.00 C ATOM 172 CG2 ILE A 12 -0.107 9.712 -0.701 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.070 12.256 1.162 1.00 0.00 C ATOM 0 H ILE A 12 1.678 13.175 -1.686 1.00 0.00 H new ATOM 0 HA ILE A 12 2.243 10.884 -0.064 1.00 0.00 H new ATOM 0 HB ILE A 12 0.119 11.229 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.126 13.153 -0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.404 12.023 -0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.194 9.670 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.330 8.947 -1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.194 9.535 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.485 13.057 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.159 11.307 1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.139 12.455 1.241 1.00 0.00 H new ATOM 185 N ARG A 13 3.113 10.844 -3.217 1.00 0.00 N ATOM 186 CA ARG A 13 3.883 10.071 -4.227 1.00 0.00 C ATOM 187 C ARG A 13 5.125 9.423 -3.607 1.00 0.00 C ATOM 188 O ARG A 13 5.431 8.277 -3.897 1.00 0.00 O ATOM 189 CB ARG A 13 4.399 10.948 -5.369 1.00 0.00 C ATOM 190 CG ARG A 13 3.370 11.754 -6.130 1.00 0.00 C ATOM 191 CD ARG A 13 4.060 12.672 -7.134 1.00 0.00 C ATOM 192 NE ARG A 13 5.155 13.427 -6.503 1.00 0.00 N ATOM 193 CZ ARG A 13 5.768 14.499 -7.009 1.00 0.00 C ATOM 194 NH1 ARG A 13 5.437 14.986 -8.193 1.00 0.00 N ATOM 195 NH2 ARG A 13 6.726 15.086 -6.309 1.00 0.00 N ATOM 0 H ARG A 13 2.989 11.828 -3.454 1.00 0.00 H new ATOM 0 HA ARG A 13 3.182 9.325 -4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.136 11.639 -4.960 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.922 10.307 -6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.684 11.085 -6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.774 12.345 -5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.453 12.080 -7.961 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.333 13.366 -7.555 1.00 0.00 H new ATOM 0 HE ARG A 13 5.476 13.099 -5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.699 14.541 -8.739 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.919 15.807 -8.560 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.988 14.718 -5.394 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.202 15.906 -6.684 1.00 0.00 H new ATOM 209 N GLU A 14 5.831 10.195 -2.776 1.00 0.00 N ATOM 210 CA GLU A 14 7.048 9.755 -2.095 1.00 0.00 C ATOM 211 C GLU A 14 6.744 8.702 -1.024 1.00 0.00 C ATOM 212 O GLU A 14 7.515 7.761 -0.851 1.00 0.00 O ATOM 213 CB GLU A 14 7.747 10.966 -1.464 1.00 0.00 C ATOM 214 CG GLU A 14 9.097 10.662 -0.822 1.00 0.00 C ATOM 215 CD GLU A 14 10.190 10.367 -1.832 1.00 0.00 C ATOM 216 OE1 GLU A 14 10.188 9.276 -2.432 1.00 0.00 O ATOM 217 OE2 GLU A 14 11.060 11.232 -2.024 1.00 0.00 O ATOM 0 H GLU A 14 5.568 11.156 -2.556 1.00 0.00 H new ATOM 0 HA GLU A 14 7.705 9.294 -2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.889 11.727 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.089 11.394 -0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.399 11.511 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.989 9.808 -0.154 1.00 0.00 H new ATOM 224 N ALA A 15 5.622 8.866 -0.314 1.00 0.00 N ATOM 225 CA ALA A 15 5.166 7.872 0.668 1.00 0.00 C ATOM 226 C ALA A 15 4.781 6.567 -0.025 1.00 0.00 C ATOM 227 O ALA A 15 5.159 5.499 0.419 1.00 0.00 O ATOM 228 CB ALA A 15 3.995 8.416 1.473 1.00 0.00 C ATOM 0 H ALA A 15 5.011 9.678 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 15 5.988 7.665 1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.670 7.667 2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.304 9.318 2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.170 8.653 0.801 1.00 0.00 H new ATOM 234 N PHE A 16 4.089 6.689 -1.158 1.00 0.00 N ATOM 235 CA PHE A 16 3.707 5.562 -2.015 1.00 0.00 C ATOM 236 C PHE A 16 4.946 4.827 -2.563 1.00 0.00 C ATOM 237 O PHE A 16 4.923 3.623 -2.780 1.00 0.00 O ATOM 238 CB PHE A 16 2.857 6.115 -3.177 1.00 0.00 C ATOM 239 CG PHE A 16 2.332 5.090 -4.137 1.00 0.00 C ATOM 240 CD1 PHE A 16 1.184 4.391 -3.845 1.00 0.00 C ATOM 241 CD2 PHE A 16 2.991 4.833 -5.329 1.00 0.00 C ATOM 242 CE1 PHE A 16 0.693 3.453 -4.716 1.00 0.00 C ATOM 243 CE2 PHE A 16 2.502 3.891 -6.205 1.00 0.00 C ATOM 244 CZ PHE A 16 1.353 3.199 -5.893 1.00 0.00 C ATOM 0 H PHE A 16 3.771 7.590 -1.514 1.00 0.00 H new ATOM 0 HA PHE A 16 3.136 4.839 -1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.012 6.662 -2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.458 6.834 -3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.663 4.583 -2.919 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.893 5.375 -5.572 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.212 2.914 -4.477 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.017 3.695 -7.134 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.970 2.455 -6.576 1.00 0.00 H new ATOM 254 N ARG A 17 6.020 5.587 -2.738 1.00 0.00 N ATOM 255 CA ARG A 17 7.267 5.118 -3.327 1.00 0.00 C ATOM 256 C ARG A 17 8.066 4.235 -2.345 1.00 0.00 C ATOM 257 O ARG A 17 8.886 3.415 -2.766 1.00 0.00 O ATOM 258 CB ARG A 17 8.071 6.357 -3.734 1.00 0.00 C ATOM 259 CG ARG A 17 9.200 6.123 -4.699 1.00 0.00 C ATOM 260 CD ARG A 17 8.691 5.617 -6.035 1.00 0.00 C ATOM 261 NE ARG A 17 9.759 5.496 -7.021 1.00 0.00 N ATOM 262 CZ ARG A 17 9.923 6.318 -8.064 1.00 0.00 C ATOM 263 NH1 ARG A 17 9.094 7.346 -8.261 1.00 0.00 N ATOM 264 NH2 ARG A 17 10.920 6.104 -8.906 1.00 0.00 N ATOM 0 H ARG A 17 6.048 6.570 -2.468 1.00 0.00 H new ATOM 0 HA ARG A 17 7.058 4.492 -4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.386 7.081 -4.176 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.479 6.813 -2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.753 7.051 -4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.898 5.400 -4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.215 4.646 -5.897 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.926 6.296 -6.412 1.00 0.00 H new ATOM 0 HE ARG A 17 10.426 4.733 -6.908 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.325 7.512 -7.612 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.230 7.965 -9.060 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.554 5.319 -8.757 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.055 6.724 -9.705 1.00 0.00 H new ATOM 278 N VAL A 18 7.819 4.410 -1.038 1.00 0.00 N ATOM 279 CA VAL A 18 8.406 3.537 -0.007 1.00 0.00 C ATOM 280 C VAL A 18 7.671 2.215 -0.004 1.00 0.00 C ATOM 281 O VAL A 18 8.276 1.147 0.104 1.00 0.00 O ATOM 282 CB VAL A 18 8.273 4.095 1.433 1.00 0.00 C ATOM 283 CG1 VAL A 18 9.320 3.488 2.356 1.00 0.00 C ATOM 284 CG2 VAL A 18 8.337 5.591 1.471 1.00 0.00 C ATOM 0 H VAL A 18 7.218 5.147 -0.669 1.00 0.00 H new ATOM 0 HA VAL A 18 9.463 3.451 -0.259 1.00 0.00 H new ATOM 0 HB VAL A 18 7.286 3.805 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.202 3.898 3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.193 2.406 2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.316 3.725 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.239 5.933 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.293 5.925 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.526 6.005 0.873 1.00 0.00 H new ATOM 294 N PHE A 19 6.352 2.314 -0.135 1.00 0.00 N ATOM 295 CA PHE A 19 5.485 1.177 0.049 1.00 0.00 C ATOM 296 C PHE A 19 5.480 0.249 -1.176 1.00 0.00 C ATOM 297 O PHE A 19 5.353 -0.968 -1.034 1.00 0.00 O ATOM 298 CB PHE A 19 4.063 1.620 0.398 1.00 0.00 C ATOM 299 CG PHE A 19 3.890 2.081 1.824 1.00 0.00 C ATOM 300 CD1 PHE A 19 4.118 3.390 2.181 1.00 0.00 C ATOM 301 CD2 PHE A 19 3.493 1.198 2.801 1.00 0.00 C ATOM 302 CE1 PHE A 19 3.949 3.821 3.478 1.00 0.00 C ATOM 303 CE2 PHE A 19 3.320 1.615 4.108 1.00 0.00 C ATOM 304 CZ PHE A 19 3.553 2.930 4.448 1.00 0.00 C ATOM 0 H PHE A 19 5.867 3.180 -0.370 1.00 0.00 H new ATOM 0 HA PHE A 19 5.884 0.606 0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.772 2.430 -0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.380 0.791 0.211 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.437 4.095 1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.314 0.164 2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.127 4.855 3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.002 0.910 4.862 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.426 3.259 5.469 1.00 0.00 H new ATOM 314 N ASP A 20 5.615 0.835 -2.369 1.00 0.00 N ATOM 315 CA ASP A 20 5.759 0.062 -3.594 1.00 0.00 C ATOM 316 C ASP A 20 7.241 -0.244 -3.804 1.00 0.00 C ATOM 317 O ASP A 20 8.027 0.647 -4.118 1.00 0.00 O ATOM 318 CB ASP A 20 5.200 0.814 -4.815 1.00 0.00 C ATOM 319 CG ASP A 20 4.891 -0.116 -5.988 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.737 -0.927 -6.378 1.00 0.00 O ATOM 321 OD2 ASP A 20 3.790 -0.064 -6.522 1.00 0.00 O ATOM 0 H ASP A 20 5.627 1.846 -2.507 1.00 0.00 H new ATOM 0 HA ASP A 20 5.187 -0.860 -3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.292 1.343 -4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.920 1.568 -5.134 1.00 0.00 H new ATOM 326 N LYS A 21 7.606 -1.504 -3.605 1.00 0.00 N ATOM 327 CA LYS A 21 9.003 -1.941 -3.686 1.00 0.00 C ATOM 328 C LYS A 21 9.508 -2.122 -5.123 1.00 0.00 C ATOM 329 O LYS A 21 10.703 -2.009 -5.374 1.00 0.00 O ATOM 330 CB LYS A 21 9.194 -3.229 -2.877 1.00 0.00 C ATOM 331 CG LYS A 21 9.115 -3.009 -1.371 1.00 0.00 C ATOM 332 CD LYS A 21 10.200 -2.053 -0.913 1.00 0.00 C ATOM 333 CE LYS A 21 10.092 -1.721 0.561 1.00 0.00 C ATOM 334 NZ LYS A 21 11.117 -0.726 0.961 1.00 0.00 N ATOM 0 H LYS A 21 6.949 -2.252 -3.384 1.00 0.00 H new ATOM 0 HA LYS A 21 9.607 -1.142 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.434 -3.952 -3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.162 -3.665 -3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.136 -2.609 -1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.220 -3.962 -0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.177 -2.494 -1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.140 -1.133 -1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.098 -1.330 0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.213 -2.629 1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.020 -0.517 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.065 -1.111 0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.985 0.148 0.413 1.00 0.00 H new ATOM 348 N ASP A 22 8.601 -2.382 -6.057 1.00 0.00 N ATOM 349 CA ASP A 22 8.988 -2.629 -7.452 1.00 0.00 C ATOM 350 C ASP A 22 8.766 -1.387 -8.340 1.00 0.00 C ATOM 351 O ASP A 22 9.259 -1.333 -9.466 1.00 0.00 O ATOM 352 CB ASP A 22 8.217 -3.843 -8.011 1.00 0.00 C ATOM 353 CG ASP A 22 6.724 -3.757 -7.766 1.00 0.00 C ATOM 354 OD1 ASP A 22 6.046 -2.967 -8.416 1.00 0.00 O ATOM 355 OD2 ASP A 22 6.218 -4.458 -6.888 1.00 0.00 O ATOM 0 H ASP A 22 7.597 -2.428 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 22 10.056 -2.848 -7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.400 -3.921 -9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.603 -4.754 -7.554 1.00 0.00 H new ATOM 360 N GLY A 23 8.061 -0.386 -7.800 1.00 0.00 N ATOM 361 CA GLY A 23 7.806 0.872 -8.500 1.00 0.00 C ATOM 362 C GLY A 23 6.902 0.752 -9.730 1.00 0.00 C ATOM 363 O GLY A 23 7.178 1.388 -10.745 1.00 0.00 O ATOM 0 H GLY A 23 7.653 -0.428 -6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.353 1.575 -7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.760 1.300 -8.808 1.00 0.00 H new ATOM 367 N ASN A 24 5.827 -0.057 -9.661 1.00 0.00 N ATOM 368 CA ASN A 24 4.926 -0.203 -10.820 1.00 0.00 C ATOM 369 C ASN A 24 3.672 0.670 -10.696 1.00 0.00 C ATOM 370 O ASN A 24 2.986 0.917 -11.688 1.00 0.00 O ATOM 371 CB ASN A 24 4.515 -1.672 -11.068 1.00 0.00 C ATOM 372 CG ASN A 24 3.512 -2.233 -10.057 1.00 0.00 C ATOM 373 OD1 ASN A 24 3.521 -1.896 -8.874 1.00 0.00 O ATOM 374 ND2 ASN A 24 2.632 -3.096 -10.524 1.00 0.00 N ATOM 0 H ASN A 24 5.566 -0.605 -8.841 1.00 0.00 H new ATOM 0 HA ASN A 24 5.502 0.140 -11.679 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.087 -1.752 -12.067 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.411 -2.293 -11.054 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.935 -3.502 -9.900 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.648 -3.357 -11.510 1.00 0.00 H new ATOM 381 N GLY A 25 3.367 1.120 -9.484 1.00 0.00 N ATOM 382 CA GLY A 25 2.197 1.953 -9.278 1.00 0.00 C ATOM 383 C GLY A 25 1.028 1.213 -8.648 1.00 0.00 C ATOM 384 O GLY A 25 -0.074 1.739 -8.615 1.00 0.00 O ATOM 0 H GLY A 25 3.908 0.923 -8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.468 2.796 -8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.881 2.366 -10.236 1.00 0.00 H new ATOM 388 N TYR A 26 1.270 -0.006 -8.160 1.00 0.00 N ATOM 389 CA TYR A 26 0.268 -0.782 -7.423 1.00 0.00 C ATOM 390 C TYR A 26 0.931 -1.536 -6.265 1.00 0.00 C ATOM 391 O TYR A 26 1.937 -2.222 -6.458 1.00 0.00 O ATOM 392 CB TYR A 26 -0.450 -1.795 -8.338 1.00 0.00 C ATOM 393 CG TYR A 26 -1.572 -1.217 -9.185 1.00 0.00 C ATOM 394 CD1 TYR A 26 -2.862 -1.129 -8.681 1.00 0.00 C ATOM 395 CD2 TYR A 26 -1.348 -0.777 -10.481 1.00 0.00 C ATOM 396 CE1 TYR A 26 -3.895 -0.620 -9.436 1.00 0.00 C ATOM 397 CE2 TYR A 26 -2.378 -0.261 -11.244 1.00 0.00 C ATOM 398 CZ TYR A 26 -3.650 -0.189 -10.717 1.00 0.00 C ATOM 399 OH TYR A 26 -4.677 0.326 -11.473 1.00 0.00 O ATOM 0 H TYR A 26 2.165 -0.483 -8.264 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.470 -0.079 -7.037 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.287 -2.249 -9.000 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.858 -2.594 -7.719 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.060 -1.467 -7.675 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.354 -0.839 -10.900 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.891 -0.560 -9.024 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.187 0.085 -12.249 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.336 0.586 -12.354 1.00 0.00 H new ATOM 409 N ILE A 27 0.356 -1.412 -5.073 1.00 0.00 N ATOM 410 CA ILE A 27 0.874 -2.072 -3.876 1.00 0.00 C ATOM 411 C ILE A 27 0.053 -3.324 -3.581 1.00 0.00 C ATOM 412 O ILE A 27 -1.157 -3.241 -3.369 1.00 0.00 O ATOM 413 CB ILE A 27 0.830 -1.132 -2.631 1.00 0.00 C ATOM 414 CG1 ILE A 27 1.505 0.215 -2.931 1.00 0.00 C ATOM 415 CG2 ILE A 27 1.502 -1.793 -1.422 1.00 0.00 C ATOM 416 CD1 ILE A 27 1.261 1.268 -1.868 1.00 0.00 C ATOM 0 H ILE A 27 -0.481 -0.853 -4.908 1.00 0.00 H new ATOM 0 HA ILE A 27 1.914 -2.336 -4.070 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.218 -0.951 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.579 0.058 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.143 0.588 -3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.458 -1.118 -0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.983 -2.720 -1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.543 -2.012 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.768 2.192 -2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.191 1.454 -1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.649 0.917 -0.912 1.00 0.00 H new ATOM 428 N SER A 28 0.708 -4.474 -3.585 1.00 0.00 N ATOM 429 CA SER A 28 0.060 -5.719 -3.217 1.00 0.00 C ATOM 430 C SER A 28 0.342 -6.046 -1.746 1.00 0.00 C ATOM 431 O SER A 28 1.069 -5.315 -1.064 1.00 0.00 O ATOM 432 CB SER A 28 0.539 -6.850 -4.135 1.00 0.00 C ATOM 433 OG SER A 28 1.944 -7.027 -4.060 1.00 0.00 O ATOM 0 H SER A 28 1.691 -4.569 -3.840 1.00 0.00 H new ATOM 0 HA SER A 28 -1.018 -5.613 -3.340 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.040 -7.779 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.254 -6.629 -5.164 1.00 0.00 H new ATOM 0 HG SER A 28 2.214 -7.756 -4.656 1.00 0.00 H new ATOM 439 N ALA A 29 -0.227 -7.156 -1.274 1.00 0.00 N ATOM 440 CA ALA A 29 -0.053 -7.605 0.106 1.00 0.00 C ATOM 441 C ALA A 29 1.353 -8.165 0.352 1.00 0.00 C ATOM 442 O ALA A 29 1.823 -8.178 1.478 1.00 0.00 O ATOM 443 CB ALA A 29 -1.110 -8.645 0.459 1.00 0.00 C ATOM 0 H ALA A 29 -0.820 -7.767 -1.836 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.176 -6.737 0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.969 -8.971 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.102 -8.207 0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.015 -9.501 -0.209 1.00 0.00 H new ATOM 449 N ALA A 30 2.025 -8.611 -0.713 1.00 0.00 N ATOM 450 CA ALA A 30 3.405 -9.097 -0.613 1.00 0.00 C ATOM 451 C ALA A 30 4.377 -7.938 -0.375 1.00 0.00 C ATOM 452 O ALA A 30 5.335 -8.070 0.401 1.00 0.00 O ATOM 453 CB ALA A 30 3.787 -9.852 -1.875 1.00 0.00 C ATOM 0 H ALA A 30 1.636 -8.646 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 30 3.468 -9.774 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.814 -10.208 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.118 -10.702 -2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.704 -9.188 -2.735 1.00 0.00 H new ATOM 459 N GLU A 31 4.097 -6.802 -1.035 1.00 0.00 N ATOM 460 CA GLU A 31 4.911 -5.589 -0.903 1.00 0.00 C ATOM 461 C GLU A 31 4.731 -4.957 0.469 1.00 0.00 C ATOM 462 O GLU A 31 5.713 -4.689 1.157 1.00 0.00 O ATOM 463 CB GLU A 31 4.540 -4.565 -1.975 1.00 0.00 C ATOM 464 CG GLU A 31 4.831 -5.033 -3.378 1.00 0.00 C ATOM 465 CD GLU A 31 4.352 -4.054 -4.409 1.00 0.00 C ATOM 466 OE1 GLU A 31 5.024 -3.044 -4.642 1.00 0.00 O ATOM 467 OE2 GLU A 31 3.329 -4.308 -5.040 1.00 0.00 O ATOM 0 H GLU A 31 3.305 -6.702 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 31 5.953 -5.883 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.479 -4.331 -1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.086 -3.640 -1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.904 -5.185 -3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.352 -5.998 -3.545 1.00 0.00 H new ATOM 474 N LEU A 32 3.466 -4.778 0.869 1.00 0.00 N ATOM 475 CA LEU A 32 3.114 -4.122 2.130 1.00 0.00 C ATOM 476 C LEU A 32 3.545 -4.949 3.352 1.00 0.00 C ATOM 477 O LEU A 32 3.855 -4.383 4.392 1.00 0.00 O ATOM 478 CB LEU A 32 1.601 -3.833 2.179 1.00 0.00 C ATOM 479 CG LEU A 32 1.111 -3.064 3.419 1.00 0.00 C ATOM 480 CD1 LEU A 32 1.685 -1.666 3.441 1.00 0.00 C ATOM 481 CD2 LEU A 32 -0.406 -3.002 3.467 1.00 0.00 C ATOM 0 H LEU A 32 2.659 -5.085 0.326 1.00 0.00 H new ATOM 0 HA LEU A 32 3.659 -3.179 2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.329 -3.264 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.066 -4.781 2.127 1.00 0.00 H new ATOM 0 HG LEU A 32 1.459 -3.604 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.326 -1.139 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.773 -1.720 3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.370 -1.129 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.720 -2.452 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.778 -2.496 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.810 -4.013 3.505 1.00 0.00 H new ATOM 493 N ARG A 33 3.600 -6.278 3.205 1.00 0.00 N ATOM 494 CA ARG A 33 4.038 -7.166 4.289 1.00 0.00 C ATOM 495 C ARG A 33 5.522 -6.971 4.586 1.00 0.00 C ATOM 496 O ARG A 33 5.933 -6.977 5.750 1.00 0.00 O ATOM 497 CB ARG A 33 3.756 -8.626 3.928 1.00 0.00 C ATOM 498 CG ARG A 33 3.943 -9.603 5.074 1.00 0.00 C ATOM 499 CD ARG A 33 3.762 -11.029 4.597 1.00 0.00 C ATOM 500 NE ARG A 33 4.079 -12.016 5.629 1.00 0.00 N ATOM 501 CZ ARG A 33 5.198 -12.746 5.644 1.00 0.00 C ATOM 502 NH1 ARG A 33 6.175 -12.510 4.772 1.00 0.00 N ATOM 503 NH2 ARG A 33 5.354 -13.699 6.553 1.00 0.00 N ATOM 0 H ARG A 33 3.346 -6.763 2.344 1.00 0.00 H new ATOM 0 HA ARG A 33 3.474 -6.911 5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.732 -8.706 3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.411 -8.918 3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.937 -9.481 5.503 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.225 -9.385 5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.732 -11.170 4.270 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.398 -11.201 3.729 1.00 0.00 H new ATOM 0 HE ARG A 33 3.406 -12.155 6.382 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.074 -11.765 4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.025 -13.074 4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.620 -13.874 7.240 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.208 -14.257 6.566 1.00 0.00 H new ATOM 517 N HIS A 34 6.307 -6.750 3.528 1.00 0.00 N ATOM 518 CA HIS A 34 7.727 -6.476 3.671 1.00 0.00 C ATOM 519 C HIS A 34 7.936 -5.093 4.303 1.00 0.00 C ATOM 520 O HIS A 34 8.803 -4.946 5.146 1.00 0.00 O ATOM 521 CB HIS A 34 8.447 -6.573 2.311 1.00 0.00 C ATOM 522 CG HIS A 34 9.947 -6.713 2.409 1.00 0.00 C ATOM 523 ND1 HIS A 34 10.620 -7.866 2.072 1.00 0.00 N ATOM 524 CD2 HIS A 34 10.903 -5.834 2.808 1.00 0.00 C ATOM 525 CE1 HIS A 34 11.913 -7.692 2.261 1.00 0.00 C ATOM 526 NE2 HIS A 34 12.108 -6.469 2.705 1.00 0.00 N ATOM 0 H HIS A 34 5.976 -6.757 2.563 1.00 0.00 H new ATOM 0 HA HIS A 34 8.160 -7.229 4.330 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.049 -7.427 1.763 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.215 -5.683 1.726 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.740 -4.821 3.144 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.682 -8.429 2.082 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.014 -6.060 2.935 1.00 0.00 H new ATOM 535 N VAL A 35 7.115 -4.104 3.910 1.00 0.00 N ATOM 536 CA VAL A 35 7.240 -2.725 4.415 1.00 0.00 C ATOM 537 C VAL A 35 6.872 -2.639 5.907 1.00 0.00 C ATOM 538 O VAL A 35 7.569 -1.982 6.673 1.00 0.00 O ATOM 539 CB VAL A 35 6.372 -1.713 3.601 1.00 0.00 C ATOM 540 CG1 VAL A 35 6.593 -0.281 4.072 1.00 0.00 C ATOM 541 CG2 VAL A 35 6.673 -1.801 2.117 1.00 0.00 C ATOM 0 H VAL A 35 6.355 -4.234 3.242 1.00 0.00 H new ATOM 0 HA VAL A 35 8.287 -2.449 4.289 1.00 0.00 H new ATOM 0 HB VAL A 35 5.330 -1.984 3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.973 0.395 3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.322 -0.198 5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.642 -0.014 3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.054 -1.085 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.725 -1.573 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.457 -2.808 1.761 1.00 0.00 H new ATOM 551 N MET A 36 5.802 -3.337 6.312 1.00 0.00 N ATOM 552 CA MET A 36 5.353 -3.360 7.716 1.00 0.00 C ATOM 553 C MET A 36 6.405 -3.967 8.638 1.00 0.00 C ATOM 554 O MET A 36 6.736 -3.395 9.670 1.00 0.00 O ATOM 555 CB MET A 36 4.043 -4.135 7.861 1.00 0.00 C ATOM 556 CG MET A 36 2.832 -3.396 7.323 1.00 0.00 C ATOM 557 SD MET A 36 2.512 -1.857 8.198 1.00 0.00 S ATOM 558 CE MET A 36 1.081 -1.270 7.302 1.00 0.00 C ATOM 0 H MET A 36 5.226 -3.898 5.684 1.00 0.00 H new ATOM 0 HA MET A 36 5.192 -2.323 8.011 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.136 -5.088 7.341 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.880 -4.362 8.915 1.00 0.00 H new ATOM 0 HG2 MET A 36 2.982 -3.183 6.265 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.956 -4.040 7.397 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.279 -0.271 6.914 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.868 -1.946 6.474 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.222 -1.235 7.972 1.00 0.00 H new ATOM 568 N THR A 37 6.954 -5.105 8.233 1.00 0.00 N ATOM 569 CA THR A 37 7.974 -5.805 9.018 1.00 0.00 C ATOM 570 C THR A 37 9.339 -5.064 8.972 1.00 0.00 C ATOM 571 O THR A 37 10.139 -5.169 9.906 1.00 0.00 O ATOM 572 CB THR A 37 8.102 -7.268 8.526 1.00 0.00 C ATOM 573 OG1 THR A 37 6.791 -7.848 8.424 1.00 0.00 O ATOM 574 CG2 THR A 37 8.927 -8.121 9.482 1.00 0.00 C ATOM 0 H THR A 37 6.710 -5.570 7.358 1.00 0.00 H new ATOM 0 HA THR A 37 7.661 -5.817 10.062 1.00 0.00 H new ATOM 0 HB THR A 37 8.604 -7.247 7.559 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.405 -7.631 7.550 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.991 -9.139 9.098 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.930 -7.703 9.570 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.451 -8.132 10.463 1.00 0.00 H new ATOM 582 N ASN A 38 9.569 -4.278 7.912 1.00 0.00 N ATOM 583 CA ASN A 38 10.777 -3.443 7.782 1.00 0.00 C ATOM 584 C ASN A 38 10.734 -2.270 8.764 1.00 0.00 C ATOM 585 O ASN A 38 11.714 -1.987 9.449 1.00 0.00 O ATOM 586 CB ASN A 38 10.894 -2.904 6.344 1.00 0.00 C ATOM 587 CG ASN A 38 12.185 -2.149 6.066 1.00 0.00 C ATOM 588 OD1 ASN A 38 13.189 -2.743 5.695 1.00 0.00 O ATOM 589 ND2 ASN A 38 12.155 -0.834 6.205 1.00 0.00 N ATOM 0 H ASN A 38 8.928 -4.201 7.122 1.00 0.00 H new ATOM 0 HA ASN A 38 11.645 -4.062 8.011 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.817 -3.739 5.647 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.050 -2.244 6.145 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.987 -0.280 6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.300 -0.373 6.516 1.00 0.00 H new ATOM 596 N LEU A 39 9.572 -1.617 8.831 1.00 0.00 N ATOM 597 CA LEU A 39 9.369 -0.420 9.645 1.00 0.00 C ATOM 598 C LEU A 39 9.293 -0.737 11.141 1.00 0.00 C ATOM 599 O LEU A 39 9.518 0.142 11.971 1.00 0.00 O ATOM 600 CB LEU A 39 8.093 0.299 9.179 1.00 0.00 C ATOM 601 CG LEU A 39 8.264 1.423 8.131 1.00 0.00 C ATOM 602 CD1 LEU A 39 8.924 2.644 8.753 1.00 0.00 C ATOM 603 CD2 LEU A 39 9.061 0.972 6.907 1.00 0.00 C ATOM 0 H LEU A 39 8.740 -1.907 8.317 1.00 0.00 H new ATOM 0 HA LEU A 39 10.233 0.231 9.509 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.414 -0.448 8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.604 0.725 10.056 1.00 0.00 H new ATOM 0 HG LEU A 39 7.261 1.683 7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.034 3.422 7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.305 3.016 9.569 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.906 2.370 9.138 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.150 1.801 6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.055 0.652 7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.547 0.141 6.424 1.00 0.00 H new ATOM 615 N GLY A 40 9.004 -1.989 11.476 1.00 0.00 N ATOM 616 CA GLY A 40 9.024 -2.406 12.864 1.00 0.00 C ATOM 617 C GLY A 40 7.648 -2.677 13.423 1.00 0.00 C ATOM 618 O GLY A 40 7.466 -2.705 14.639 1.00 0.00 O ATOM 0 H GLY A 40 8.756 -2.722 10.811 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.631 -3.307 12.957 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.506 -1.633 13.462 1.00 0.00 H new ATOM 622 N GLU A 41 6.688 -2.873 12.530 1.00 0.00 N ATOM 623 CA GLU A 41 5.333 -3.221 12.920 1.00 0.00 C ATOM 624 C GLU A 41 5.226 -4.723 13.136 1.00 0.00 C ATOM 625 O GLU A 41 4.652 -5.161 14.132 1.00 0.00 O ATOM 626 CB GLU A 41 4.322 -2.783 11.846 1.00 0.00 C ATOM 627 CG GLU A 41 4.317 -1.285 11.578 1.00 0.00 C ATOM 628 CD GLU A 41 4.013 -0.477 12.821 1.00 0.00 C ATOM 629 OE1 GLU A 41 2.872 -0.557 13.321 1.00 0.00 O ATOM 630 OE2 GLU A 41 4.913 0.223 13.311 1.00 0.00 O ATOM 0 H GLU A 41 6.827 -2.796 11.522 1.00 0.00 H new ATOM 0 HA GLU A 41 5.101 -2.699 13.849 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.544 -3.308 10.917 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.323 -3.090 12.155 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.288 -0.986 11.182 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.577 -1.058 10.811 1.00 0.00 H new ATOM 637 N LYS A 42 5.838 -5.474 12.194 1.00 0.00 N ATOM 638 CA LYS A 42 5.769 -6.943 12.114 1.00 0.00 C ATOM 639 C LYS A 42 4.312 -7.377 11.959 1.00 0.00 C ATOM 640 O LYS A 42 3.588 -7.594 12.936 1.00 0.00 O ATOM 641 CB LYS A 42 6.459 -7.624 13.325 1.00 0.00 C ATOM 642 CG LYS A 42 7.119 -8.978 13.036 1.00 0.00 C ATOM 643 CD LYS A 42 6.112 -10.083 12.741 1.00 0.00 C ATOM 644 CE LYS A 42 6.769 -11.450 12.616 1.00 0.00 C ATOM 645 NZ LYS A 42 7.699 -11.520 11.458 1.00 0.00 N ATOM 0 H LYS A 42 6.406 -5.063 11.453 1.00 0.00 H new ATOM 0 HA LYS A 42 6.323 -7.272 11.235 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.218 -6.946 13.716 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.718 -7.762 14.112 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.793 -8.873 12.186 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.728 -9.269 13.892 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.367 -10.113 13.536 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.583 -9.851 11.816 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.315 -11.675 13.533 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.999 -12.214 12.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.085 -12.483 11.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.186 -11.282 10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.478 -10.845 11.597 1.00 0.00 H new ATOM 659 N LEU A 43 3.891 -7.482 10.720 1.00 0.00 N ATOM 660 CA LEU A 43 2.513 -7.775 10.406 1.00 0.00 C ATOM 661 C LEU A 43 2.466 -9.004 9.513 1.00 0.00 C ATOM 662 O LEU A 43 3.271 -9.118 8.582 1.00 0.00 O ATOM 663 CB LEU A 43 1.895 -6.555 9.710 1.00 0.00 C ATOM 664 CG LEU A 43 0.455 -6.217 10.093 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.358 -5.816 11.559 1.00 0.00 C ATOM 666 CD2 LEU A 43 -0.080 -5.103 9.208 1.00 0.00 C ATOM 0 H LEU A 43 4.492 -7.367 9.904 1.00 0.00 H new ATOM 0 HA LEU A 43 1.941 -7.983 11.310 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.519 -5.687 9.923 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.934 -6.719 8.633 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.152 -7.110 9.944 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.678 -5.581 11.804 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.701 -6.640 12.185 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.981 -4.940 11.739 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.107 -4.873 9.493 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.538 -4.213 9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.055 -5.422 8.166 1.00 0.00 H new ATOM 678 N THR A 44 1.546 -9.922 9.804 1.00 0.00 N ATOM 679 CA THR A 44 1.404 -11.148 9.015 1.00 0.00 C ATOM 680 C THR A 44 0.681 -10.852 7.714 1.00 0.00 C ATOM 681 O THR A 44 0.098 -9.786 7.565 1.00 0.00 O ATOM 682 CB THR A 44 0.632 -12.268 9.764 1.00 0.00 C ATOM 683 OG1 THR A 44 -0.681 -11.824 10.114 1.00 0.00 O ATOM 684 CG2 THR A 44 1.370 -12.721 11.016 1.00 0.00 C ATOM 0 H THR A 44 0.888 -9.842 10.579 1.00 0.00 H new ATOM 0 HA THR A 44 2.416 -11.507 8.826 1.00 0.00 H new ATOM 0 HB THR A 44 0.558 -13.119 9.086 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.624 -11.191 10.860 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.798 -13.505 11.512 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.351 -13.107 10.740 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.490 -11.876 11.694 1.00 0.00 H new ATOM 692 N ASP A 45 0.689 -11.817 6.800 1.00 0.00 N ATOM 693 CA ASP A 45 0.076 -11.663 5.472 1.00 0.00 C ATOM 694 C ASP A 45 -1.437 -11.444 5.538 1.00 0.00 C ATOM 695 O ASP A 45 -1.997 -10.765 4.684 1.00 0.00 O ATOM 696 CB ASP A 45 0.375 -12.879 4.590 1.00 0.00 C ATOM 697 CG ASP A 45 0.145 -14.215 5.280 1.00 0.00 C ATOM 698 OD1 ASP A 45 1.089 -14.725 5.907 1.00 0.00 O ATOM 699 OD2 ASP A 45 -0.975 -14.752 5.185 1.00 0.00 O ATOM 0 H ASP A 45 1.119 -12.730 6.952 1.00 0.00 H new ATOM 0 HA ASP A 45 0.521 -10.770 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.249 -12.830 3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.412 -12.827 4.257 1.00 0.00 H new ATOM 704 N GLU A 46 -2.072 -12.014 6.563 1.00 0.00 N ATOM 705 CA GLU A 46 -3.506 -11.850 6.806 1.00 0.00 C ATOM 706 C GLU A 46 -3.823 -10.442 7.309 1.00 0.00 C ATOM 707 O GLU A 46 -4.788 -9.831 6.866 1.00 0.00 O ATOM 708 CB GLU A 46 -3.992 -12.872 7.828 1.00 0.00 C ATOM 709 CG GLU A 46 -3.677 -14.304 7.460 1.00 0.00 C ATOM 710 CD GLU A 46 -4.246 -15.279 8.461 1.00 0.00 C ATOM 711 OE1 GLU A 46 -3.698 -15.379 9.574 1.00 0.00 O ATOM 712 OE2 GLU A 46 -5.254 -15.942 8.143 1.00 0.00 O ATOM 0 H GLU A 46 -1.604 -12.605 7.251 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.022 -12.008 5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.540 -12.648 8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.070 -12.767 7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.080 -14.522 6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.597 -14.434 7.400 1.00 0.00 H new ATOM 719 N GLU A 47 -2.979 -9.932 8.213 1.00 0.00 N ATOM 720 CA GLU A 47 -3.152 -8.592 8.795 1.00 0.00 C ATOM 721 C GLU A 47 -2.842 -7.500 7.765 1.00 0.00 C ATOM 722 O GLU A 47 -3.442 -6.427 7.781 1.00 0.00 O ATOM 723 CB GLU A 47 -2.238 -8.416 10.006 1.00 0.00 C ATOM 724 CG GLU A 47 -2.540 -9.341 11.169 1.00 0.00 C ATOM 725 CD GLU A 47 -1.516 -9.201 12.279 1.00 0.00 C ATOM 726 OE1 GLU A 47 -0.392 -9.732 12.135 1.00 0.00 O ATOM 727 OE2 GLU A 47 -1.823 -8.550 13.291 1.00 0.00 O ATOM 0 H GLU A 47 -2.161 -10.431 8.562 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.192 -8.498 9.106 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.207 -8.575 9.692 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.310 -7.385 10.352 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.533 -9.121 11.560 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.557 -10.373 10.818 1.00 0.00 H new ATOM 734 N VAL A 48 -1.890 -7.800 6.880 1.00 0.00 N ATOM 735 CA VAL A 48 -1.516 -6.932 5.767 1.00 0.00 C ATOM 736 C VAL A 48 -2.620 -6.896 4.703 1.00 0.00 C ATOM 737 O VAL A 48 -2.870 -5.854 4.111 1.00 0.00 O ATOM 738 CB VAL A 48 -0.163 -7.390 5.154 1.00 0.00 C ATOM 739 CG1 VAL A 48 0.129 -6.721 3.826 1.00 0.00 C ATOM 740 CG2 VAL A 48 0.967 -7.091 6.116 1.00 0.00 C ATOM 0 H VAL A 48 -1.351 -8.665 6.918 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.392 -5.918 6.149 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.242 -8.463 4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.085 -7.076 3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.660 -6.964 3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.173 -5.641 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.912 -7.415 5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.005 -6.019 6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.798 -7.624 7.052 1.00 0.00 H new ATOM 750 N ASP A 49 -3.298 -8.028 4.501 1.00 0.00 N ATOM 751 CA ASP A 49 -4.414 -8.121 3.561 1.00 0.00 C ATOM 752 C ASP A 49 -5.615 -7.287 4.037 1.00 0.00 C ATOM 753 O ASP A 49 -6.342 -6.719 3.221 1.00 0.00 O ATOM 754 CB ASP A 49 -4.801 -9.586 3.366 1.00 0.00 C ATOM 755 CG ASP A 49 -5.934 -9.772 2.380 1.00 0.00 C ATOM 756 OD1 ASP A 49 -5.730 -9.542 1.173 1.00 0.00 O ATOM 757 OD2 ASP A 49 -7.041 -10.146 2.808 1.00 0.00 O ATOM 0 H ASP A 49 -3.089 -8.902 4.983 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.099 -7.711 2.602 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.930 -10.143 3.020 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.090 -10.011 4.327 1.00 0.00 H new ATOM 762 N GLU A 50 -5.781 -7.181 5.369 1.00 0.00 N ATOM 763 CA GLU A 50 -6.795 -6.299 5.977 1.00 0.00 C ATOM 764 C GLU A 50 -6.474 -4.828 5.693 1.00 0.00 C ATOM 765 O GLU A 50 -7.374 -4.026 5.475 1.00 0.00 O ATOM 766 CB GLU A 50 -6.881 -6.488 7.497 1.00 0.00 C ATOM 767 CG GLU A 50 -7.061 -7.924 7.960 1.00 0.00 C ATOM 768 CD GLU A 50 -8.387 -8.523 7.546 1.00 0.00 C ATOM 769 OE1 GLU A 50 -8.468 -9.102 6.450 1.00 0.00 O ATOM 770 OE2 GLU A 50 -9.358 -8.415 8.325 1.00 0.00 O ATOM 0 H GLU A 50 -5.222 -7.698 6.048 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.751 -6.571 5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.973 -6.088 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.713 -5.894 7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.253 -8.533 7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.976 -7.962 9.046 1.00 0.00 H new ATOM 777 N MET A 51 -5.176 -4.501 5.677 1.00 0.00 N ATOM 778 CA MET A 51 -4.702 -3.141 5.399 1.00 0.00 C ATOM 779 C MET A 51 -4.770 -2.812 3.904 1.00 0.00 C ATOM 780 O MET A 51 -4.974 -1.656 3.534 1.00 0.00 O ATOM 781 CB MET A 51 -3.262 -2.968 5.889 1.00 0.00 C ATOM 782 CG MET A 51 -3.100 -3.058 7.397 1.00 0.00 C ATOM 783 SD MET A 51 -3.986 -1.754 8.274 1.00 0.00 S ATOM 784 CE MET A 51 -3.171 -0.290 7.633 1.00 0.00 C ATOM 0 H MET A 51 -4.427 -5.170 5.856 1.00 0.00 H new ATOM 0 HA MET A 51 -5.359 -2.454 5.933 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.638 -3.730 5.422 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.890 -2.000 5.552 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.459 -4.029 7.739 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.041 -3.004 7.648 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.341 0.547 8.310 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.101 -0.477 7.548 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.576 -0.049 6.650 1.00 0.00 H new ATOM 794 N ILE A 52 -4.586 -3.837 3.063 1.00 0.00 N ATOM 795 CA ILE A 52 -4.688 -3.705 1.608 1.00 0.00 C ATOM 796 C ILE A 52 -6.125 -3.408 1.194 1.00 0.00 C ATOM 797 O ILE A 52 -6.347 -2.496 0.425 1.00 0.00 O ATOM 798 CB ILE A 52 -4.130 -4.970 0.865 1.00 0.00 C ATOM 799 CG1 ILE A 52 -2.594 -4.990 0.920 1.00 0.00 C ATOM 800 CG2 ILE A 52 -4.599 -5.066 -0.593 1.00 0.00 C ATOM 801 CD1 ILE A 52 -1.920 -3.805 0.238 1.00 0.00 C ATOM 0 H ILE A 52 -4.362 -4.782 3.375 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.066 -2.862 1.309 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.532 -5.837 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.281 -5.018 1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.239 -5.910 0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.180 -5.961 -1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.687 -5.119 -0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.264 -4.186 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.838 -3.902 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.198 -3.785 -0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.241 -2.879 0.716 1.00 0.00 H new ATOM 813 N ARG A 53 -7.088 -4.150 1.756 1.00 0.00 N ATOM 814 CA ARG A 53 -8.506 -3.951 1.431 1.00 0.00 C ATOM 815 C ARG A 53 -9.069 -2.668 2.070 1.00 0.00 C ATOM 816 O ARG A 53 -10.077 -2.131 1.610 1.00 0.00 O ATOM 817 CB ARG A 53 -9.328 -5.192 1.832 1.00 0.00 C ATOM 818 CG ARG A 53 -9.404 -5.488 3.318 1.00 0.00 C ATOM 819 CD ARG A 53 -10.008 -6.854 3.568 1.00 0.00 C ATOM 820 NE ARG A 53 -10.298 -7.097 4.978 1.00 0.00 N ATOM 821 CZ ARG A 53 -11.523 -7.050 5.516 1.00 0.00 C ATOM 822 NH1 ARG A 53 -12.585 -6.729 4.773 1.00 0.00 N ATOM 823 NH2 ARG A 53 -11.683 -7.349 6.797 1.00 0.00 N ATOM 0 H ARG A 53 -6.912 -4.890 2.435 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.587 -3.822 0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.343 -5.069 1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.904 -6.062 1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.406 -5.442 3.753 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.003 -4.725 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.928 -6.950 2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.323 -7.621 3.206 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.515 -7.317 5.594 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.469 -6.516 3.782 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.513 -6.697 5.196 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.877 -7.612 7.364 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.612 -7.316 7.216 1.00 0.00 H new ATOM 837 N GLU A 54 -8.400 -2.184 3.118 1.00 0.00 N ATOM 838 CA GLU A 54 -8.756 -0.928 3.773 1.00 0.00 C ATOM 839 C GLU A 54 -8.275 0.276 2.940 1.00 0.00 C ATOM 840 O GLU A 54 -8.904 1.335 2.937 1.00 0.00 O ATOM 841 CB GLU A 54 -8.127 -0.901 5.168 1.00 0.00 C ATOM 842 CG GLU A 54 -8.627 0.212 6.061 1.00 0.00 C ATOM 843 CD GLU A 54 -7.876 0.260 7.372 1.00 0.00 C ATOM 844 OE1 GLU A 54 -6.797 0.878 7.416 1.00 0.00 O ATOM 845 OE2 GLU A 54 -8.376 -0.291 8.366 1.00 0.00 O ATOM 0 H GLU A 54 -7.596 -2.653 3.535 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.840 -0.860 3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.319 -1.856 5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.046 -0.808 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.521 1.167 5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.690 0.072 6.256 1.00 0.00 H new ATOM 852 N ALA A 55 -7.156 0.089 2.232 1.00 0.00 N ATOM 853 CA ALA A 55 -6.590 1.128 1.372 1.00 0.00 C ATOM 854 C ALA A 55 -7.129 1.043 -0.058 1.00 0.00 C ATOM 855 O ALA A 55 -7.007 1.991 -0.833 1.00 0.00 O ATOM 856 CB ALA A 55 -5.073 1.034 1.371 1.00 0.00 C ATOM 0 H ALA A 55 -6.622 -0.780 2.240 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.892 2.094 1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.661 1.812 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.700 1.167 2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.769 0.056 0.998 1.00 0.00 H new ATOM 862 N ASP A 56 -7.725 -0.097 -0.383 1.00 0.00 N ATOM 863 CA ASP A 56 -8.252 -0.348 -1.709 1.00 0.00 C ATOM 864 C ASP A 56 -9.679 0.180 -1.793 1.00 0.00 C ATOM 865 O ASP A 56 -10.548 -0.205 -1.011 1.00 0.00 O ATOM 866 CB ASP A 56 -8.217 -1.848 -2.021 1.00 0.00 C ATOM 867 CG ASP A 56 -8.151 -2.145 -3.504 1.00 0.00 C ATOM 868 OD1 ASP A 56 -9.039 -1.750 -4.227 1.00 0.00 O ATOM 869 OD2 ASP A 56 -7.211 -2.772 -3.957 1.00 0.00 O ATOM 0 H ASP A 56 -7.854 -0.871 0.269 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.635 0.167 -2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.354 -2.295 -1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.105 -2.321 -1.601 1.00 0.00 H new ATOM 874 N ILE A 57 -9.895 1.076 -2.746 1.00 0.00 N ATOM 875 CA ILE A 57 -11.189 1.714 -2.955 1.00 0.00 C ATOM 876 C ILE A 57 -12.144 0.788 -3.733 1.00 0.00 C ATOM 877 O ILE A 57 -13.349 0.747 -3.466 1.00 0.00 O ATOM 878 CB ILE A 57 -10.987 3.072 -3.698 1.00 0.00 C ATOM 879 CG1 ILE A 57 -10.081 3.996 -2.864 1.00 0.00 C ATOM 880 CG2 ILE A 57 -12.314 3.763 -4.002 1.00 0.00 C ATOM 881 CD1 ILE A 57 -9.746 5.315 -3.534 1.00 0.00 C ATOM 0 H ILE A 57 -9.174 1.383 -3.400 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.649 1.909 -1.986 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.508 2.858 -4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.569 4.200 -1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.153 3.470 -2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.124 4.704 -4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -12.924 3.118 -4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -12.843 3.962 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.105 5.904 -2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.227 5.124 -4.473 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.665 5.866 -3.733 1.00 0.00 H new ATOM 893 N ASP A 58 -11.587 0.013 -4.655 1.00 0.00 N ATOM 894 CA ASP A 58 -12.391 -0.776 -5.603 1.00 0.00 C ATOM 895 C ASP A 58 -12.447 -2.284 -5.268 1.00 0.00 C ATOM 896 O ASP A 58 -13.253 -3.018 -5.837 1.00 0.00 O ATOM 897 CB ASP A 58 -11.832 -0.573 -7.023 1.00 0.00 C ATOM 898 CG ASP A 58 -10.331 -0.788 -7.108 1.00 0.00 C ATOM 899 OD1 ASP A 58 -9.889 -1.881 -6.841 1.00 0.00 O ATOM 900 OD2 ASP A 58 -9.578 0.150 -7.416 1.00 0.00 O ATOM 0 H ASP A 58 -10.579 -0.092 -4.773 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.417 -0.414 -5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.331 -1.261 -7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.068 0.437 -7.359 1.00 0.00 H new ATOM 905 N GLY A 59 -11.603 -2.716 -4.334 1.00 0.00 N ATOM 906 CA GLY A 59 -11.497 -4.117 -3.935 1.00 0.00 C ATOM 907 C GLY A 59 -10.853 -5.043 -4.981 1.00 0.00 C ATOM 908 O GLY A 59 -11.319 -6.173 -5.152 1.00 0.00 O ATOM 0 H GLY A 59 -10.968 -2.098 -3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.916 -4.174 -3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.495 -4.491 -3.706 1.00 0.00 H new ATOM 912 N ASP A 60 -9.779 -4.593 -5.660 1.00 0.00 N ATOM 913 CA ASP A 60 -9.059 -5.458 -6.634 1.00 0.00 C ATOM 914 C ASP A 60 -7.854 -6.179 -6.002 1.00 0.00 C ATOM 915 O ASP A 60 -7.346 -7.142 -6.573 1.00 0.00 O ATOM 916 CB ASP A 60 -8.613 -4.709 -7.938 1.00 0.00 C ATOM 917 CG ASP A 60 -7.683 -3.501 -7.746 1.00 0.00 C ATOM 918 OD1 ASP A 60 -6.982 -3.419 -6.762 1.00 0.00 O ATOM 919 OD2 ASP A 60 -7.698 -2.571 -8.566 1.00 0.00 O ATOM 0 H ASP A 60 -9.392 -3.655 -5.560 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.796 -6.205 -6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.113 -5.425 -8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.508 -4.372 -8.462 1.00 0.00 H new ATOM 924 N GLY A 61 -7.418 -5.710 -4.831 1.00 0.00 N ATOM 925 CA GLY A 61 -6.301 -6.329 -4.118 1.00 0.00 C ATOM 926 C GLY A 61 -4.974 -5.602 -4.325 1.00 0.00 C ATOM 927 O GLY A 61 -3.931 -6.057 -3.858 1.00 0.00 O ATOM 0 H GLY A 61 -7.823 -4.903 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.530 -6.356 -3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.196 -7.362 -4.448 1.00 0.00 H new ATOM 931 N GLN A 62 -5.012 -4.482 -5.045 1.00 0.00 N ATOM 932 CA GLN A 62 -3.834 -3.656 -5.298 1.00 0.00 C ATOM 933 C GLN A 62 -4.186 -2.180 -5.107 1.00 0.00 C ATOM 934 O GLN A 62 -5.209 -1.686 -5.589 1.00 0.00 O ATOM 935 CB GLN A 62 -3.324 -3.802 -6.725 1.00 0.00 C ATOM 936 CG GLN A 62 -3.217 -5.221 -7.280 1.00 0.00 C ATOM 937 CD GLN A 62 -3.167 -5.262 -8.803 1.00 0.00 C ATOM 938 OE1 GLN A 62 -2.499 -6.106 -9.387 1.00 0.00 O ATOM 939 NE2 GLN A 62 -3.934 -4.402 -9.464 1.00 0.00 N ATOM 0 H GLN A 62 -5.865 -4.121 -5.471 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.067 -3.988 -4.599 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.981 -3.230 -7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.338 -3.341 -6.782 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.321 -5.695 -6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.069 -5.806 -6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.481 -3.709 -8.953 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.976 -4.435 -10.483 1.00 0.00 H new ATOM 948 N VAL A 63 -3.298 -1.475 -4.461 1.00 0.00 N ATOM 949 CA VAL A 63 -3.518 -0.079 -4.115 1.00 0.00 C ATOM 950 C VAL A 63 -2.691 0.819 -5.041 1.00 0.00 C ATOM 951 O VAL A 63 -1.467 0.840 -4.944 1.00 0.00 O ATOM 952 CB VAL A 63 -3.128 0.174 -2.629 1.00 0.00 C ATOM 953 CG1 VAL A 63 -3.441 1.596 -2.205 1.00 0.00 C ATOM 954 CG2 VAL A 63 -3.824 -0.815 -1.700 1.00 0.00 C ATOM 0 H VAL A 63 -2.397 -1.844 -4.155 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.575 0.158 -4.241 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.051 0.025 -2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.156 1.736 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.884 2.293 -2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.509 1.782 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.532 -0.613 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.904 -0.708 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.534 -1.831 -1.967 1.00 0.00 H new ATOM 964 N ASN A 64 -3.352 1.542 -5.957 1.00 0.00 N ATOM 965 CA ASN A 64 -2.625 2.465 -6.838 1.00 0.00 C ATOM 966 C ASN A 64 -2.482 3.836 -6.168 1.00 0.00 C ATOM 967 O ASN A 64 -2.852 3.987 -5.008 1.00 0.00 O ATOM 968 CB ASN A 64 -3.261 2.562 -8.255 1.00 0.00 C ATOM 969 CG ASN A 64 -4.434 3.517 -8.424 1.00 0.00 C ATOM 970 OD1 ASN A 64 -4.252 4.685 -8.757 1.00 0.00 O ATOM 971 ND2 ASN A 64 -5.634 3.029 -8.235 1.00 0.00 N ATOM 0 H ASN A 64 -4.361 1.508 -6.105 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.625 2.060 -6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.481 2.857 -8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.592 1.565 -8.547 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.453 3.624 -8.364 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.750 2.054 -7.959 1.00 0.00 H new ATOM 978 N TYR A 65 -1.909 4.800 -6.901 1.00 0.00 N ATOM 979 CA TYR A 65 -1.647 6.156 -6.408 1.00 0.00 C ATOM 980 C TYR A 65 -2.883 6.823 -5.782 1.00 0.00 C ATOM 981 O TYR A 65 -2.820 7.232 -4.635 1.00 0.00 O ATOM 982 CB TYR A 65 -1.084 7.010 -7.555 1.00 0.00 C ATOM 983 CG TYR A 65 -0.921 8.482 -7.231 1.00 0.00 C ATOM 984 CD1 TYR A 65 -0.005 8.914 -6.280 1.00 0.00 C ATOM 985 CD2 TYR A 65 -1.694 9.435 -7.882 1.00 0.00 C ATOM 986 CE1 TYR A 65 0.128 10.255 -5.986 1.00 0.00 C ATOM 987 CE2 TYR A 65 -1.564 10.773 -7.594 1.00 0.00 C ATOM 988 CZ TYR A 65 -0.655 11.180 -6.653 1.00 0.00 C ATOM 989 OH TYR A 65 -0.533 12.518 -6.376 1.00 0.00 O ATOM 0 H TYR A 65 -1.611 4.656 -7.866 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.914 6.079 -5.605 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.114 6.607 -7.847 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.742 6.913 -8.418 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.610 8.191 -5.765 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.409 9.119 -8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.838 10.581 -5.240 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.176 11.500 -8.107 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.171 12.633 -5.473 1.00 0.00 H new ATOM 999 N GLU A 66 -4.009 6.873 -6.508 1.00 0.00 N ATOM 1000 CA GLU A 66 -5.212 7.571 -6.022 1.00 0.00 C ATOM 1001 C GLU A 66 -5.896 6.818 -4.869 1.00 0.00 C ATOM 1002 O GLU A 66 -6.516 7.445 -4.009 1.00 0.00 O ATOM 1003 CB GLU A 66 -6.212 7.831 -7.159 1.00 0.00 C ATOM 1004 CG GLU A 66 -6.741 6.577 -7.834 1.00 0.00 C ATOM 1005 CD GLU A 66 -7.793 6.878 -8.873 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -8.923 7.236 -8.489 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -7.506 6.738 -10.076 1.00 0.00 O ATOM 0 H GLU A 66 -4.114 6.443 -7.427 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.874 8.532 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.055 8.397 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.733 8.458 -7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.914 6.045 -8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.161 5.912 -7.079 1.00 0.00 H new ATOM 1014 N GLU A 67 -5.746 5.487 -4.851 1.00 0.00 N ATOM 1015 CA GLU A 67 -6.258 4.649 -3.767 1.00 0.00 C ATOM 1016 C GLU A 67 -5.470 4.886 -2.474 1.00 0.00 C ATOM 1017 O GLU A 67 -6.034 4.900 -1.376 1.00 0.00 O ATOM 1018 CB GLU A 67 -6.196 3.170 -4.163 1.00 0.00 C ATOM 1019 CG GLU A 67 -7.135 2.798 -5.299 1.00 0.00 C ATOM 1020 CD GLU A 67 -7.142 1.311 -5.598 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -7.946 0.607 -5.004 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -6.364 0.838 -6.449 1.00 0.00 O ATOM 0 H GLU A 67 -5.268 4.966 -5.586 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.298 4.922 -3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.175 2.924 -4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.435 2.560 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.146 3.117 -5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.844 3.342 -6.197 1.00 0.00 H new ATOM 1029 N PHE A 68 -4.164 5.108 -2.632 1.00 0.00 N ATOM 1030 CA PHE A 68 -3.268 5.354 -1.513 1.00 0.00 C ATOM 1031 C PHE A 68 -3.438 6.776 -0.974 1.00 0.00 C ATOM 1032 O PHE A 68 -3.433 6.964 0.232 1.00 0.00 O ATOM 1033 CB PHE A 68 -1.815 5.104 -1.937 1.00 0.00 C ATOM 1034 CG PHE A 68 -0.838 5.057 -0.795 1.00 0.00 C ATOM 1035 CD1 PHE A 68 -0.823 3.983 0.077 1.00 0.00 C ATOM 1036 CD2 PHE A 68 0.067 6.086 -0.602 1.00 0.00 C ATOM 1037 CE1 PHE A 68 0.076 3.938 1.123 1.00 0.00 C ATOM 1038 CE2 PHE A 68 0.969 6.046 0.442 1.00 0.00 C ATOM 1039 CZ PHE A 68 0.971 4.973 1.307 1.00 0.00 C ATOM 0 H PHE A 68 -3.703 5.121 -3.542 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.523 4.662 -0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.765 4.162 -2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.510 5.889 -2.629 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.522 3.172 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.068 6.930 -1.276 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.079 3.094 1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.672 6.854 0.581 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.672 4.942 2.128 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.607 7.760 -1.877 1.00 0.00 N ATOM 1050 CA VAL A 69 -3.830 9.169 -1.495 1.00 0.00 C ATOM 1051 C VAL A 69 -5.115 9.312 -0.678 1.00 0.00 C ATOM 1052 O VAL A 69 -5.102 9.948 0.356 1.00 0.00 O ATOM 1053 CB VAL A 69 -3.873 10.122 -2.735 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -4.253 11.555 -2.358 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -2.535 10.144 -3.446 1.00 0.00 C ATOM 0 H VAL A 69 -3.593 7.604 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.980 9.467 -0.882 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.642 9.724 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.268 12.175 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.240 11.560 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.521 11.952 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.590 10.813 -4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.764 10.496 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.287 9.138 -3.786 1.00 0.00 H new ATOM 1065 N GLN A 70 -6.188 8.648 -1.113 1.00 0.00 N ATOM 1066 CA GLN A 70 -7.471 8.677 -0.395 1.00 0.00 C ATOM 1067 C GLN A 70 -7.417 7.964 0.963 1.00 0.00 C ATOM 1068 O GLN A 70 -8.254 8.202 1.826 1.00 0.00 O ATOM 1069 CB GLN A 70 -8.575 8.049 -1.244 1.00 0.00 C ATOM 1070 CG GLN A 70 -9.054 8.924 -2.396 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.779 10.181 -1.936 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -10.415 10.204 -0.881 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -9.699 11.227 -2.735 1.00 0.00 N ATOM 0 H GLN A 70 -6.197 8.081 -1.961 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.688 9.729 -0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.213 7.103 -1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.424 7.818 -0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.197 9.210 -3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.720 8.342 -3.033 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.162 11.168 -3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.174 12.095 -2.488 1.00 0.00 H new ATOM 1082 N HIS A 71 -6.445 7.082 1.147 1.00 0.00 N ATOM 1083 CA HIS A 71 -6.240 6.423 2.429 1.00 0.00 C ATOM 1084 C HIS A 71 -5.395 7.311 3.369 1.00 0.00 C ATOM 1085 O HIS A 71 -5.534 7.242 4.590 1.00 0.00 O ATOM 1086 CB HIS A 71 -5.565 5.063 2.194 1.00 0.00 C ATOM 1087 CG HIS A 71 -5.530 4.180 3.402 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -6.631 3.493 3.856 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -4.526 3.899 4.261 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -6.303 2.828 4.942 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -5.034 3.054 5.212 1.00 0.00 N ATOM 0 H HIS A 71 -5.783 6.805 0.422 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.203 6.261 2.913 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.090 4.543 1.392 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.544 5.231 1.850 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.513 4.271 4.208 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.966 2.199 5.518 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -4.515 2.664 5.999 1.00 0.00 H new ATOM 1100 N MET A 72 -4.547 8.145 2.775 1.00 0.00 N ATOM 1101 CA MET A 72 -3.608 8.983 3.518 1.00 0.00 C ATOM 1102 C MET A 72 -4.249 10.300 3.945 1.00 0.00 C ATOM 1103 O MET A 72 -4.172 10.674 5.109 1.00 0.00 O ATOM 1104 CB MET A 72 -2.364 9.253 2.660 1.00 0.00 C ATOM 1105 CG MET A 72 -1.504 8.019 2.429 1.00 0.00 C ATOM 1106 SD MET A 72 -0.585 7.495 3.882 1.00 0.00 S ATOM 1107 CE MET A 72 0.836 8.580 3.768 1.00 0.00 C ATOM 0 H MET A 72 -4.490 8.260 1.763 1.00 0.00 H new ATOM 0 HA MET A 72 -3.318 8.448 4.422 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.678 9.653 1.696 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.760 10.022 3.142 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.142 7.199 2.099 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.802 8.223 1.620 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.511 8.384 4.601 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.357 8.400 2.828 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.505 9.618 3.806 1.00 0.00 H new ATOM 1117 N THR A 73 -4.898 10.979 3.001 1.00 0.00 N ATOM 1118 CA THR A 73 -5.435 12.318 3.228 1.00 0.00 C ATOM 1119 C THR A 73 -6.809 12.283 3.904 1.00 0.00 C ATOM 1120 O THR A 73 -7.109 13.133 4.743 1.00 0.00 O ATOM 1121 CB THR A 73 -5.541 13.118 1.901 1.00 0.00 C ATOM 1122 OG1 THR A 73 -6.396 12.447 0.964 1.00 0.00 O ATOM 1123 CG2 THR A 73 -4.174 13.299 1.260 1.00 0.00 C ATOM 0 H THR A 73 -5.066 10.618 2.062 1.00 0.00 H new ATOM 0 HA THR A 73 -4.733 12.817 3.896 1.00 0.00 H new ATOM 0 HB THR A 73 -5.960 14.093 2.149 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.963 11.622 0.659 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.279 13.862 0.333 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.521 13.842 1.943 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.741 12.322 1.044 1.00 0.00 H new