USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=19 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 Set 1.1: A 15 TYR OH : rot -140:sc= -1.94 USER MOD Set 1.2: A 41 SER OG : rot 180:sc= 0.244 USER MOD Set 2.1: A 26 HIS : no HE2:sc= -14.7! C(o=-21!,f=-23!) USER MOD Set 2.2: A 30 HIS : no HD1:sc= -6.03! C(o=-21!,f=-21!) USER MOD Set 3.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 44 CYS SG : rot -83:sc= -7.33! USER MOD Set 4.1: A 12 MET CE :methyl 150:sc= -0.606 (180deg=-3.85!) USER MOD Set 4.2: A 20 GLN : amide:sc= 0 X(o=-0.61,f=-0.74) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 80:sc= 0.134 USER MOD Single : A 21 THR OG1 : rot 106:sc= 1.3 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.341 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot -41:sc= 0.325 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -170:sc= -0.372 (180deg=-0.815) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -130:sc= 1.76 (180deg=-0.292) USER MOD Single : A 58 LYS NZ :NH3+ 145:sc= -0.228 (180deg=-1.23!) USER MOD Single : A 62 MET CE :methyl 162:sc= -0.116 (180deg=-1.01) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LYS A 11 -10.236 -3.492 3.503 1.00 0.00 N ATOM 155 CA LYS A 11 -9.438 -2.264 3.266 1.00 0.00 C ATOM 156 C LYS A 11 -8.046 -2.356 3.881 1.00 0.00 C ATOM 157 O LYS A 11 -7.877 -2.197 5.075 1.00 0.00 O ATOM 158 CB LYS A 11 -10.195 -1.045 3.873 1.00 0.00 C ATOM 159 CG LYS A 11 -10.996 -1.471 5.139 1.00 0.00 C ATOM 160 CD LYS A 11 -10.992 -0.323 6.166 1.00 0.00 C ATOM 161 CE LYS A 11 -11.744 -0.765 7.422 1.00 0.00 C ATOM 162 NZ LYS A 11 -11.769 0.335 8.425 1.00 0.00 N ATOM 0 HA LYS A 11 -9.313 -2.145 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.484 -0.261 4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.874 -0.626 3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.020 -1.723 4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.554 -2.366 5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.968 -0.050 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.462 0.563 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.763 -1.052 7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.265 -1.645 7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.283 0.020 9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.795 0.590 8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.247 1.165 8.019 1.00 0.00 H new ATOM 176 N MET A 12 -7.073 -2.610 3.041 1.00 0.00 N ATOM 177 CA MET A 12 -5.681 -2.718 3.530 1.00 0.00 C ATOM 178 C MET A 12 -5.100 -1.317 3.710 1.00 0.00 C ATOM 179 O MET A 12 -5.479 -0.399 3.009 1.00 0.00 O ATOM 180 CB MET A 12 -4.862 -3.504 2.463 1.00 0.00 C ATOM 181 CG MET A 12 -3.795 -4.360 3.159 1.00 0.00 C ATOM 182 SD MET A 12 -2.708 -5.365 2.112 1.00 0.00 S ATOM 183 CE MET A 12 -2.291 -4.087 0.897 1.00 0.00 C ATOM 0 H MET A 12 -7.192 -2.746 2.037 1.00 0.00 H new ATOM 0 HA MET A 12 -5.644 -3.236 4.488 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.526 -4.139 1.876 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.389 -2.809 1.769 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.168 -3.696 3.754 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.302 -5.028 3.855 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.293 -4.274 0.501 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.015 -4.109 0.082 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.314 -3.108 1.376 1.00 0.00 H new ATOM 193 N SER A 13 -4.204 -1.174 4.651 1.00 0.00 N ATOM 194 CA SER A 13 -3.596 0.164 4.883 1.00 0.00 C ATOM 195 C SER A 13 -3.044 0.740 3.581 1.00 0.00 C ATOM 196 O SER A 13 -2.448 0.030 2.793 1.00 0.00 O ATOM 197 CB SER A 13 -2.444 0.002 5.889 1.00 0.00 C ATOM 198 OG SER A 13 -3.092 -0.052 7.151 1.00 0.00 O ATOM 0 H SER A 13 -3.871 -1.919 5.262 1.00 0.00 H new ATOM 0 HA SER A 13 -4.357 0.844 5.267 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.871 -0.905 5.696 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.746 0.838 5.834 1.00 0.00 H new ATOM 0 HG SER A 13 -2.422 -0.158 7.858 1.00 0.00 H new ATOM 204 N SER A 14 -3.264 2.018 3.373 1.00 0.00 N ATOM 205 CA SER A 14 -2.763 2.652 2.138 1.00 0.00 C ATOM 206 C SER A 14 -1.272 2.406 2.009 1.00 0.00 C ATOM 207 O SER A 14 -0.715 2.457 0.930 1.00 0.00 O ATOM 208 CB SER A 14 -3.031 4.157 2.239 1.00 0.00 C ATOM 209 OG SER A 14 -2.256 4.574 3.346 1.00 0.00 O ATOM 0 H SER A 14 -3.768 2.636 4.009 1.00 0.00 H new ATOM 0 HA SER A 14 -3.264 2.235 1.264 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.735 4.676 1.327 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.090 4.363 2.394 1.00 0.00 H new ATOM 0 HG SER A 14 -1.323 4.687 3.068 1.00 0.00 H new ATOM 215 N TYR A 15 -0.650 2.141 3.131 1.00 0.00 N ATOM 216 CA TYR A 15 0.802 1.881 3.120 1.00 0.00 C ATOM 217 C TYR A 15 1.030 0.475 2.627 1.00 0.00 C ATOM 218 O TYR A 15 1.804 0.247 1.724 1.00 0.00 O ATOM 219 CB TYR A 15 1.348 2.000 4.570 1.00 0.00 C ATOM 220 CG TYR A 15 2.739 1.333 4.668 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.670 1.463 3.643 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.056 0.551 5.754 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.878 0.819 3.715 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.271 -0.094 5.818 1.00 0.00 C ATOM 225 CZ TYR A 15 5.187 0.035 4.798 1.00 0.00 C ATOM 226 OH TYR A 15 6.374 -0.639 4.847 1.00 0.00 O ATOM 0 H TYR A 15 -1.094 2.096 4.048 1.00 0.00 H new ATOM 0 HA TYR A 15 1.309 2.597 2.474 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.418 3.049 4.856 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.658 1.525 5.267 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.440 2.076 2.784 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.348 0.442 6.562 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.592 0.930 2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.507 -0.706 6.676 1.00 0.00 H new ATOM 0 HH TYR A 15 6.229 -1.529 5.231 1.00 0.00 H new ATOM 236 N ALA A 16 0.363 -0.451 3.254 1.00 0.00 N ATOM 237 CA ALA A 16 0.515 -1.848 2.843 1.00 0.00 C ATOM 238 C ALA A 16 0.232 -1.967 1.359 1.00 0.00 C ATOM 239 O ALA A 16 0.757 -2.826 0.693 1.00 0.00 O ATOM 240 CB ALA A 16 -0.491 -2.696 3.622 1.00 0.00 C ATOM 0 H ALA A 16 -0.277 -0.289 4.031 1.00 0.00 H new ATOM 0 HA ALA A 16 1.530 -2.191 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.391 -3.741 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.298 -2.600 4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.502 -2.353 3.404 1.00 0.00 H new ATOM 246 N PHE A 17 -0.611 -1.083 0.869 1.00 0.00 N ATOM 247 CA PHE A 17 -0.941 -1.122 -0.575 1.00 0.00 C ATOM 248 C PHE A 17 0.292 -0.756 -1.380 1.00 0.00 C ATOM 249 O PHE A 17 0.533 -1.287 -2.444 1.00 0.00 O ATOM 250 CB PHE A 17 -2.081 -0.078 -0.841 1.00 0.00 C ATOM 251 CG PHE A 17 -3.340 -0.777 -1.366 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.455 -1.103 -2.706 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.395 -1.053 -0.515 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.607 -1.688 -3.184 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.545 -1.640 -0.999 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.650 -1.952 -2.331 1.00 0.00 C ATOM 0 H PHE A 17 -1.073 -0.350 1.407 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.271 -2.119 -0.868 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.313 0.458 0.079 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.741 0.663 -1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.637 -0.898 -3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.318 -0.807 0.534 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.690 -1.939 -4.231 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.364 -1.854 -0.329 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.554 -2.406 -2.709 1.00 0.00 H new ATOM 266 N PHE A 18 1.049 0.150 -0.846 1.00 0.00 N ATOM 267 CA PHE A 18 2.276 0.580 -1.545 1.00 0.00 C ATOM 268 C PHE A 18 3.358 -0.469 -1.364 1.00 0.00 C ATOM 269 O PHE A 18 4.328 -0.483 -2.098 1.00 0.00 O ATOM 270 CB PHE A 18 2.723 1.949 -0.953 1.00 0.00 C ATOM 271 CG PHE A 18 4.231 2.179 -1.158 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.146 1.636 -0.274 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.692 2.964 -2.202 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.496 1.880 -0.429 1.00 0.00 C ATOM 275 CE2 PHE A 18 6.043 3.204 -2.353 1.00 0.00 C ATOM 276 CZ PHE A 18 6.942 2.661 -1.464 1.00 0.00 C ATOM 0 H PHE A 18 0.869 0.611 0.046 1.00 0.00 H new ATOM 0 HA PHE A 18 2.091 0.693 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.162 2.754 -1.428 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.489 1.982 0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.802 1.018 0.542 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.990 3.391 -2.903 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.203 1.454 0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.394 3.818 -3.169 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.999 2.850 -1.581 1.00 0.00 H new ATOM 286 N VAL A 19 3.174 -1.345 -0.380 1.00 0.00 N ATOM 287 CA VAL A 19 4.190 -2.395 -0.153 1.00 0.00 C ATOM 288 C VAL A 19 3.987 -3.506 -1.118 1.00 0.00 C ATOM 289 O VAL A 19 4.922 -3.958 -1.700 1.00 0.00 O ATOM 290 CB VAL A 19 4.099 -2.950 1.291 1.00 0.00 C ATOM 291 CG1 VAL A 19 5.068 -4.146 1.431 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.526 -1.854 2.274 1.00 0.00 C ATOM 0 H VAL A 19 2.374 -1.361 0.252 1.00 0.00 H new ATOM 0 HA VAL A 19 5.176 -1.953 -0.297 1.00 0.00 H new ATOM 0 HB VAL A 19 3.078 -3.267 1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.011 -4.544 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.791 -4.924 0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.086 -3.815 1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.465 -2.236 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.551 -1.553 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.865 -0.993 2.169 1.00 0.00 H new ATOM 302 N GLN A 20 2.766 -3.950 -1.279 1.00 0.00 N ATOM 303 CA GLN A 20 2.564 -5.050 -2.236 1.00 0.00 C ATOM 304 C GLN A 20 2.985 -4.564 -3.591 1.00 0.00 C ATOM 305 O GLN A 20 3.337 -5.334 -4.465 1.00 0.00 O ATOM 306 CB GLN A 20 1.085 -5.465 -2.279 1.00 0.00 C ATOM 307 CG GLN A 20 0.227 -4.234 -2.476 1.00 0.00 C ATOM 308 CD GLN A 20 -1.225 -4.653 -2.689 1.00 0.00 C ATOM 309 OE1 GLN A 20 -1.766 -5.461 -1.960 1.00 0.00 O ATOM 310 NE2 GLN A 20 -1.892 -4.131 -3.678 1.00 0.00 N ATOM 0 H GLN A 20 1.933 -3.605 -0.802 1.00 0.00 H new ATOM 0 HA GLN A 20 3.152 -5.916 -1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.917 -6.173 -3.090 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.810 -5.970 -1.353 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.304 -3.581 -1.607 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.582 -3.664 -3.335 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.444 -3.452 -4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.863 -4.401 -3.837 1.00 0.00 H new ATOM 319 N THR A 21 2.944 -3.262 -3.733 1.00 0.00 N ATOM 320 CA THR A 21 3.334 -2.647 -5.012 1.00 0.00 C ATOM 321 C THR A 21 4.832 -2.550 -5.071 1.00 0.00 C ATOM 322 O THR A 21 5.424 -2.639 -6.129 1.00 0.00 O ATOM 323 CB THR A 21 2.729 -1.244 -5.078 1.00 0.00 C ATOM 324 OG1 THR A 21 1.336 -1.438 -4.998 1.00 0.00 O ATOM 325 CG2 THR A 21 2.946 -0.617 -6.454 1.00 0.00 C ATOM 0 H THR A 21 2.654 -2.607 -3.007 1.00 0.00 H new ATOM 0 HA THR A 21 2.976 -3.247 -5.849 1.00 0.00 H new ATOM 0 HB THR A 21 3.167 -0.618 -4.301 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.018 -1.166 -4.112 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.506 0.380 -6.473 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.015 -0.546 -6.657 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.473 -1.237 -7.215 1.00 0.00 H new ATOM 333 N SER A 22 5.431 -2.375 -3.917 1.00 0.00 N ATOM 334 CA SER A 22 6.906 -2.273 -3.868 1.00 0.00 C ATOM 335 C SER A 22 7.504 -3.662 -3.884 1.00 0.00 C ATOM 336 O SER A 22 8.633 -3.848 -4.262 1.00 0.00 O ATOM 337 CB SER A 22 7.305 -1.579 -2.556 1.00 0.00 C ATOM 338 OG SER A 22 8.710 -1.408 -2.670 1.00 0.00 O ATOM 0 H SER A 22 4.957 -2.300 -3.017 1.00 0.00 H new ATOM 0 HA SER A 22 7.268 -1.706 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.795 -0.623 -2.439 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.046 -2.186 -1.689 1.00 0.00 H new ATOM 0 HG SER A 22 9.052 -0.965 -1.865 1.00 0.00 H new ATOM 344 N ARG A 23 6.697 -4.616 -3.485 1.00 0.00 N ATOM 345 CA ARG A 23 7.147 -6.032 -3.444 1.00 0.00 C ATOM 346 C ARG A 23 7.403 -6.570 -4.830 1.00 0.00 C ATOM 347 O ARG A 23 8.494 -6.988 -5.137 1.00 0.00 O ATOM 348 CB ARG A 23 6.027 -6.858 -2.772 1.00 0.00 C ATOM 349 CG ARG A 23 6.580 -8.214 -2.260 1.00 0.00 C ATOM 350 CD ARG A 23 5.754 -8.672 -1.043 1.00 0.00 C ATOM 351 NE ARG A 23 5.916 -10.146 -0.874 1.00 0.00 N ATOM 352 CZ ARG A 23 5.301 -10.957 -1.692 1.00 0.00 C ATOM 353 NH1 ARG A 23 4.558 -10.453 -2.640 1.00 0.00 N ATOM 354 NH2 ARG A 23 5.450 -12.243 -1.536 1.00 0.00 N ATOM 0 H ARG A 23 5.734 -4.465 -3.183 1.00 0.00 H new ATOM 0 HA ARG A 23 8.081 -6.099 -2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.602 -6.295 -1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.220 -7.034 -3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.530 -8.962 -3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.630 -8.111 -1.984 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.086 -8.151 -0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.703 -8.423 -1.186 1.00 0.00 H new ATOM 0 HE ARG A 23 6.502 -10.517 -0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.466 -9.441 -2.732 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.070 -11.071 -3.288 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.039 -12.601 -0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.977 -12.891 -2.166 1.00 0.00 H new ATOM 368 N GLU A 24 6.390 -6.563 -5.635 1.00 0.00 N ATOM 369 CA GLU A 24 6.558 -7.075 -7.017 1.00 0.00 C ATOM 370 C GLU A 24 7.706 -6.348 -7.704 1.00 0.00 C ATOM 371 O GLU A 24 8.377 -6.897 -8.557 1.00 0.00 O ATOM 372 CB GLU A 24 5.260 -6.812 -7.797 1.00 0.00 C ATOM 373 CG GLU A 24 4.137 -7.660 -7.196 1.00 0.00 C ATOM 374 CD GLU A 24 2.872 -7.500 -8.043 1.00 0.00 C ATOM 375 OE1 GLU A 24 2.921 -7.942 -9.179 1.00 0.00 O ATOM 376 OE2 GLU A 24 1.927 -6.946 -7.504 1.00 0.00 O ATOM 0 H GLU A 24 5.456 -6.227 -5.401 1.00 0.00 H new ATOM 0 HA GLU A 24 6.777 -8.142 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.000 -5.755 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.397 -7.060 -8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.435 -8.708 -7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.942 -7.351 -6.169 1.00 0.00 H new ATOM 383 N GLU A 25 7.908 -5.118 -7.309 1.00 0.00 N ATOM 384 CA GLU A 25 8.993 -4.314 -7.903 1.00 0.00 C ATOM 385 C GLU A 25 10.337 -4.680 -7.279 1.00 0.00 C ATOM 386 O GLU A 25 11.375 -4.534 -7.893 1.00 0.00 O ATOM 387 CB GLU A 25 8.684 -2.830 -7.616 1.00 0.00 C ATOM 388 CG GLU A 25 7.631 -2.333 -8.609 1.00 0.00 C ATOM 389 CD GLU A 25 7.419 -0.830 -8.416 1.00 0.00 C ATOM 390 OE1 GLU A 25 7.300 -0.444 -7.265 1.00 0.00 O ATOM 391 OE2 GLU A 25 7.388 -0.153 -9.430 1.00 0.00 O ATOM 0 H GLU A 25 7.358 -4.641 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 25 9.052 -4.504 -8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.322 -2.713 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.592 -2.234 -7.702 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.953 -2.538 -9.630 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.692 -2.866 -8.458 1.00 0.00 H new ATOM 398 N HIS A 26 10.278 -5.152 -6.065 1.00 0.00 N ATOM 399 CA HIS A 26 11.527 -5.546 -5.344 1.00 0.00 C ATOM 400 C HIS A 26 11.949 -6.953 -5.768 1.00 0.00 C ATOM 401 O HIS A 26 13.108 -7.282 -5.763 1.00 0.00 O ATOM 402 CB HIS A 26 11.207 -5.493 -3.811 1.00 0.00 C ATOM 403 CG HIS A 26 11.962 -6.564 -3.002 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.853 -6.326 -2.158 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.763 -7.928 -2.948 1.00 0.00 C ATOM 406 CE1 HIS A 26 13.234 -7.384 -1.575 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.596 -8.461 -2.013 1.00 0.00 N ATOM 0 H HIS A 26 9.416 -5.283 -5.536 1.00 0.00 H new ATOM 0 HA HIS A 26 12.352 -4.873 -5.580 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.464 -4.506 -3.426 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.135 -5.623 -3.664 1.00 0.00 H new ATOM 0 HD1 HIS A 26 13.226 -5.397 -1.963 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.060 -8.483 -3.551 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.993 -7.407 -0.807 1.00 0.00 H new ATOM 415 N LYS A 27 10.997 -7.743 -6.149 1.00 0.00 N ATOM 416 CA LYS A 27 11.327 -9.116 -6.571 1.00 0.00 C ATOM 417 C LYS A 27 12.275 -9.097 -7.776 1.00 0.00 C ATOM 418 O LYS A 27 13.029 -10.024 -7.995 1.00 0.00 O ATOM 419 CB LYS A 27 10.013 -9.822 -6.971 1.00 0.00 C ATOM 420 CG LYS A 27 10.324 -11.231 -7.502 1.00 0.00 C ATOM 421 CD LYS A 27 9.007 -12.009 -7.701 1.00 0.00 C ATOM 422 CE LYS A 27 8.331 -12.281 -6.339 1.00 0.00 C ATOM 423 NZ LYS A 27 7.553 -13.549 -6.398 1.00 0.00 N ATOM 0 H LYS A 27 10.008 -7.497 -6.186 1.00 0.00 H new ATOM 0 HA LYS A 27 11.819 -9.641 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.346 -9.886 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.494 -9.241 -7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.865 -11.164 -8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.969 -11.761 -6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.334 -11.439 -8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.208 -12.952 -8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.086 -12.345 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.672 -11.453 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.102 -13.723 -5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.821 -13.473 -7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.192 -14.338 -6.625 1.00 0.00 H new ATOM 437 N LYS A 28 12.221 -8.027 -8.525 1.00 0.00 N ATOM 438 CA LYS A 28 13.099 -7.910 -9.721 1.00 0.00 C ATOM 439 C LYS A 28 14.520 -7.491 -9.364 1.00 0.00 C ATOM 440 O LYS A 28 15.320 -7.234 -10.244 1.00 0.00 O ATOM 441 CB LYS A 28 12.513 -6.831 -10.627 1.00 0.00 C ATOM 442 CG LYS A 28 11.055 -7.171 -10.948 1.00 0.00 C ATOM 443 CD LYS A 28 10.589 -6.327 -12.142 1.00 0.00 C ATOM 444 CE LYS A 28 10.829 -4.840 -11.844 1.00 0.00 C ATOM 445 NZ LYS A 28 9.990 -3.991 -12.734 1.00 0.00 N ATOM 0 H LYS A 28 11.606 -7.230 -8.358 1.00 0.00 H new ATOM 0 HA LYS A 28 13.144 -8.887 -10.201 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.572 -5.859 -10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.092 -6.760 -11.548 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.959 -8.232 -11.178 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.424 -6.975 -10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.130 -6.620 -13.041 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.531 -6.504 -12.335 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.593 -4.629 -10.801 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.882 -4.599 -11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.163 -2.988 -12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.235 -4.181 -13.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.986 -4.210 -12.577 1.00 0.00 H new ATOM 459 N LYS A 29 14.814 -7.417 -8.092 1.00 0.00 N ATOM 460 CA LYS A 29 16.197 -7.009 -7.681 1.00 0.00 C ATOM 461 C LYS A 29 16.530 -7.501 -6.255 1.00 0.00 C ATOM 462 O LYS A 29 17.393 -6.961 -5.598 1.00 0.00 O ATOM 463 CB LYS A 29 16.272 -5.452 -7.760 1.00 0.00 C ATOM 464 CG LYS A 29 17.738 -4.961 -7.547 1.00 0.00 C ATOM 465 CD LYS A 29 18.000 -3.689 -8.390 1.00 0.00 C ATOM 466 CE LYS A 29 18.384 -4.079 -9.822 1.00 0.00 C ATOM 467 NZ LYS A 29 18.481 -2.866 -10.677 1.00 0.00 N ATOM 0 H LYS A 29 14.169 -7.617 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 29 16.931 -7.462 -8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.907 -5.114 -8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.622 -5.012 -7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.909 -4.749 -6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.438 -5.746 -7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.109 -3.061 -8.402 1.00 0.00 H new ATOM 0 HD3 LYS A 29 18.799 -3.101 -7.938 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.337 -4.608 -9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.641 -4.763 -10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.742 -3.143 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.563 -2.378 -10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.206 -2.227 -10.293 1.00 0.00 H new ATOM 481 N HIS A 30 15.835 -8.533 -5.821 1.00 0.00 N ATOM 482 CA HIS A 30 16.084 -9.095 -4.450 1.00 0.00 C ATOM 483 C HIS A 30 15.724 -10.601 -4.409 1.00 0.00 C ATOM 484 O HIS A 30 14.805 -11.000 -3.721 1.00 0.00 O ATOM 485 CB HIS A 30 15.157 -8.385 -3.441 1.00 0.00 C ATOM 486 CG HIS A 30 15.553 -6.917 -3.221 1.00 0.00 C ATOM 487 ND1 HIS A 30 16.013 -6.466 -2.151 1.00 0.00 N ATOM 488 CD2 HIS A 30 15.393 -5.820 -4.039 1.00 0.00 C ATOM 489 CE1 HIS A 30 16.157 -5.209 -2.202 1.00 0.00 C ATOM 490 NE2 HIS A 30 15.790 -4.703 -3.374 1.00 0.00 N ATOM 0 H HIS A 30 15.108 -9.008 -6.356 1.00 0.00 H new ATOM 0 HA HIS A 30 17.136 -8.949 -4.205 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.129 -8.432 -3.800 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.187 -8.914 -2.488 1.00 0.00 H new ATOM 0 HD2 HIS A 30 15.012 -5.844 -5.049 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.536 -4.615 -1.384 1.00 0.00 H new ATOM 0 HE2 HIS A 30 15.803 -3.734 -3.691 1.00 0.00 H new ATOM 498 N PRO A 31 16.448 -11.414 -5.160 1.00 0.00 N ATOM 499 CA PRO A 31 16.177 -12.856 -5.183 1.00 0.00 C ATOM 500 C PRO A 31 16.621 -13.537 -3.878 1.00 0.00 C ATOM 501 O PRO A 31 16.129 -14.593 -3.528 1.00 0.00 O ATOM 502 CB PRO A 31 17.022 -13.392 -6.383 1.00 0.00 C ATOM 503 CG PRO A 31 17.971 -12.228 -6.833 1.00 0.00 C ATOM 504 CD PRO A 31 17.539 -10.961 -6.046 1.00 0.00 C ATOM 0 HA PRO A 31 15.112 -13.063 -5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 31 17.600 -14.268 -6.087 1.00 0.00 H new ATOM 0 HB3 PRO A 31 16.374 -13.700 -7.204 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.012 -12.476 -6.624 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.893 -12.060 -7.907 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.370 -10.551 -5.471 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.199 -10.175 -6.720 1.00 0.00 H new ATOM 512 N ASP A 32 17.533 -12.907 -3.192 1.00 0.00 N ATOM 513 CA ASP A 32 18.044 -13.481 -1.908 1.00 0.00 C ATOM 514 C ASP A 32 17.154 -13.131 -0.714 1.00 0.00 C ATOM 515 O ASP A 32 17.023 -13.906 0.213 1.00 0.00 O ATOM 516 CB ASP A 32 19.447 -12.899 -1.665 1.00 0.00 C ATOM 517 CG ASP A 32 20.206 -12.853 -2.995 1.00 0.00 C ATOM 518 OD1 ASP A 32 20.005 -11.877 -3.700 1.00 0.00 O ATOM 519 OD2 ASP A 32 20.943 -13.796 -3.232 1.00 0.00 O ATOM 0 H ASP A 32 17.950 -12.016 -3.463 1.00 0.00 H new ATOM 0 HA ASP A 32 18.056 -14.567 -1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.371 -11.898 -1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 32 19.989 -13.511 -0.944 1.00 0.00 H new ATOM 524 N ALA A 33 16.560 -11.982 -0.759 1.00 0.00 N ATOM 525 CA ALA A 33 15.681 -11.567 0.361 1.00 0.00 C ATOM 526 C ALA A 33 14.427 -12.436 0.453 1.00 0.00 C ATOM 527 O ALA A 33 14.001 -12.796 1.531 1.00 0.00 O ATOM 528 CB ALA A 33 15.256 -10.110 0.131 1.00 0.00 C ATOM 0 H ALA A 33 16.643 -11.310 -1.522 1.00 0.00 H new ATOM 0 HA ALA A 33 16.237 -11.678 1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.608 -9.787 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.141 -9.474 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.717 -10.033 -0.813 1.00 0.00 H new ATOM 534 N SER A 34 13.854 -12.749 -0.681 1.00 0.00 N ATOM 535 CA SER A 34 12.628 -13.591 -0.683 1.00 0.00 C ATOM 536 C SER A 34 11.491 -12.916 0.099 1.00 0.00 C ATOM 537 O SER A 34 10.405 -13.448 0.190 1.00 0.00 O ATOM 538 CB SER A 34 12.966 -14.950 -0.035 1.00 0.00 C ATOM 539 OG SER A 34 14.348 -15.127 -0.313 1.00 0.00 O ATOM 0 H SER A 34 14.183 -12.457 -1.601 1.00 0.00 H new ATOM 0 HA SER A 34 12.293 -13.729 -1.711 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.772 -14.940 1.038 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.367 -15.755 -0.460 1.00 0.00 H new ATOM 0 HG SER A 34 14.652 -15.977 0.069 1.00 0.00 H new ATOM 545 N VAL A 35 11.780 -11.752 0.644 1.00 0.00 N ATOM 546 CA VAL A 35 10.753 -10.996 1.427 1.00 0.00 C ATOM 547 C VAL A 35 10.008 -11.871 2.435 1.00 0.00 C ATOM 548 O VAL A 35 8.937 -12.375 2.149 1.00 0.00 O ATOM 549 CB VAL A 35 9.741 -10.420 0.430 1.00 0.00 C ATOM 550 CG1 VAL A 35 8.630 -9.631 1.193 1.00 0.00 C ATOM 551 CG2 VAL A 35 10.488 -9.499 -0.537 1.00 0.00 C ATOM 0 H VAL A 35 12.689 -11.295 0.577 1.00 0.00 H new ATOM 0 HA VAL A 35 11.264 -10.219 1.996 1.00 0.00 H new ATOM 0 HB VAL A 35 9.261 -11.224 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.915 -9.225 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.114 -10.302 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.084 -8.815 1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.785 -9.078 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.962 -8.692 0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.251 -10.070 -1.067 1.00 0.00 H new ATOM 561 N ASN A 36 10.578 -12.006 3.611 1.00 0.00 N ATOM 562 CA ASN A 36 9.927 -12.842 4.665 1.00 0.00 C ATOM 563 C ASN A 36 8.934 -12.012 5.477 1.00 0.00 C ATOM 564 O ASN A 36 8.535 -12.408 6.556 1.00 0.00 O ATOM 565 CB ASN A 36 11.024 -13.352 5.609 1.00 0.00 C ATOM 566 CG ASN A 36 12.014 -14.201 4.811 1.00 0.00 C ATOM 567 OD1 ASN A 36 11.719 -15.314 4.421 1.00 0.00 O ATOM 568 ND2 ASN A 36 13.195 -13.714 4.542 1.00 0.00 N ATOM 0 H ASN A 36 11.461 -11.575 3.883 1.00 0.00 H new ATOM 0 HA ASN A 36 9.392 -13.666 4.193 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.539 -12.512 6.076 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.584 -13.943 6.413 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.865 -14.267 4.007 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.448 -12.781 4.867 1.00 0.00 H new ATOM 575 N PHE A 37 8.549 -10.875 4.930 1.00 0.00 N ATOM 576 CA PHE A 37 7.580 -9.990 5.645 1.00 0.00 C ATOM 577 C PHE A 37 8.040 -9.759 7.089 1.00 0.00 C ATOM 578 O PHE A 37 7.272 -9.816 8.031 1.00 0.00 O ATOM 579 CB PHE A 37 6.175 -10.652 5.604 1.00 0.00 C ATOM 580 CG PHE A 37 5.552 -10.372 4.232 1.00 0.00 C ATOM 581 CD1 PHE A 37 4.973 -9.142 3.967 1.00 0.00 C ATOM 582 CD2 PHE A 37 5.598 -11.325 3.228 1.00 0.00 C ATOM 583 CE1 PHE A 37 4.452 -8.870 2.720 1.00 0.00 C ATOM 584 CE2 PHE A 37 5.074 -11.046 1.980 1.00 0.00 C ATOM 585 CZ PHE A 37 4.503 -9.818 1.729 1.00 0.00 C ATOM 0 H PHE A 37 8.866 -10.529 4.024 1.00 0.00 H new ATOM 0 HA PHE A 37 7.531 -9.018 5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.256 -11.726 5.772 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.543 -10.252 6.397 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.929 -8.391 4.742 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.045 -12.289 3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.002 -7.908 2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.112 -11.792 1.200 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.096 -9.601 0.753 1.00 0.00 H new ATOM 595 N SER A 38 9.306 -9.502 7.214 1.00 0.00 N ATOM 596 CA SER A 38 9.899 -9.256 8.546 1.00 0.00 C ATOM 597 C SER A 38 11.198 -8.493 8.369 1.00 0.00 C ATOM 598 O SER A 38 11.875 -8.170 9.327 1.00 0.00 O ATOM 599 CB SER A 38 10.192 -10.612 9.212 1.00 0.00 C ATOM 600 OG SER A 38 10.399 -10.289 10.580 1.00 0.00 O ATOM 0 H SER A 38 9.964 -9.452 6.436 1.00 0.00 H new ATOM 0 HA SER A 38 9.214 -8.678 9.166 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.360 -11.305 9.088 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.071 -11.088 8.777 1.00 0.00 H new ATOM 0 HG SER A 38 10.928 -9.467 10.646 1.00 0.00 H new ATOM 606 N GLU A 39 11.512 -8.228 7.117 1.00 0.00 N ATOM 607 CA GLU A 39 12.759 -7.485 6.773 1.00 0.00 C ATOM 608 C GLU A 39 12.518 -6.614 5.543 1.00 0.00 C ATOM 609 O GLU A 39 13.302 -5.733 5.238 1.00 0.00 O ATOM 610 CB GLU A 39 13.854 -8.523 6.446 1.00 0.00 C ATOM 611 CG GLU A 39 14.414 -9.095 7.752 1.00 0.00 C ATOM 612 CD GLU A 39 15.601 -10.009 7.435 1.00 0.00 C ATOM 613 OE1 GLU A 39 15.421 -10.848 6.569 1.00 0.00 O ATOM 614 OE2 GLU A 39 16.619 -9.815 8.078 1.00 0.00 O ATOM 0 H GLU A 39 10.945 -8.501 6.314 1.00 0.00 H new ATOM 0 HA GLU A 39 13.060 -6.850 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.441 -9.324 5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.652 -8.057 5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.729 -8.286 8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.641 -9.654 8.279 1.00 0.00 H new ATOM 621 N PHE A 40 11.420 -6.885 4.867 1.00 0.00 N ATOM 622 CA PHE A 40 11.061 -6.114 3.645 1.00 0.00 C ATOM 623 C PHE A 40 10.190 -4.909 3.983 1.00 0.00 C ATOM 624 O PHE A 40 10.527 -3.798 3.652 1.00 0.00 O ATOM 625 CB PHE A 40 10.273 -7.045 2.727 1.00 0.00 C ATOM 626 CG PHE A 40 9.934 -6.315 1.429 1.00 0.00 C ATOM 627 CD1 PHE A 40 10.939 -5.794 0.632 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.616 -6.142 1.045 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.632 -5.113 -0.513 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.313 -5.460 -0.105 1.00 0.00 C ATOM 631 CZ PHE A 40 9.320 -4.941 -0.885 1.00 0.00 C ATOM 0 H PHE A 40 10.756 -7.617 5.120 1.00 0.00 H new ATOM 0 HA PHE A 40 11.972 -5.751 3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.857 -7.940 2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.359 -7.372 3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.972 -5.926 0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.822 -6.546 1.655 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.423 -4.709 -1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.282 -5.330 -0.399 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.080 -4.399 -1.788 1.00 0.00 H new ATOM 641 N SER A 41 9.045 -5.168 4.569 1.00 0.00 N ATOM 642 CA SER A 41 8.138 -4.049 4.939 1.00 0.00 C ATOM 643 C SER A 41 8.896 -3.004 5.730 1.00 0.00 C ATOM 644 O SER A 41 8.599 -1.844 5.652 1.00 0.00 O ATOM 645 CB SER A 41 7.002 -4.609 5.812 1.00 0.00 C ATOM 646 OG SER A 41 6.123 -3.510 5.989 1.00 0.00 O ATOM 0 H SER A 41 8.706 -6.101 4.803 1.00 0.00 H new ATOM 0 HA SER A 41 7.738 -3.591 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.501 -5.445 5.324 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.378 -4.976 6.767 1.00 0.00 H new ATOM 0 HG SER A 41 5.361 -3.786 6.540 1.00 0.00 H new ATOM 652 N LYS A 42 9.856 -3.430 6.498 1.00 0.00 N ATOM 653 CA LYS A 42 10.617 -2.446 7.274 1.00 0.00 C ATOM 654 C LYS A 42 11.273 -1.481 6.298 1.00 0.00 C ATOM 655 O LYS A 42 11.436 -0.306 6.567 1.00 0.00 O ATOM 656 CB LYS A 42 11.702 -3.192 8.080 1.00 0.00 C ATOM 657 CG LYS A 42 12.134 -2.328 9.270 1.00 0.00 C ATOM 658 CD LYS A 42 13.448 -2.878 9.848 1.00 0.00 C ATOM 659 CE LYS A 42 13.298 -4.382 10.119 1.00 0.00 C ATOM 660 NZ LYS A 42 14.360 -4.849 11.054 1.00 0.00 N ATOM 0 H LYS A 42 10.136 -4.404 6.615 1.00 0.00 H new ATOM 0 HA LYS A 42 9.969 -1.898 7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.316 -4.149 8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.560 -3.409 7.443 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.268 -1.294 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.358 -2.329 10.036 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.266 -2.703 9.149 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.699 -2.355 10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.315 -4.585 10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.361 -4.935 9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.246 -5.868 11.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.295 -4.672 10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.282 -4.333 11.954 1.00 0.00 H new ATOM 674 N LYS A 43 11.625 -2.024 5.163 1.00 0.00 N ATOM 675 CA LYS A 43 12.266 -1.229 4.115 1.00 0.00 C ATOM 676 C LYS A 43 11.231 -0.371 3.369 1.00 0.00 C ATOM 677 O LYS A 43 11.397 0.829 3.241 1.00 0.00 O ATOM 678 CB LYS A 43 12.932 -2.230 3.118 1.00 0.00 C ATOM 679 CG LYS A 43 14.310 -1.698 2.682 1.00 0.00 C ATOM 680 CD LYS A 43 15.364 -2.012 3.775 1.00 0.00 C ATOM 681 CE LYS A 43 15.949 -3.418 3.550 1.00 0.00 C ATOM 682 NZ LYS A 43 16.606 -3.914 4.792 1.00 0.00 N ATOM 0 H LYS A 43 11.486 -3.007 4.928 1.00 0.00 H new ATOM 0 HA LYS A 43 13.003 -0.556 4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.042 -3.207 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.293 -2.367 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.605 -2.156 1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.258 -0.623 2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.161 -1.269 3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.906 -1.953 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.157 -4.105 3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.672 -3.391 2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.995 -4.863 4.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.375 -3.267 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.907 -3.958 5.561 1.00 0.00 H new ATOM 696 N CYS A 44 10.173 -1.002 2.889 1.00 0.00 N ATOM 697 CA CYS A 44 9.151 -0.233 2.167 1.00 0.00 C ATOM 698 C CYS A 44 8.623 0.890 3.039 1.00 0.00 C ATOM 699 O CYS A 44 8.298 1.957 2.562 1.00 0.00 O ATOM 700 CB CYS A 44 8.022 -1.187 1.802 1.00 0.00 C ATOM 701 SG CYS A 44 8.494 -2.774 1.084 1.00 0.00 S ATOM 0 H CYS A 44 9.994 -2.002 2.975 1.00 0.00 H new ATOM 0 HA CYS A 44 9.579 0.212 1.269 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.438 -1.382 2.702 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.363 -0.679 1.098 1.00 0.00 H new ATOM 0 HG CYS A 44 8.697 -2.630 -0.192 1.00 0.00 H new ATOM 707 N SER A 45 8.545 0.623 4.299 1.00 0.00 N ATOM 708 CA SER A 45 8.041 1.662 5.234 1.00 0.00 C ATOM 709 C SER A 45 8.915 2.900 5.132 1.00 0.00 C ATOM 710 O SER A 45 8.428 3.999 4.959 1.00 0.00 O ATOM 711 CB SER A 45 8.123 1.114 6.678 1.00 0.00 C ATOM 712 OG SER A 45 8.043 2.272 7.500 1.00 0.00 O ATOM 0 H SER A 45 8.806 -0.265 4.728 1.00 0.00 H new ATOM 0 HA SER A 45 7.011 1.916 4.982 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.308 0.421 6.887 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.053 0.571 6.845 1.00 0.00 H new ATOM 0 HG SER A 45 8.087 2.008 8.443 1.00 0.00 H new ATOM 718 N GLU A 46 10.199 2.694 5.245 1.00 0.00 N ATOM 719 CA GLU A 46 11.128 3.838 5.157 1.00 0.00 C ATOM 720 C GLU A 46 11.111 4.427 3.754 1.00 0.00 C ATOM 721 O GLU A 46 11.729 5.445 3.505 1.00 0.00 O ATOM 722 CB GLU A 46 12.547 3.336 5.468 1.00 0.00 C ATOM 723 CG GLU A 46 12.631 2.944 6.944 1.00 0.00 C ATOM 724 CD GLU A 46 13.936 2.182 7.190 1.00 0.00 C ATOM 725 OE1 GLU A 46 14.967 2.780 6.932 1.00 0.00 O ATOM 726 OE2 GLU A 46 13.827 1.048 7.620 1.00 0.00 O ATOM 0 H GLU A 46 10.636 1.784 5.394 1.00 0.00 H new ATOM 0 HA GLU A 46 10.824 4.607 5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.789 2.480 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.278 4.113 5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.592 3.834 7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.777 2.324 7.217 1.00 0.00 H new ATOM 733 N ARG A 47 10.396 3.746 2.859 1.00 0.00 N ATOM 734 CA ARG A 47 10.285 4.202 1.439 1.00 0.00 C ATOM 735 C ARG A 47 8.891 4.781 1.162 1.00 0.00 C ATOM 736 O ARG A 47 8.659 5.354 0.119 1.00 0.00 O ATOM 737 CB ARG A 47 10.502 2.965 0.529 1.00 0.00 C ATOM 738 CG ARG A 47 10.931 3.424 -0.872 1.00 0.00 C ATOM 739 CD ARG A 47 11.285 2.195 -1.727 1.00 0.00 C ATOM 740 NE ARG A 47 11.068 2.533 -3.160 1.00 0.00 N ATOM 741 CZ ARG A 47 11.927 3.302 -3.775 1.00 0.00 C ATOM 742 NH1 ARG A 47 12.955 3.752 -3.113 1.00 0.00 N ATOM 743 NH2 ARG A 47 11.723 3.596 -5.030 1.00 0.00 N ATOM 0 H ARG A 47 9.886 2.888 3.069 1.00 0.00 H new ATOM 0 HA ARG A 47 11.027 4.977 1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.264 2.314 0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.583 2.382 0.466 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.127 3.989 -1.343 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.790 4.091 -0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.322 1.904 -1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.666 1.345 -1.441 1.00 0.00 H new ATOM 0 HE ARG A 47 10.256 2.168 -3.658 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.079 3.503 -2.132 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.636 4.354 -3.576 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.904 3.227 -5.514 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.382 4.195 -5.527 1.00 0.00 H new ATOM 757 N TRP A 48 7.997 4.616 2.129 1.00 0.00 N ATOM 758 CA TRP A 48 6.594 5.128 1.994 1.00 0.00 C ATOM 759 C TRP A 48 6.384 6.343 2.874 1.00 0.00 C ATOM 760 O TRP A 48 6.076 7.418 2.403 1.00 0.00 O ATOM 761 CB TRP A 48 5.685 3.972 2.470 1.00 0.00 C ATOM 762 CG TRP A 48 4.378 4.477 3.098 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.211 4.643 4.398 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.248 4.644 2.450 1.00 0.00 C ATOM 765 NE1 TRP A 48 2.899 4.905 4.521 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.213 4.921 3.322 1.00 0.00 C ATOM 767 CE3 TRP A 48 3.000 4.563 1.096 1.00 0.00 C ATOM 768 CZ2 TRP A 48 0.931 5.102 2.847 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.710 4.753 0.619 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.679 5.020 1.501 1.00 0.00 C ATOM 0 H TRP A 48 8.191 4.142 3.011 1.00 0.00 H new ATOM 0 HA TRP A 48 6.375 5.429 0.969 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.452 3.324 1.625 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.224 3.365 3.198 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.955 4.582 5.179 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.449 5.077 5.420 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.806 4.353 0.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.125 5.308 3.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.512 4.692 -0.441 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.325 5.164 1.130 1.00 0.00 H new ATOM 781 N LYS A 49 6.541 6.123 4.134 1.00 0.00 N ATOM 782 CA LYS A 49 6.369 7.214 5.124 1.00 0.00 C ATOM 783 C LYS A 49 7.154 8.468 4.708 1.00 0.00 C ATOM 784 O LYS A 49 6.909 9.551 5.202 1.00 0.00 O ATOM 785 CB LYS A 49 6.919 6.684 6.469 1.00 0.00 C ATOM 786 CG LYS A 49 7.051 7.833 7.463 1.00 0.00 C ATOM 787 CD LYS A 49 7.222 7.265 8.879 1.00 0.00 C ATOM 788 CE LYS A 49 8.528 6.463 8.948 1.00 0.00 C ATOM 789 NZ LYS A 49 8.937 6.258 10.366 1.00 0.00 N ATOM 0 H LYS A 49 6.786 5.217 4.534 1.00 0.00 H new ATOM 0 HA LYS A 49 5.318 7.494 5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.252 5.920 6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.889 6.212 6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.907 8.456 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.168 8.470 7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.240 8.075 9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.376 6.626 9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.396 5.498 8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.315 6.990 8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.823 5.714 10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.082 7.181 10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.192 5.736 10.870 1.00 0.00 H new ATOM 803 N THR A 50 8.067 8.280 3.797 1.00 0.00 N ATOM 804 CA THR A 50 8.898 9.410 3.307 1.00 0.00 C ATOM 805 C THR A 50 8.225 10.176 2.166 1.00 0.00 C ATOM 806 O THR A 50 8.392 11.374 2.040 1.00 0.00 O ATOM 807 CB THR A 50 10.203 8.800 2.792 1.00 0.00 C ATOM 808 OG1 THR A 50 10.703 9.693 1.810 1.00 0.00 O ATOM 809 CG2 THR A 50 9.904 7.505 2.030 1.00 0.00 C ATOM 0 H THR A 50 8.274 7.379 3.367 1.00 0.00 H new ATOM 0 HA THR A 50 9.056 10.120 4.119 1.00 0.00 H new ATOM 0 HB THR A 50 10.883 8.621 3.625 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.545 9.344 1.449 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.836 7.074 1.665 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.413 6.796 2.696 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.250 7.722 1.186 1.00 0.00 H new ATOM 817 N MET A 51 7.502 9.469 1.356 1.00 0.00 N ATOM 818 CA MET A 51 6.812 10.122 0.217 1.00 0.00 C ATOM 819 C MET A 51 5.900 11.255 0.675 1.00 0.00 C ATOM 820 O MET A 51 5.734 11.480 1.859 1.00 0.00 O ATOM 821 CB MET A 51 5.966 9.061 -0.506 1.00 0.00 C ATOM 822 CG MET A 51 6.879 7.931 -0.991 1.00 0.00 C ATOM 823 SD MET A 51 6.202 6.759 -2.199 1.00 0.00 S ATOM 824 CE MET A 51 4.596 6.496 -1.405 1.00 0.00 C ATOM 0 H MET A 51 7.357 8.462 1.432 1.00 0.00 H new ATOM 0 HA MET A 51 7.566 10.550 -0.443 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.205 8.666 0.167 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.443 9.510 -1.351 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.770 8.383 -1.426 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.203 7.364 -0.118 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.081 5.667 -1.891 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.745 6.262 -0.351 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.994 7.400 -1.494 1.00 0.00 H new ATOM 834 N SER A 52 5.312 11.945 -0.293 1.00 0.00 N ATOM 835 CA SER A 52 4.396 13.078 0.034 1.00 0.00 C ATOM 836 C SER A 52 2.968 12.583 0.064 1.00 0.00 C ATOM 837 O SER A 52 2.667 11.546 -0.487 1.00 0.00 O ATOM 838 CB SER A 52 4.526 14.139 -1.077 1.00 0.00 C ATOM 839 OG SER A 52 5.922 14.202 -1.331 1.00 0.00 O ATOM 0 H SER A 52 5.434 11.764 -1.289 1.00 0.00 H new ATOM 0 HA SER A 52 4.657 13.498 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.971 13.852 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.135 15.104 -0.755 1.00 0.00 H new ATOM 0 HG SER A 52 6.097 14.860 -2.036 1.00 0.00 H new ATOM 845 N ALA A 53 2.109 13.315 0.709 1.00 0.00 N ATOM 846 CA ALA A 53 0.713 12.868 0.761 1.00 0.00 C ATOM 847 C ALA A 53 0.160 12.722 -0.643 1.00 0.00 C ATOM 848 O ALA A 53 -0.773 11.981 -0.872 1.00 0.00 O ATOM 849 CB ALA A 53 -0.113 13.894 1.516 1.00 0.00 C ATOM 0 H ALA A 53 2.317 14.189 1.193 1.00 0.00 H new ATOM 0 HA ALA A 53 0.666 11.904 1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.152 13.566 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.275 13.999 2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.056 14.855 1.004 1.00 0.00 H new ATOM 855 N LYS A 54 0.747 13.442 -1.566 1.00 0.00 N ATOM 856 CA LYS A 54 0.266 13.351 -2.959 1.00 0.00 C ATOM 857 C LYS A 54 0.407 11.918 -3.441 1.00 0.00 C ATOM 858 O LYS A 54 -0.556 11.302 -3.880 1.00 0.00 O ATOM 859 CB LYS A 54 1.128 14.274 -3.847 1.00 0.00 C ATOM 860 CG LYS A 54 1.358 15.604 -3.120 1.00 0.00 C ATOM 861 CD LYS A 54 1.859 16.651 -4.125 1.00 0.00 C ATOM 862 CE LYS A 54 2.473 17.829 -3.363 1.00 0.00 C ATOM 863 NZ LYS A 54 2.990 18.853 -4.314 1.00 0.00 N ATOM 0 H LYS A 54 1.528 14.079 -1.409 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.779 13.655 -3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.083 13.797 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.630 14.449 -4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.432 15.943 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.087 15.473 -2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.599 16.208 -4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.035 16.996 -4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.725 18.276 -2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.283 17.475 -2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.403 19.645 -3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.719 18.427 -4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.209 19.203 -4.905 1.00 0.00 H new ATOM 877 N GLU A 55 1.607 11.397 -3.346 1.00 0.00 N ATOM 878 CA GLU A 55 1.810 10.014 -3.791 1.00 0.00 C ATOM 879 C GLU A 55 1.027 9.087 -2.893 1.00 0.00 C ATOM 880 O GLU A 55 0.268 8.269 -3.344 1.00 0.00 O ATOM 881 CB GLU A 55 3.299 9.677 -3.687 1.00 0.00 C ATOM 882 CG GLU A 55 4.109 10.744 -4.428 1.00 0.00 C ATOM 883 CD GLU A 55 5.573 10.306 -4.505 1.00 0.00 C ATOM 884 OE1 GLU A 55 6.252 10.511 -3.515 1.00 0.00 O ATOM 885 OE2 GLU A 55 5.928 9.789 -5.552 1.00 0.00 O ATOM 0 H GLU A 55 2.433 11.873 -2.983 1.00 0.00 H new ATOM 0 HA GLU A 55 1.473 9.898 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.602 9.634 -2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.492 8.694 -4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.708 10.890 -5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.030 11.700 -3.911 1.00 0.00 H new ATOM 892 N LYS A 56 1.182 9.255 -1.620 1.00 0.00 N ATOM 893 CA LYS A 56 0.439 8.376 -0.717 1.00 0.00 C ATOM 894 C LYS A 56 -1.049 8.673 -0.877 1.00 0.00 C ATOM 895 O LYS A 56 -1.889 8.074 -0.237 1.00 0.00 O ATOM 896 CB LYS A 56 0.871 8.674 0.730 1.00 0.00 C ATOM 897 CG LYS A 56 2.423 8.563 0.844 1.00 0.00 C ATOM 898 CD LYS A 56 2.949 9.339 2.103 1.00 0.00 C ATOM 899 CE LYS A 56 3.122 8.382 3.299 1.00 0.00 C ATOM 900 NZ LYS A 56 1.796 8.018 3.872 1.00 0.00 N ATOM 0 H LYS A 56 1.781 9.952 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 56 0.637 7.329 -0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.545 9.673 1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.394 7.972 1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.713 7.514 0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.888 8.965 -0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.902 9.815 1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.250 10.134 2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.646 7.481 2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.738 8.854 4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.812 8.162 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.059 8.618 3.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.590 7.020 3.665 1.00 0.00 H new ATOM 914 N GLY A 57 -1.331 9.616 -1.754 1.00 0.00 N ATOM 915 CA GLY A 57 -2.741 10.015 -2.018 1.00 0.00 C ATOM 916 C GLY A 57 -3.461 9.020 -2.939 1.00 0.00 C ATOM 917 O GLY A 57 -4.497 8.502 -2.577 1.00 0.00 O ATOM 0 H GLY A 57 -0.633 10.124 -2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.279 10.088 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.758 11.006 -2.472 1.00 0.00 H new ATOM 921 N LYS A 58 -2.925 8.762 -4.125 1.00 0.00 N ATOM 922 CA LYS A 58 -3.645 7.794 -5.000 1.00 0.00 C ATOM 923 C LYS A 58 -3.590 6.412 -4.370 1.00 0.00 C ATOM 924 O LYS A 58 -4.279 5.507 -4.793 1.00 0.00 O ATOM 925 CB LYS A 58 -3.050 7.815 -6.459 1.00 0.00 C ATOM 926 CG LYS A 58 -1.920 6.781 -6.655 1.00 0.00 C ATOM 927 CD LYS A 58 -0.755 7.113 -5.715 1.00 0.00 C ATOM 928 CE LYS A 58 0.555 6.599 -6.300 1.00 0.00 C ATOM 929 NZ LYS A 58 0.815 7.219 -7.631 1.00 0.00 N ATOM 0 H LYS A 58 -2.065 9.163 -4.499 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.693 8.082 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.847 7.616 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.667 8.812 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.292 5.777 -6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.580 6.790 -7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.696 8.191 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.927 6.663 -4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.377 6.826 -5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.514 5.514 -6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.837 7.369 -7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.468 6.588 -8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.322 8.133 -7.691 1.00 0.00 H new ATOM 943 N PHE A 59 -2.769 6.289 -3.337 1.00 0.00 N ATOM 944 CA PHE A 59 -2.643 4.977 -2.638 1.00 0.00 C ATOM 945 C PHE A 59 -3.738 4.926 -1.605 1.00 0.00 C ATOM 946 O PHE A 59 -4.240 3.877 -1.253 1.00 0.00 O ATOM 947 CB PHE A 59 -1.269 4.908 -1.922 1.00 0.00 C ATOM 948 CG PHE A 59 -0.217 4.280 -2.849 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.374 2.990 -3.322 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.919 4.989 -3.208 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.586 2.423 -4.133 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.873 4.421 -4.018 1.00 0.00 C ATOM 953 CZ PHE A 59 1.708 3.138 -4.480 1.00 0.00 C ATOM 0 H PHE A 59 -2.191 7.040 -2.960 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.720 4.148 -3.341 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.954 5.909 -1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.356 4.320 -1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.254 2.423 -3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.056 5.998 -2.848 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.456 1.414 -4.497 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.753 4.984 -4.292 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.459 2.691 -5.115 1.00 0.00 H new ATOM 963 N GLU A 60 -4.082 6.093 -1.137 1.00 0.00 N ATOM 964 CA GLU A 60 -5.135 6.197 -0.129 1.00 0.00 C ATOM 965 C GLU A 60 -6.447 5.925 -0.824 1.00 0.00 C ATOM 966 O GLU A 60 -7.415 5.514 -0.218 1.00 0.00 O ATOM 967 CB GLU A 60 -5.105 7.656 0.449 1.00 0.00 C ATOM 968 CG GLU A 60 -4.662 7.634 1.921 1.00 0.00 C ATOM 969 CD GLU A 60 -5.831 7.177 2.797 1.00 0.00 C ATOM 970 OE1 GLU A 60 -6.629 6.415 2.280 1.00 0.00 O ATOM 971 OE2 GLU A 60 -5.859 7.617 3.935 1.00 0.00 O ATOM 0 H GLU A 60 -3.666 6.979 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.000 5.488 0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.422 8.273 -0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.093 8.109 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.814 6.961 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.330 8.626 2.227 1.00 0.00 H new ATOM 978 N ASP A 61 -6.436 6.161 -2.106 1.00 0.00 N ATOM 979 CA ASP A 61 -7.650 5.934 -2.904 1.00 0.00 C ATOM 980 C ASP A 61 -7.810 4.452 -3.153 1.00 0.00 C ATOM 981 O ASP A 61 -8.908 3.942 -3.209 1.00 0.00 O ATOM 982 CB ASP A 61 -7.485 6.660 -4.242 1.00 0.00 C ATOM 983 CG ASP A 61 -8.836 6.726 -4.955 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.744 7.268 -4.345 1.00 0.00 O ATOM 985 OD2 ASP A 61 -8.887 6.232 -6.069 1.00 0.00 O ATOM 0 H ASP A 61 -5.630 6.503 -2.629 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.528 6.308 -2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.099 7.666 -4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.758 6.138 -4.864 1.00 0.00 H new ATOM 990 N MET A 62 -6.707 3.779 -3.317 1.00 0.00 N ATOM 991 CA MET A 62 -6.787 2.341 -3.558 1.00 0.00 C ATOM 992 C MET A 62 -7.354 1.674 -2.326 1.00 0.00 C ATOM 993 O MET A 62 -8.270 0.880 -2.418 1.00 0.00 O ATOM 994 CB MET A 62 -5.366 1.806 -3.866 1.00 0.00 C ATOM 995 CG MET A 62 -4.981 2.113 -5.358 1.00 0.00 C ATOM 996 SD MET A 62 -3.395 2.935 -5.656 1.00 0.00 S ATOM 997 CE MET A 62 -2.350 1.464 -5.627 1.00 0.00 C ATOM 0 H MET A 62 -5.766 4.172 -3.292 1.00 0.00 H new ATOM 0 HA MET A 62 -7.436 2.126 -4.407 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.642 2.267 -3.194 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.327 0.732 -3.687 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.981 1.171 -5.907 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.768 2.732 -5.788 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.393 1.688 -6.098 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.183 1.157 -4.595 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.842 0.657 -6.170 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.793 1.992 -1.188 1.00 0.00 N ATOM 1008 CA ALA A 63 -7.303 1.385 0.047 1.00 0.00 C ATOM 1009 C ALA A 63 -8.785 1.710 0.175 1.00 0.00 C ATOM 1010 O ALA A 63 -9.533 0.991 0.809 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.547 1.989 1.246 1.00 0.00 C ATOM 0 H ALA A 63 -6.013 2.640 -1.074 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.160 0.305 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.917 1.546 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.481 1.782 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.707 3.067 1.271 1.00 0.00 H new ATOM 1017 N LYS A 64 -9.186 2.808 -0.445 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.613 3.199 -0.377 1.00 0.00 C ATOM 1019 C LYS A 64 -11.423 2.297 -1.304 1.00 0.00 C ATOM 1020 O LYS A 64 -12.586 2.032 -1.074 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.760 4.679 -0.825 1.00 0.00 C ATOM 1022 CG LYS A 64 -12.000 5.286 -0.159 1.00 0.00 C ATOM 1023 CD LYS A 64 -12.299 6.644 -0.789 1.00 0.00 C ATOM 1024 CE LYS A 64 -13.541 7.238 -0.124 1.00 0.00 C ATOM 1025 NZ LYS A 64 -13.996 8.450 -0.858 1.00 0.00 N ATOM 0 H LYS A 64 -8.585 3.431 -0.983 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.979 3.093 0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.870 5.245 -0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.850 4.736 -1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.854 4.620 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.833 5.398 0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.448 7.313 -0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.462 6.534 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.340 6.497 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.319 7.495 0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.840 8.841 -0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.238 9.162 -0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.228 8.195 -1.839 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.788 1.840 -2.344 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.489 0.967 -3.281 1.00 0.00 C ATOM 1041 C ALA A 65 -11.759 -0.344 -2.602 1.00 0.00 C ATOM 1042 O ALA A 65 -12.858 -0.875 -2.644 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.590 0.745 -4.508 1.00 0.00 C ATOM 0 H ALA A 65 -9.815 2.041 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.432 1.414 -3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.099 0.094 -5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.377 1.704 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.655 0.280 -4.195 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.756 -0.844 -1.970 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.926 -2.113 -1.278 1.00 0.00 C ATOM 1051 C ASP A 66 -11.940 -1.923 -0.170 1.00 0.00 C ATOM 1052 O ASP A 66 -12.491 -2.871 0.336 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.567 -2.545 -0.685 1.00 0.00 C ATOM 1054 CG ASP A 66 -8.770 -3.313 -1.743 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -8.988 -3.017 -2.907 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -7.987 -4.149 -1.326 1.00 0.00 O ATOM 0 H ASP A 66 -9.828 -0.425 -1.906 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.277 -2.883 -1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.007 -1.670 -0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.724 -3.171 0.193 1.00 0.00 H new ATOM 1061 N LYS A 67 -12.159 -0.685 0.211 1.00 0.00 N ATOM 1062 CA LYS A 67 -13.142 -0.455 1.281 1.00 0.00 C ATOM 1063 C LYS A 67 -14.502 -0.864 0.776 1.00 0.00 C ATOM 1064 O LYS A 67 -15.319 -1.367 1.510 1.00 0.00 O ATOM 1065 CB LYS A 67 -13.162 1.036 1.686 1.00 0.00 C ATOM 1066 CG LYS A 67 -13.700 1.163 3.118 1.00 0.00 C ATOM 1067 CD LYS A 67 -14.053 2.625 3.397 1.00 0.00 C ATOM 1068 CE LYS A 67 -14.463 2.771 4.863 1.00 0.00 C ATOM 1069 NZ LYS A 67 -15.110 4.094 5.094 1.00 0.00 N ATOM 0 H LYS A 67 -11.706 0.146 -0.170 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.871 -1.044 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.158 1.456 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.788 1.604 0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.581 0.534 3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.953 0.814 3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.198 3.266 3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.866 2.946 2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.151 1.971 5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.587 2.671 5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.382 4.177 6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.442 4.854 4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.957 4.175 4.497 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.748 -0.621 -0.480 1.00 0.00 N ATOM 1084 CA ALA A 68 -16.054 -1.012 -1.006 1.00 0.00 C ATOM 1085 C ALA A 68 -16.171 -2.507 -0.880 1.00 0.00 C ATOM 1086 O ALA A 68 -17.247 -3.046 -0.705 1.00 0.00 O ATOM 1087 CB ALA A 68 -16.160 -0.602 -2.487 1.00 0.00 C ATOM 0 H ALA A 68 -14.109 -0.179 -1.141 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.854 -0.520 -0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -17.135 -0.895 -2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.044 0.478 -2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.376 -1.099 -3.059 1.00 0.00 H new ATOM 1093 N ARG A 69 -15.033 -3.155 -0.969 1.00 0.00 N ATOM 1094 CA ARG A 69 -15.014 -4.638 -0.857 1.00 0.00 C ATOM 1095 C ARG A 69 -15.029 -5.037 0.626 1.00 0.00 C ATOM 1096 O ARG A 69 -15.456 -6.116 0.978 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.728 -5.183 -1.520 1.00 0.00 C ATOM 1098 CG ARG A 69 -13.529 -4.503 -2.885 1.00 0.00 C ATOM 1099 CD ARG A 69 -14.705 -4.854 -3.812 1.00 0.00 C ATOM 1100 NE ARG A 69 -15.860 -3.971 -3.487 1.00 0.00 N ATOM 1101 CZ ARG A 69 -16.944 -4.033 -4.212 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -16.988 -4.875 -5.207 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -17.944 -3.248 -3.919 1.00 0.00 N ATOM 0 H ARG A 69 -14.123 -2.718 -1.114 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.889 -5.054 -1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.867 -4.995 -0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.801 -6.263 -1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.463 -3.422 -2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.590 -4.830 -3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.414 -4.725 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.984 -5.900 -3.686 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.804 -3.322 -2.702 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.184 -5.470 -5.407 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.826 -4.938 -5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.871 -2.600 -3.135 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.799 -3.282 -4.474 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.558 -4.139 1.471 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.537 -4.436 2.937 1.00 0.00 C ATOM 1119 C TYR A 70 -15.950 -4.426 3.476 1.00 0.00 C ATOM 1120 O TYR A 70 -16.303 -5.212 4.333 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.754 -3.318 3.652 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.812 -3.493 5.177 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -14.918 -3.066 5.888 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -12.727 -3.992 5.870 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -14.936 -3.132 7.265 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -12.748 -4.054 7.251 1.00 0.00 C ATOM 1127 CZ TYR A 70 -13.851 -3.625 7.956 1.00 0.00 C ATOM 1128 OH TYR A 70 -13.866 -3.680 9.332 1.00 0.00 O ATOM 0 H TYR A 70 -14.192 -3.224 1.207 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.076 -5.410 3.104 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.716 -3.327 3.321 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -14.167 -2.347 3.378 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -15.776 -2.677 5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.857 -4.336 5.330 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -15.808 -2.795 7.806 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.892 -4.442 7.782 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.020 -4.056 9.654 1.00 0.00 H new