USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 396 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 34 CYS SG : rot 150:sc= 1.03 USER MOD Set 1.2: A 37 CYS SG : rot -50:sc= 0.323 USER MOD Set 1.3: A 60 CYS SG : rot -133:sc= 0.518 USER MOD Set 1.4: A 63 CYS SG : rot 103:sc= 0.214 USER MOD Set 2.1: A 19 CYS SG : rot 149:sc= 0.394 USER MOD Set 2.2: A 22 CYS SG : rot -55:sc= -0.0524 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -2.94 X(o=-2.6,f=-2.9) USER MOD Set 2.4: A 45 CYS SG : rot 130:sc= 0.0367 USER MOD Single : A 16 SER OG : rot 27:sc= 0.235 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0432 K(o=-0.043,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc=-0.00473 USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= -0.0663 (180deg=-0.567) USER MOD Single : A 40 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.2) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.119 USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 16 10.799 13.814 8.332 1.00 0.00 N ATOM 184 CA SER A 16 11.879 12.996 7.793 1.00 0.00 C ATOM 185 C SER A 16 11.364 11.621 7.378 1.00 0.00 C ATOM 186 O SER A 16 10.170 11.339 7.473 1.00 0.00 O ATOM 187 CB SER A 16 12.997 12.844 8.827 1.00 0.00 C ATOM 188 OG SER A 16 13.339 14.095 9.396 1.00 0.00 O ATOM 0 HA SER A 16 12.276 13.498 6.910 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.679 12.158 9.613 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.875 12.403 8.355 1.00 0.00 H new ATOM 0 HG SER A 16 12.563 14.692 9.363 1.00 0.00 H new ATOM 194 N TYR A 17 12.274 10.770 6.918 1.00 0.00 N ATOM 195 CA TYR A 17 11.913 9.425 6.486 1.00 0.00 C ATOM 196 C TYR A 17 12.806 8.381 7.150 1.00 0.00 C ATOM 197 O TYR A 17 14.009 8.324 6.894 1.00 0.00 O ATOM 198 CB TYR A 17 12.020 9.310 4.964 1.00 0.00 C ATOM 199 CG TYR A 17 11.398 10.472 4.224 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.049 10.772 4.369 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.160 11.270 3.379 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.477 11.833 3.694 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.596 12.334 2.701 1.00 0.00 C ATOM 204 CZ TYR A 17 10.254 12.611 2.862 1.00 0.00 C ATOM 205 OH TYR A 17 9.688 13.669 2.188 1.00 0.00 O ATOM 0 H TYR A 17 13.267 10.988 6.835 1.00 0.00 H new ATOM 0 HA TYR A 17 10.882 9.239 6.787 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.071 9.235 4.687 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.539 8.386 4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.437 10.165 5.020 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.211 11.055 3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.427 12.052 3.817 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.202 12.945 2.049 1.00 0.00 H new ATOM 0 HH TYR A 17 10.372 14.115 1.646 1.00 0.00 H new ATOM 215 N ILE A 18 12.208 7.557 8.003 1.00 0.00 N ATOM 216 CA ILE A 18 12.947 6.514 8.703 1.00 0.00 C ATOM 217 C ILE A 18 12.454 5.127 8.302 1.00 0.00 C ATOM 218 O ILE A 18 11.251 4.863 8.292 1.00 0.00 O ATOM 219 CB ILE A 18 12.827 6.667 10.231 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.114 8.112 10.644 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.778 5.710 10.935 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.489 8.596 10.237 1.00 0.00 C ATOM 0 H ILE A 18 11.213 7.591 8.226 1.00 0.00 H new ATOM 0 HA ILE A 18 13.993 6.622 8.416 1.00 0.00 H new ATOM 0 HB ILE A 18 11.808 6.419 10.528 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.362 8.764 10.200 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.013 8.199 11.726 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.682 5.830 12.014 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.532 4.684 10.660 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.803 5.929 10.636 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.623 9.628 10.562 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.248 7.968 10.702 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.588 8.542 9.153 1.00 0.00 H new ATOM 234 N CYS A 19 13.390 4.244 7.974 1.00 0.00 N ATOM 235 CA CYS A 19 13.053 2.883 7.574 1.00 0.00 C ATOM 236 C CYS A 19 12.194 2.202 8.635 1.00 0.00 C ATOM 237 O CYS A 19 12.256 2.548 9.815 1.00 0.00 O ATOM 238 CB CYS A 19 14.326 2.070 7.333 1.00 0.00 C ATOM 239 SG CYS A 19 14.044 0.482 6.486 1.00 0.00 S ATOM 0 H CYS A 19 14.390 4.447 7.977 1.00 0.00 H new ATOM 0 HA CYS A 19 12.482 2.934 6.647 1.00 0.00 H new ATOM 0 HB2 CYS A 19 15.019 2.667 6.741 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.809 1.878 8.291 1.00 0.00 H new ATOM 0 HG CYS A 19 15.079 0.190 5.756 1.00 0.00 H new ATOM 244 N GLN A 20 11.393 1.232 8.207 1.00 0.00 N ATOM 245 CA GLN A 20 10.521 0.502 9.120 1.00 0.00 C ATOM 246 C GLN A 20 11.037 -0.914 9.350 1.00 0.00 C ATOM 247 O GLN A 20 10.279 -1.809 9.724 1.00 0.00 O ATOM 248 CB GLN A 20 9.095 0.454 8.568 1.00 0.00 C ATOM 249 CG GLN A 20 8.254 1.662 8.949 1.00 0.00 C ATOM 250 CD GLN A 20 7.794 1.621 10.393 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.919 0.598 11.067 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.259 2.736 10.877 1.00 0.00 N ATOM 0 H GLN A 20 11.330 0.933 7.234 1.00 0.00 H new ATOM 0 HA GLN A 20 10.516 1.027 10.075 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.137 0.379 7.481 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.604 -0.449 8.931 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.833 2.570 8.782 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.383 1.714 8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.175 3.561 10.283 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.932 2.767 11.843 1.00 0.00 H new ATOM 261 N VAL A 21 12.332 -1.111 9.125 1.00 0.00 N ATOM 262 CA VAL A 21 12.950 -2.418 9.309 1.00 0.00 C ATOM 263 C VAL A 21 14.242 -2.307 10.113 1.00 0.00 C ATOM 264 O VAL A 21 14.508 -3.123 10.996 1.00 0.00 O ATOM 265 CB VAL A 21 13.256 -3.090 7.958 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.929 -4.437 8.171 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.982 -3.244 7.140 1.00 0.00 C ATOM 0 H VAL A 21 12.974 -0.381 8.815 1.00 0.00 H new ATOM 0 HA VAL A 21 12.235 -3.031 9.858 1.00 0.00 H new ATOM 0 HB VAL A 21 13.943 -2.452 7.402 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.137 -4.896 7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.863 -4.295 8.714 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.269 -5.086 8.747 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.216 -3.721 6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.270 -3.860 7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.547 -2.262 6.956 1.00 0.00 H new ATOM 277 N CYS A 22 15.041 -1.292 9.801 1.00 0.00 N ATOM 278 CA CYS A 22 16.305 -1.073 10.493 1.00 0.00 C ATOM 279 C CYS A 22 16.281 0.243 11.265 1.00 0.00 C ATOM 280 O CYS A 22 17.108 0.471 12.148 1.00 0.00 O ATOM 281 CB CYS A 22 17.463 -1.070 9.494 1.00 0.00 C ATOM 282 SG CYS A 22 17.385 0.276 8.269 1.00 0.00 S ATOM 0 H CYS A 22 14.835 -0.608 9.073 1.00 0.00 H new ATOM 0 HA CYS A 22 16.448 -1.888 11.203 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.402 -0.994 10.043 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.478 -2.025 8.968 1.00 0.00 H new ATOM 0 HG CYS A 22 16.238 0.241 7.658 1.00 0.00 H new ATOM 287 N SER A 23 15.328 1.105 10.926 1.00 0.00 N ATOM 288 CA SER A 23 15.198 2.399 11.584 1.00 0.00 C ATOM 289 C SER A 23 16.426 3.267 11.324 1.00 0.00 C ATOM 290 O SER A 23 17.157 3.621 12.249 1.00 0.00 O ATOM 291 CB SER A 23 15.002 2.212 13.090 1.00 0.00 C ATOM 292 OG SER A 23 14.195 1.080 13.362 1.00 0.00 O ATOM 0 H SER A 23 14.634 0.930 10.199 1.00 0.00 H new ATOM 0 HA SER A 23 14.324 2.903 11.170 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.972 2.096 13.575 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.538 3.103 13.513 1.00 0.00 H new ATOM 0 HG SER A 23 14.086 0.981 14.331 1.00 0.00 H new ATOM 298 N ARG A 24 16.645 3.605 10.057 1.00 0.00 N ATOM 299 CA ARG A 24 17.785 4.430 9.673 1.00 0.00 C ATOM 300 C ARG A 24 17.327 5.661 8.896 1.00 0.00 C ATOM 301 O ARG A 24 16.143 5.817 8.601 1.00 0.00 O ATOM 302 CB ARG A 24 18.768 3.617 8.829 1.00 0.00 C ATOM 303 CG ARG A 24 19.737 2.786 9.655 1.00 0.00 C ATOM 304 CD ARG A 24 20.676 3.666 10.465 1.00 0.00 C ATOM 305 NE ARG A 24 21.710 2.886 11.140 1.00 0.00 N ATOM 306 CZ ARG A 24 22.452 3.357 12.136 1.00 0.00 C ATOM 307 NH1 ARG A 24 22.276 4.597 12.570 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.374 2.587 12.700 1.00 0.00 N ATOM 0 H ARG A 24 16.049 3.321 9.280 1.00 0.00 H new ATOM 0 HA ARG A 24 18.286 4.761 10.583 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.207 2.956 8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.336 4.296 8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.178 2.134 10.326 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.319 2.142 8.996 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.145 4.398 9.807 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.102 4.224 11.205 1.00 0.00 H new ATOM 0 HE ARG A 24 21.871 1.928 10.830 1.00 0.00 H new ATOM 0 HH11 ARG A 24 21.569 5.193 12.139 1.00 0.00 H new ATOM 0 HH12 ARG A 24 22.847 4.956 13.335 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.513 1.632 12.369 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.943 2.950 13.465 1.00 0.00 H new ATOM 322 N GLY A 25 18.276 6.534 8.569 1.00 0.00 N ATOM 323 CA GLY A 25 17.950 7.740 7.830 1.00 0.00 C ATOM 324 C GLY A 25 18.949 8.032 6.728 1.00 0.00 C ATOM 325 O GLY A 25 18.575 8.483 5.645 1.00 0.00 O ATOM 0 H GLY A 25 19.263 6.428 8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.955 7.639 7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.914 8.585 8.517 1.00 0.00 H new ATOM 329 N ASP A 26 20.223 7.777 7.004 1.00 0.00 N ATOM 330 CA ASP A 26 21.280 8.016 6.027 1.00 0.00 C ATOM 331 C ASP A 26 21.042 7.201 4.760 1.00 0.00 C ATOM 332 O ASP A 26 21.549 7.538 3.691 1.00 0.00 O ATOM 333 CB ASP A 26 22.644 7.668 6.625 1.00 0.00 C ATOM 334 CG ASP A 26 23.709 8.686 6.268 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.691 9.792 6.849 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.561 8.377 5.409 1.00 0.00 O ATOM 0 H ASP A 26 20.549 7.405 7.896 1.00 0.00 H new ATOM 0 HA ASP A 26 21.267 9.074 5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.556 7.603 7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 26 22.952 6.684 6.271 1.00 0.00 H new ATOM 341 N GLU A 27 20.270 6.127 4.889 1.00 0.00 N ATOM 342 CA GLU A 27 19.968 5.263 3.753 1.00 0.00 C ATOM 343 C GLU A 27 18.778 5.800 2.962 1.00 0.00 C ATOM 344 O GLU A 27 18.370 5.214 1.960 1.00 0.00 O ATOM 345 CB GLU A 27 19.675 3.839 4.231 1.00 0.00 C ATOM 346 CG GLU A 27 20.924 3.007 4.465 1.00 0.00 C ATOM 347 CD GLU A 27 21.728 2.791 3.197 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.241 3.179 2.114 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.842 2.235 3.287 1.00 0.00 O ATOM 0 H GLU A 27 19.842 5.834 5.768 1.00 0.00 H new ATOM 0 HA GLU A 27 20.840 5.248 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.101 3.886 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.048 3.339 3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.550 3.500 5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.639 2.040 4.879 1.00 0.00 H new ATOM 356 N ASP A 28 18.227 6.919 3.421 1.00 0.00 N ATOM 357 CA ASP A 28 17.085 7.536 2.757 1.00 0.00 C ATOM 358 C ASP A 28 17.348 7.699 1.263 1.00 0.00 C ATOM 359 O ASP A 28 16.418 7.704 0.456 1.00 0.00 O ATOM 360 CB ASP A 28 16.778 8.897 3.385 1.00 0.00 C ATOM 361 CG ASP A 28 17.889 9.903 3.158 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.070 9.530 3.319 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.578 11.064 2.819 1.00 0.00 O ATOM 0 H ASP A 28 18.553 7.417 4.250 1.00 0.00 H new ATOM 0 HA ASP A 28 16.223 6.882 2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.849 9.285 2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.618 8.772 4.456 1.00 0.00 H new ATOM 368 N ASP A 29 18.619 7.833 0.902 1.00 0.00 N ATOM 369 CA ASP A 29 19.004 7.996 -0.495 1.00 0.00 C ATOM 370 C ASP A 29 18.377 6.909 -1.362 1.00 0.00 C ATOM 371 O ASP A 29 18.113 7.119 -2.546 1.00 0.00 O ATOM 372 CB ASP A 29 20.527 7.960 -0.633 1.00 0.00 C ATOM 373 CG ASP A 29 21.138 9.347 -0.669 1.00 0.00 C ATOM 374 OD1 ASP A 29 21.061 10.002 -1.730 1.00 0.00 O ATOM 375 OD2 ASP A 29 21.692 9.778 0.363 1.00 0.00 O ATOM 0 H ASP A 29 19.401 7.832 1.557 1.00 0.00 H new ATOM 0 HA ASP A 29 18.638 8.964 -0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.951 7.401 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.794 7.425 -1.544 1.00 0.00 H new ATOM 380 N LYS A 30 18.140 5.746 -0.765 1.00 0.00 N ATOM 381 CA LYS A 30 17.543 4.625 -1.481 1.00 0.00 C ATOM 382 C LYS A 30 16.281 4.138 -0.776 1.00 0.00 C ATOM 383 O LYS A 30 15.964 2.948 -0.799 1.00 0.00 O ATOM 384 CB LYS A 30 18.548 3.476 -1.601 1.00 0.00 C ATOM 385 CG LYS A 30 19.589 3.691 -2.686 1.00 0.00 C ATOM 386 CD LYS A 30 20.571 2.533 -2.753 1.00 0.00 C ATOM 387 CE LYS A 30 20.761 2.045 -4.181 1.00 0.00 C ATOM 388 NZ LYS A 30 21.088 3.162 -5.110 1.00 0.00 N ATOM 0 H LYS A 30 18.353 5.555 0.214 1.00 0.00 H new ATOM 0 HA LYS A 30 17.271 4.968 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.054 3.345 -0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.008 2.551 -1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.093 3.805 -3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.130 4.618 -2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.532 2.845 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.211 1.713 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.560 1.304 -4.208 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.852 1.546 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.653 2.799 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.208 3.580 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.632 3.888 -4.602 1.00 0.00 H new ATOM 402 N LEU A 31 15.564 5.065 -0.151 1.00 0.00 N ATOM 403 CA LEU A 31 14.334 4.731 0.560 1.00 0.00 C ATOM 404 C LEU A 31 13.139 4.738 -0.387 1.00 0.00 C ATOM 405 O LEU A 31 13.059 5.564 -1.297 1.00 0.00 O ATOM 406 CB LEU A 31 14.099 5.718 1.705 1.00 0.00 C ATOM 407 CG LEU A 31 14.305 5.170 3.117 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.054 6.255 4.153 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.395 3.975 3.363 1.00 0.00 C ATOM 0 H LEU A 31 15.813 6.054 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 31 14.442 3.727 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.766 6.569 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.079 6.096 1.629 1.00 0.00 H new ATOM 0 HG LEU A 31 15.340 4.840 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.205 5.846 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.746 7.081 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.030 6.617 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.555 3.598 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.355 4.281 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.623 3.190 2.642 1.00 0.00 H new ATOM 421 N LEU A 32 12.210 3.815 -0.165 1.00 0.00 N ATOM 422 CA LEU A 32 11.016 3.715 -0.997 1.00 0.00 C ATOM 423 C LEU A 32 9.799 4.283 -0.273 1.00 0.00 C ATOM 424 O LEU A 32 9.715 4.234 0.954 1.00 0.00 O ATOM 425 CB LEU A 32 10.759 2.258 -1.384 1.00 0.00 C ATOM 426 CG LEU A 32 11.564 1.727 -2.571 1.00 0.00 C ATOM 427 CD1 LEU A 32 13.000 1.445 -2.159 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.913 0.473 -3.138 1.00 0.00 C ATOM 0 H LEU A 32 12.260 3.125 0.584 1.00 0.00 H new ATOM 0 HA LEU A 32 11.184 4.300 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.969 1.630 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.699 2.145 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 32 11.575 2.490 -3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.557 1.068 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.463 2.365 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.011 0.700 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.499 0.109 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.871 -0.296 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.902 0.707 -3.472 1.00 0.00 H new ATOM 440 N PHE A 33 8.856 4.819 -1.041 1.00 0.00 N ATOM 441 CA PHE A 33 7.643 5.395 -0.474 1.00 0.00 C ATOM 442 C PHE A 33 6.416 4.583 -0.876 1.00 0.00 C ATOM 443 O PHE A 33 6.230 4.257 -2.049 1.00 0.00 O ATOM 444 CB PHE A 33 7.480 6.847 -0.930 1.00 0.00 C ATOM 445 CG PHE A 33 8.736 7.660 -0.800 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.280 7.925 0.447 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.373 8.160 -1.924 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.434 8.674 0.569 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.529 8.909 -1.808 1.00 0.00 C ATOM 450 CZ PHE A 33 11.060 9.166 -0.559 1.00 0.00 C ATOM 0 H PHE A 33 8.909 4.866 -2.059 1.00 0.00 H new ATOM 0 HA PHE A 33 7.733 5.371 0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.155 6.859 -1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.690 7.317 -0.344 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.796 7.542 1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.961 7.962 -2.903 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.847 8.875 1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 33 11.016 9.293 -2.692 1.00 0.00 H new ATOM 0 HZ PHE A 33 11.963 9.751 -0.465 1.00 0.00 H new ATOM 460 N CYS A 34 5.580 4.259 0.105 1.00 0.00 N ATOM 461 CA CYS A 34 4.371 3.484 -0.144 1.00 0.00 C ATOM 462 C CYS A 34 3.207 4.398 -0.518 1.00 0.00 C ATOM 463 O CYS A 34 3.023 5.460 0.076 1.00 0.00 O ATOM 464 CB CYS A 34 4.007 2.656 1.090 1.00 0.00 C ATOM 465 SG CYS A 34 2.378 1.847 0.989 1.00 0.00 S ATOM 0 H CYS A 34 5.718 4.522 1.081 1.00 0.00 H new ATOM 0 HA CYS A 34 4.566 2.812 -0.980 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.771 1.893 1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.026 3.303 1.967 1.00 0.00 H new ATOM 0 HG CYS A 34 2.401 0.738 1.667 1.00 0.00 H new ATOM 470 N ASP A 35 2.425 3.976 -1.505 1.00 0.00 N ATOM 471 CA ASP A 35 1.278 4.754 -1.958 1.00 0.00 C ATOM 472 C ASP A 35 0.016 4.352 -1.201 1.00 0.00 C ATOM 473 O ASP A 35 -1.041 4.150 -1.799 1.00 0.00 O ATOM 474 CB ASP A 35 1.068 4.566 -3.461 1.00 0.00 C ATOM 475 CG ASP A 35 0.005 5.492 -4.018 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.302 6.690 -4.206 1.00 0.00 O ATOM 477 OD2 ASP A 35 -1.125 5.020 -4.263 1.00 0.00 O ATOM 0 H ASP A 35 2.564 3.099 -2.007 1.00 0.00 H new ATOM 0 HA ASP A 35 1.481 5.806 -1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.009 4.744 -3.981 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.785 3.532 -3.659 1.00 0.00 H new ATOM 482 N GLY A 36 0.133 4.238 0.118 1.00 0.00 N ATOM 483 CA GLY A 36 -1.005 3.859 0.935 1.00 0.00 C ATOM 484 C GLY A 36 -0.849 4.285 2.381 1.00 0.00 C ATOM 485 O GLY A 36 -1.811 4.718 3.016 1.00 0.00 O ATOM 0 H GLY A 36 0.996 4.401 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.909 4.307 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.136 2.778 0.890 1.00 0.00 H new ATOM 489 N CYS A 37 0.367 4.162 2.904 1.00 0.00 N ATOM 490 CA CYS A 37 0.646 4.535 4.286 1.00 0.00 C ATOM 491 C CYS A 37 1.803 5.528 4.357 1.00 0.00 C ATOM 492 O CYS A 37 2.166 5.997 5.436 1.00 0.00 O ATOM 493 CB CYS A 37 0.975 3.292 5.115 1.00 0.00 C ATOM 494 SG CYS A 37 2.487 2.424 4.588 1.00 0.00 S ATOM 0 H CYS A 37 1.174 3.807 2.392 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.245 5.011 4.695 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.082 3.583 6.160 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.135 2.600 5.061 1.00 0.00 H new ATOM 0 HG CYS A 37 2.445 2.218 3.305 1.00 0.00 H new ATOM 499 N ASP A 38 2.377 5.843 3.201 1.00 0.00 N ATOM 500 CA ASP A 38 3.491 6.781 3.132 1.00 0.00 C ATOM 501 C ASP A 38 4.594 6.389 4.110 1.00 0.00 C ATOM 502 O ASP A 38 4.991 7.182 4.963 1.00 0.00 O ATOM 503 CB ASP A 38 3.009 8.202 3.430 1.00 0.00 C ATOM 504 CG ASP A 38 4.043 9.251 3.074 1.00 0.00 C ATOM 505 OD1 ASP A 38 5.097 8.880 2.516 1.00 0.00 O ATOM 506 OD2 ASP A 38 3.800 10.444 3.354 1.00 0.00 O ATOM 0 H ASP A 38 2.089 5.463 2.299 1.00 0.00 H new ATOM 0 HA ASP A 38 3.898 6.748 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.092 8.396 2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.762 8.284 4.488 1.00 0.00 H new ATOM 511 N ASP A 39 5.082 5.161 3.981 1.00 0.00 N ATOM 512 CA ASP A 39 6.139 4.662 4.853 1.00 0.00 C ATOM 513 C ASP A 39 7.488 4.686 4.141 1.00 0.00 C ATOM 514 O ASP A 39 7.583 5.094 2.984 1.00 0.00 O ATOM 515 CB ASP A 39 5.819 3.241 5.317 1.00 0.00 C ATOM 516 CG ASP A 39 4.990 3.219 6.586 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.524 4.298 7.008 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.807 2.124 7.158 1.00 0.00 O ATOM 0 H ASP A 39 4.763 4.492 3.281 1.00 0.00 H new ATOM 0 HA ASP A 39 6.196 5.316 5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.282 2.716 4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.749 2.699 5.485 1.00 0.00 H new ATOM 523 N ASN A 40 8.529 4.247 4.841 1.00 0.00 N ATOM 524 CA ASN A 40 9.873 4.219 4.276 1.00 0.00 C ATOM 525 C ASN A 40 10.478 2.822 4.378 1.00 0.00 C ATOM 526 O ASN A 40 10.597 2.265 5.469 1.00 0.00 O ATOM 527 CB ASN A 40 10.771 5.230 4.992 1.00 0.00 C ATOM 528 CG ASN A 40 10.012 6.466 5.435 1.00 0.00 C ATOM 529 OD1 ASN A 40 9.962 6.785 6.622 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.416 7.168 4.478 1.00 0.00 N ATOM 0 H ASN A 40 8.468 3.906 5.800 1.00 0.00 H new ATOM 0 HA ASN A 40 9.802 4.488 3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.226 4.756 5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.583 5.525 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.890 8.009 4.715 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.484 6.866 3.506 1.00 0.00 H new ATOM 537 N TYR A 41 10.858 2.263 3.235 1.00 0.00 N ATOM 538 CA TYR A 41 11.449 0.931 3.195 1.00 0.00 C ATOM 539 C TYR A 41 12.635 0.889 2.236 1.00 0.00 C ATOM 540 O TYR A 41 12.570 1.419 1.126 1.00 0.00 O ATOM 541 CB TYR A 41 10.402 -0.102 2.775 1.00 0.00 C ATOM 542 CG TYR A 41 9.360 -0.375 3.836 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.603 -1.285 4.858 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.133 0.277 3.818 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.654 -1.538 5.829 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.179 0.032 4.786 1.00 0.00 C ATOM 547 CZ TYR A 41 7.444 -0.877 5.789 1.00 0.00 C ATOM 548 OH TYR A 41 6.495 -1.125 6.755 1.00 0.00 O ATOM 0 H TYR A 41 10.767 2.712 2.323 1.00 0.00 H new ATOM 0 HA TYR A 41 11.806 0.690 4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.904 0.245 1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.905 -1.036 2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.550 -1.803 4.893 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.922 0.988 3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.858 -2.250 6.615 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.231 0.549 4.758 1.00 0.00 H new ATOM 0 HH TYR A 41 5.701 -0.577 6.582 1.00 0.00 H new ATOM 558 N HIS A 42 13.718 0.253 2.671 1.00 0.00 N ATOM 559 CA HIS A 42 14.919 0.139 1.852 1.00 0.00 C ATOM 560 C HIS A 42 14.785 -1.000 0.846 1.00 0.00 C ATOM 561 O HIS A 42 13.840 -1.787 0.908 1.00 0.00 O ATOM 562 CB HIS A 42 16.146 -0.087 2.736 1.00 0.00 C ATOM 563 CG HIS A 42 16.460 1.072 3.632 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.100 0.932 4.846 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.219 2.395 3.485 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.238 2.120 5.407 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.712 3.025 4.601 1.00 0.00 N ATOM 0 H HIS A 42 13.788 -0.191 3.586 1.00 0.00 H new ATOM 0 HA HIS A 42 15.044 1.072 1.303 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.985 -0.975 3.347 1.00 0.00 H new ATOM 0 HB3 HIS A 42 17.009 -0.289 2.101 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.730 2.868 2.646 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.702 2.318 6.362 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.678 4.029 4.779 1.00 0.00 H new ATOM 575 N ILE A 43 15.735 -1.081 -0.079 1.00 0.00 N ATOM 576 CA ILE A 43 15.723 -2.125 -1.096 1.00 0.00 C ATOM 577 C ILE A 43 16.479 -3.362 -0.624 1.00 0.00 C ATOM 578 O ILE A 43 16.570 -4.358 -1.342 1.00 0.00 O ATOM 579 CB ILE A 43 16.343 -1.631 -2.417 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.751 -1.084 -2.171 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.460 -0.568 -3.052 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.642 -1.137 -3.392 1.00 0.00 C ATOM 0 H ILE A 43 16.523 -0.436 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 43 14.679 -2.385 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 43 16.415 -2.473 -3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.676 -0.051 -1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.217 -1.652 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 43 15.912 -0.229 -3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.475 -0.988 -3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.359 0.276 -2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.624 -0.733 -3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.747 -2.171 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.198 -0.545 -4.192 1.00 0.00 H new ATOM 594 N PHE A 44 17.018 -3.293 0.588 1.00 0.00 N ATOM 595 CA PHE A 44 17.766 -4.408 1.158 1.00 0.00 C ATOM 596 C PHE A 44 17.234 -4.768 2.542 1.00 0.00 C ATOM 597 O PHE A 44 17.895 -5.468 3.310 1.00 0.00 O ATOM 598 CB PHE A 44 19.253 -4.061 1.244 1.00 0.00 C ATOM 599 CG PHE A 44 19.519 -2.698 1.817 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.539 -2.500 3.188 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.747 -1.615 0.984 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.784 -1.247 3.719 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.992 -0.360 1.509 1.00 0.00 C ATOM 604 CZ PHE A 44 20.009 -0.176 2.877 1.00 0.00 C ATOM 0 H PHE A 44 16.951 -2.476 1.195 1.00 0.00 H new ATOM 0 HA PHE A 44 17.639 -5.271 0.504 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.757 -4.808 1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.690 -4.119 0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.361 -3.334 3.850 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.733 -1.753 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.799 -1.106 4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.170 0.476 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.198 0.805 3.288 1.00 0.00 H new ATOM 614 N CYS A 45 16.036 -4.285 2.853 1.00 0.00 N ATOM 615 CA CYS A 45 15.415 -4.554 4.145 1.00 0.00 C ATOM 616 C CYS A 45 14.175 -5.428 3.980 1.00 0.00 C ATOM 617 O CYS A 45 13.767 -6.128 4.907 1.00 0.00 O ATOM 618 CB CYS A 45 15.041 -3.242 4.837 1.00 0.00 C ATOM 619 SG CYS A 45 16.422 -2.446 5.718 1.00 0.00 S ATOM 0 H CYS A 45 15.476 -3.705 2.228 1.00 0.00 H new ATOM 0 HA CYS A 45 16.135 -5.090 4.763 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.652 -2.549 4.091 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.235 -3.434 5.545 1.00 0.00 H new ATOM 0 HG CYS A 45 16.502 -1.198 5.362 1.00 0.00 H new ATOM 624 N LEU A 46 13.578 -5.381 2.794 1.00 0.00 N ATOM 625 CA LEU A 46 12.384 -6.167 2.506 1.00 0.00 C ATOM 626 C LEU A 46 12.722 -7.651 2.398 1.00 0.00 C ATOM 627 O LEU A 46 13.830 -8.072 2.734 1.00 0.00 O ATOM 628 CB LEU A 46 11.732 -5.686 1.209 1.00 0.00 C ATOM 629 CG LEU A 46 11.529 -4.175 1.080 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.472 -3.767 -0.383 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.263 -3.744 1.806 1.00 0.00 C ATOM 0 H LEU A 46 13.902 -4.806 2.016 1.00 0.00 H new ATOM 0 HA LEU A 46 11.683 -6.031 3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.343 -6.023 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.761 -6.173 1.111 1.00 0.00 H new ATOM 0 HG LEU A 46 12.378 -3.672 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.327 -2.689 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.406 -4.041 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.642 -4.278 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.134 -2.666 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.403 -4.255 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.344 -4.001 2.862 1.00 0.00 H new ATOM 643 N LEU A 47 11.762 -8.438 1.926 1.00 0.00 N ATOM 644 CA LEU A 47 11.958 -9.875 1.771 1.00 0.00 C ATOM 645 C LEU A 47 10.812 -10.499 0.981 1.00 0.00 C ATOM 646 O LEU A 47 9.702 -10.675 1.484 1.00 0.00 O ATOM 647 CB LEU A 47 12.073 -10.545 3.141 1.00 0.00 C ATOM 648 CG LEU A 47 13.116 -11.657 3.260 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.672 -11.718 4.674 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.514 -12.997 2.863 1.00 0.00 C ATOM 0 H LEU A 47 10.840 -8.105 1.644 1.00 0.00 H new ATOM 0 HA LEU A 47 12.884 -10.033 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.304 -9.778 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.099 -10.958 3.404 1.00 0.00 H new ATOM 0 HG LEU A 47 13.937 -11.434 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.413 -12.515 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.141 -10.766 4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.862 -11.917 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.270 -13.777 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.675 -13.227 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.165 -12.948 1.831 1.00 0.00 H new ATOM 662 N PRO A 48 11.085 -10.845 -0.286 1.00 0.00 N ATOM 663 CA PRO A 48 12.403 -10.640 -0.896 1.00 0.00 C ATOM 664 C PRO A 48 12.711 -9.165 -1.128 1.00 0.00 C ATOM 665 O PRO A 48 11.821 -8.353 -1.384 1.00 0.00 O ATOM 666 CB PRO A 48 12.294 -11.381 -2.231 1.00 0.00 C ATOM 667 CG PRO A 48 10.838 -11.385 -2.545 1.00 0.00 C ATOM 668 CD PRO A 48 10.129 -11.462 -1.221 1.00 0.00 C ATOM 0 HA PRO A 48 13.209 -11.001 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.866 -10.878 -3.011 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.685 -12.396 -2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.553 -10.484 -3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.577 -12.234 -3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.182 -10.923 -1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.904 -12.492 -0.945 1.00 0.00 H new ATOM 676 N PRO A 49 14.001 -8.808 -1.039 1.00 0.00 N ATOM 677 CA PRO A 49 14.456 -7.429 -1.238 1.00 0.00 C ATOM 678 C PRO A 49 14.330 -6.980 -2.690 1.00 0.00 C ATOM 679 O PRO A 49 13.914 -7.752 -3.555 1.00 0.00 O ATOM 680 CB PRO A 49 15.927 -7.477 -0.818 1.00 0.00 C ATOM 681 CG PRO A 49 16.335 -8.894 -1.028 1.00 0.00 C ATOM 682 CD PRO A 49 15.114 -9.723 -0.738 1.00 0.00 C ATOM 0 HA PRO A 49 13.859 -6.717 -0.668 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.532 -6.798 -1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.051 -7.179 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.681 -9.053 -2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.157 -9.166 -0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.078 -10.617 -1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.091 -10.056 0.300 1.00 0.00 H new ATOM 690 N LEU A 50 14.692 -5.729 -2.951 1.00 0.00 N ATOM 691 CA LEU A 50 14.621 -5.178 -4.300 1.00 0.00 C ATOM 692 C LEU A 50 16.003 -4.761 -4.792 1.00 0.00 C ATOM 693 O LEU A 50 16.919 -4.511 -4.008 1.00 0.00 O ATOM 694 CB LEU A 50 13.672 -3.978 -4.332 1.00 0.00 C ATOM 695 CG LEU A 50 12.178 -4.303 -4.317 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.355 -3.027 -4.247 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.797 -5.120 -5.543 1.00 0.00 C ATOM 0 H LEU A 50 15.038 -5.077 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 50 14.239 -5.954 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.894 -3.342 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.887 -3.394 -5.227 1.00 0.00 H new ATOM 0 HG LEU A 50 11.964 -4.898 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.294 -3.278 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.607 -2.481 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.573 -2.406 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.730 -5.342 -5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.026 -4.552 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.361 -6.052 -5.549 1.00 0.00 H new ATOM 709 N PRO A 51 16.159 -4.681 -6.122 1.00 0.00 N ATOM 710 CA PRO A 51 17.426 -4.291 -6.748 1.00 0.00 C ATOM 711 C PRO A 51 17.756 -2.820 -6.523 1.00 0.00 C ATOM 712 O PRO A 51 18.892 -2.471 -6.203 1.00 0.00 O ATOM 713 CB PRO A 51 17.185 -4.564 -8.235 1.00 0.00 C ATOM 714 CG PRO A 51 15.708 -4.466 -8.403 1.00 0.00 C ATOM 715 CD PRO A 51 15.111 -4.964 -7.116 1.00 0.00 C ATOM 0 HA PRO A 51 18.272 -4.838 -6.331 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.704 -3.837 -8.860 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.552 -5.550 -8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.405 -3.438 -8.602 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.371 -5.066 -9.248 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.181 -4.447 -6.878 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.881 -6.028 -7.165 1.00 0.00 H new ATOM 723 N GLU A 52 16.755 -1.961 -6.691 1.00 0.00 N ATOM 724 CA GLU A 52 16.941 -0.527 -6.505 1.00 0.00 C ATOM 725 C GLU A 52 15.599 0.201 -6.511 1.00 0.00 C ATOM 726 O GLU A 52 14.550 -0.411 -6.718 1.00 0.00 O ATOM 727 CB GLU A 52 17.844 0.039 -7.603 1.00 0.00 C ATOM 728 CG GLU A 52 17.334 -0.228 -9.009 1.00 0.00 C ATOM 729 CD GLU A 52 17.823 0.799 -10.012 1.00 0.00 C ATOM 730 OE1 GLU A 52 18.833 1.475 -9.725 1.00 0.00 O ATOM 731 OE2 GLU A 52 17.195 0.926 -11.084 1.00 0.00 O ATOM 0 H GLU A 52 15.808 -2.233 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 52 17.416 -0.371 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.944 1.115 -7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.840 -0.391 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.655 -1.221 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.244 -0.233 -9.001 1.00 0.00 H new ATOM 738 N ILE A 53 15.641 1.509 -6.280 1.00 0.00 N ATOM 739 CA ILE A 53 14.430 2.319 -6.259 1.00 0.00 C ATOM 740 C ILE A 53 13.596 2.094 -7.515 1.00 0.00 C ATOM 741 O ILE A 53 14.097 2.131 -8.639 1.00 0.00 O ATOM 742 CB ILE A 53 14.759 3.819 -6.137 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.191 4.154 -4.708 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.557 4.659 -6.543 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.074 4.032 -3.695 1.00 0.00 C ATOM 0 H ILE A 53 16.500 2.030 -6.105 1.00 0.00 H new ATOM 0 HA ILE A 53 13.857 2.008 -5.385 1.00 0.00 H new ATOM 0 HB ILE A 53 15.584 4.051 -6.810 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.007 3.491 -4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.583 5.171 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.805 5.717 -6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.290 4.437 -7.576 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.714 4.426 -5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.452 4.284 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.267 4.715 -3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.697 3.009 -3.690 1.00 0.00 H new ATOM 757 N PRO A 54 12.290 1.856 -7.323 1.00 0.00 N ATOM 758 CA PRO A 54 11.356 1.623 -8.429 1.00 0.00 C ATOM 759 C PRO A 54 11.106 2.882 -9.252 1.00 0.00 C ATOM 760 O PRO A 54 11.564 3.968 -8.897 1.00 0.00 O ATOM 761 CB PRO A 54 10.072 1.182 -7.723 1.00 0.00 C ATOM 762 CG PRO A 54 10.161 1.785 -6.364 1.00 0.00 C ATOM 763 CD PRO A 54 11.623 1.798 -6.011 1.00 0.00 C ATOM 0 HA PRO A 54 11.741 0.891 -9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.187 1.533 -8.255 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.002 0.096 -7.670 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.749 2.794 -6.357 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.590 1.203 -5.641 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.879 2.657 -5.392 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.910 0.906 -5.453 1.00 0.00 H new ATOM 771 N ARG A 55 10.377 2.729 -10.353 1.00 0.00 N ATOM 772 CA ARG A 55 10.067 3.854 -11.227 1.00 0.00 C ATOM 773 C ARG A 55 8.686 4.421 -10.913 1.00 0.00 C ATOM 774 O ARG A 55 8.563 5.489 -10.314 1.00 0.00 O ATOM 775 CB ARG A 55 10.132 3.422 -12.693 1.00 0.00 C ATOM 776 CG ARG A 55 11.548 3.229 -13.209 1.00 0.00 C ATOM 777 CD ARG A 55 11.555 2.750 -14.652 1.00 0.00 C ATOM 778 NE ARG A 55 11.638 3.860 -15.597 1.00 0.00 N ATOM 779 CZ ARG A 55 12.750 4.551 -15.823 1.00 0.00 C ATOM 780 NH1 ARG A 55 13.867 4.247 -15.177 1.00 0.00 N ATOM 781 NH2 ARG A 55 12.746 5.548 -16.699 1.00 0.00 N ATOM 0 H ARG A 55 9.990 1.837 -10.661 1.00 0.00 H new ATOM 0 HA ARG A 55 10.809 4.633 -11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.580 2.489 -12.813 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.630 4.170 -13.306 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.095 4.169 -13.134 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.069 2.506 -12.582 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.399 2.078 -14.807 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.650 2.175 -14.847 1.00 0.00 H new ATOM 0 HE ARG A 55 10.796 4.119 -16.112 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.874 3.481 -14.504 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.719 4.780 -15.353 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.889 5.784 -17.199 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.600 6.078 -16.872 1.00 0.00 H new ATOM 795 N GLY A 56 7.648 3.698 -11.323 1.00 0.00 N ATOM 796 CA GLY A 56 6.289 4.146 -11.077 1.00 0.00 C ATOM 797 C GLY A 56 5.934 4.139 -9.604 1.00 0.00 C ATOM 798 O GLY A 56 6.777 4.426 -8.754 1.00 0.00 O ATOM 0 H GLY A 56 7.724 2.811 -11.821 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.165 5.154 -11.473 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.594 3.503 -11.618 1.00 0.00 H new ATOM 802 N ILE A 57 4.682 3.811 -9.300 1.00 0.00 N ATOM 803 CA ILE A 57 4.218 3.769 -7.919 1.00 0.00 C ATOM 804 C ILE A 57 4.599 2.452 -7.251 1.00 0.00 C ATOM 805 O ILE A 57 4.368 1.376 -7.801 1.00 0.00 O ATOM 806 CB ILE A 57 2.691 3.952 -7.833 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.284 5.306 -8.419 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.224 3.831 -6.390 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.787 5.485 -8.544 1.00 0.00 C ATOM 0 H ILE A 57 3.972 3.571 -9.991 1.00 0.00 H new ATOM 0 HA ILE A 57 4.705 4.593 -7.397 1.00 0.00 H new ATOM 0 HB ILE A 57 2.212 3.166 -8.417 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.685 6.100 -7.790 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.739 5.418 -9.403 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.143 3.963 -6.345 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.486 2.846 -6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.708 4.598 -5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.572 6.467 -8.966 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.381 4.712 -9.197 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.328 5.405 -7.559 1.00 0.00 H new ATOM 821 N TRP A 58 5.182 2.546 -6.062 1.00 0.00 N ATOM 822 CA TRP A 58 5.594 1.362 -5.317 1.00 0.00 C ATOM 823 C TRP A 58 4.838 1.259 -3.997 1.00 0.00 C ATOM 824 O TRP A 58 4.612 2.262 -3.321 1.00 0.00 O ATOM 825 CB TRP A 58 7.101 1.397 -5.055 1.00 0.00 C ATOM 826 CG TRP A 58 7.587 0.245 -4.229 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.098 -0.935 -4.688 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.607 0.164 -2.799 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.433 -1.746 -3.631 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.143 -1.094 -2.461 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.227 1.032 -1.772 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.306 -1.503 -1.140 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.388 0.624 -0.462 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.924 -0.633 -0.155 1.00 0.00 C ATOM 0 H TRP A 58 5.380 3.430 -5.593 1.00 0.00 H new ATOM 0 HA TRP A 58 5.358 0.484 -5.919 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.628 1.399 -6.009 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.353 2.329 -4.549 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.221 -1.193 -5.730 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.833 -2.682 -3.705 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.815 2.004 -1.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.719 -2.472 -0.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.095 1.286 0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.038 -0.921 0.879 1.00 0.00 H new ATOM 845 N ARG A 59 4.450 0.040 -3.636 1.00 0.00 N ATOM 846 CA ARG A 59 3.719 -0.193 -2.397 1.00 0.00 C ATOM 847 C ARG A 59 4.506 -1.108 -1.464 1.00 0.00 C ATOM 848 O ARG A 59 5.406 -1.829 -1.898 1.00 0.00 O ATOM 849 CB ARG A 59 2.350 -0.808 -2.695 1.00 0.00 C ATOM 850 CG ARG A 59 1.195 0.166 -2.526 1.00 0.00 C ATOM 851 CD ARG A 59 -0.061 -0.539 -2.037 1.00 0.00 C ATOM 852 NE ARG A 59 -1.173 -0.387 -2.972 1.00 0.00 N ATOM 853 CZ ARG A 59 -1.305 -1.107 -4.080 1.00 0.00 C ATOM 854 NH1 ARG A 59 -0.400 -2.025 -4.390 1.00 0.00 N ATOM 855 NH2 ARG A 59 -2.345 -0.911 -4.880 1.00 0.00 N ATOM 0 H ARG A 59 4.630 -0.801 -4.184 1.00 0.00 H new ATOM 0 HA ARG A 59 3.579 0.768 -1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.347 -1.189 -3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.193 -1.662 -2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.475 0.945 -1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.991 0.658 -3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.150 -1.599 -1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.347 -0.137 -1.065 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.887 0.310 -2.762 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.400 -2.180 -3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.504 -2.577 -5.242 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.044 -0.207 -4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.445 -1.465 -5.731 1.00 0.00 H new ATOM 869 N CYS A 60 4.163 -1.074 -0.181 1.00 0.00 N ATOM 870 CA CYS A 60 4.838 -1.899 0.814 1.00 0.00 C ATOM 871 C CYS A 60 4.057 -3.184 1.075 1.00 0.00 C ATOM 872 O CYS A 60 2.858 -3.277 0.811 1.00 0.00 O ATOM 873 CB CYS A 60 5.011 -1.121 2.120 1.00 0.00 C ATOM 874 SG CYS A 60 3.496 -1.008 3.125 1.00 0.00 S ATOM 0 H CYS A 60 3.421 -0.484 0.195 1.00 0.00 H new ATOM 0 HA CYS A 60 5.821 -2.164 0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.793 -1.596 2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.356 -0.113 1.887 1.00 0.00 H new ATOM 0 HG CYS A 60 3.330 0.218 3.524 1.00 0.00 H new ATOM 879 N PRO A 61 4.752 -4.201 1.607 1.00 0.00 N ATOM 880 CA PRO A 61 4.145 -5.499 1.916 1.00 0.00 C ATOM 881 C PRO A 61 3.174 -5.420 3.090 1.00 0.00 C ATOM 882 O PRO A 61 2.276 -6.251 3.223 1.00 0.00 O ATOM 883 CB PRO A 61 5.347 -6.376 2.275 1.00 0.00 C ATOM 884 CG PRO A 61 6.387 -5.419 2.746 1.00 0.00 C ATOM 885 CD PRO A 61 6.184 -4.161 1.948 1.00 0.00 C ATOM 0 HA PRO A 61 3.554 -5.881 1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.093 -7.098 3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.694 -6.945 1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.284 -5.225 3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.388 -5.822 2.591 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.434 -3.273 2.528 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.809 -4.146 1.055 1.00 0.00 H new ATOM 893 N LYS A 62 3.360 -4.414 3.938 1.00 0.00 N ATOM 894 CA LYS A 62 2.500 -4.225 5.100 1.00 0.00 C ATOM 895 C LYS A 62 1.108 -3.764 4.678 1.00 0.00 C ATOM 896 O LYS A 62 0.144 -3.892 5.434 1.00 0.00 O ATOM 897 CB LYS A 62 3.118 -3.203 6.057 1.00 0.00 C ATOM 898 CG LYS A 62 3.648 -3.816 7.342 1.00 0.00 C ATOM 899 CD LYS A 62 2.553 -3.958 8.385 1.00 0.00 C ATOM 900 CE LYS A 62 2.346 -2.664 9.156 1.00 0.00 C ATOM 901 NZ LYS A 62 0.980 -2.107 8.950 1.00 0.00 N ATOM 0 H LYS A 62 4.099 -3.717 3.842 1.00 0.00 H new ATOM 0 HA LYS A 62 2.407 -5.183 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.932 -2.687 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.369 -2.451 6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.078 -4.795 7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.451 -3.195 7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.621 -4.246 7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.811 -4.758 9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.508 -2.845 10.219 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.088 -1.931 8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.879 -1.225 9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.834 -1.910 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.272 -2.796 9.274 1.00 0.00 H new ATOM 915 N CYS A 63 1.010 -3.229 3.466 1.00 0.00 N ATOM 916 CA CYS A 63 -0.264 -2.750 2.942 1.00 0.00 C ATOM 917 C CYS A 63 -0.851 -3.746 1.946 1.00 0.00 C ATOM 918 O CYS A 63 -2.055 -4.003 1.947 1.00 0.00 O ATOM 919 CB CYS A 63 -0.082 -1.387 2.270 1.00 0.00 C ATOM 920 SG CYS A 63 0.011 0.010 3.436 1.00 0.00 S ATOM 0 H CYS A 63 1.798 -3.116 2.828 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.957 -2.647 3.777 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.828 -1.408 1.671 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.912 -1.219 1.583 1.00 0.00 H new ATOM 0 HG CYS A 63 1.249 0.387 3.564 1.00 0.00 H new ATOM 925 N ILE A 64 0.007 -4.302 1.098 1.00 0.00 N ATOM 926 CA ILE A 64 -0.426 -5.270 0.098 1.00 0.00 C ATOM 927 C ILE A 64 -0.906 -6.561 0.754 1.00 0.00 C ATOM 928 O ILE A 64 -1.950 -7.104 0.390 1.00 0.00 O ATOM 929 CB ILE A 64 0.705 -5.601 -0.893 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.186 -4.330 -1.595 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.234 -6.629 -1.911 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.579 -4.449 -2.173 1.00 0.00 C ATOM 0 H ILE A 64 1.006 -4.099 1.083 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.252 -4.812 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 64 1.541 -6.025 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.489 -4.081 -2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.165 -3.503 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.045 -6.852 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.064 -7.542 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.617 -6.230 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.854 -3.511 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.287 -4.667 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.601 -5.254 -2.907 1.00 0.00 H new ATOM 944 N LEU A 65 -0.138 -7.045 1.724 1.00 0.00 N ATOM 945 CA LEU A 65 -0.486 -8.272 2.433 1.00 0.00 C ATOM 946 C LEU A 65 -1.760 -8.086 3.251 1.00 0.00 C ATOM 947 O LEU A 65 -2.391 -9.058 3.664 1.00 0.00 O ATOM 948 CB LEU A 65 0.664 -8.698 3.349 1.00 0.00 C ATOM 949 CG LEU A 65 1.972 -9.074 2.652 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.112 -9.138 3.656 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.825 -10.403 1.924 1.00 0.00 C ATOM 0 H LEU A 65 0.728 -6.608 2.037 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.662 -9.053 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.867 -7.885 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.333 -9.551 3.942 1.00 0.00 H new ATOM 0 HG LEU A 65 2.205 -8.303 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.035 -9.407 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.232 -8.165 4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.887 -9.888 4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.765 -10.655 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.568 -11.184 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.036 -10.323 1.176 1.00 0.00 H new ATOM 963 N ALA A 66 -2.132 -6.830 3.479 1.00 0.00 N ATOM 964 CA ALA A 66 -3.333 -6.517 4.243 1.00 0.00 C ATOM 965 C ALA A 66 -4.557 -6.444 3.337 1.00 0.00 C ATOM 966 O ALA A 66 -5.589 -7.051 3.623 1.00 0.00 O ATOM 967 CB ALA A 66 -3.153 -5.207 4.996 1.00 0.00 C ATOM 0 H ALA A 66 -1.619 -6.014 3.146 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.494 -7.319 4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.058 -4.986 5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.309 -5.294 5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.963 -4.402 4.286 1.00 0.00 H new ATOM 973 N GLU A 67 -4.435 -5.697 2.244 1.00 0.00 N ATOM 974 CA GLU A 67 -5.534 -5.545 1.297 1.00 0.00 C ATOM 975 C GLU A 67 -5.782 -6.845 0.538 1.00 0.00 C ATOM 976 O GLU A 67 -6.912 -7.144 0.150 1.00 0.00 O ATOM 977 CB GLU A 67 -5.233 -4.414 0.311 1.00 0.00 C ATOM 978 CG GLU A 67 -5.321 -3.029 0.928 1.00 0.00 C ATOM 979 CD GLU A 67 -6.747 -2.617 1.238 1.00 0.00 C ATOM 980 OE1 GLU A 67 -7.634 -2.869 0.396 1.00 0.00 O ATOM 981 OE2 GLU A 67 -6.976 -2.044 2.324 1.00 0.00 O ATOM 0 H GLU A 67 -3.587 -5.188 1.993 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.434 -5.297 1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.233 -4.557 -0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.931 -4.476 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.733 -3.006 1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.877 -2.303 0.247 1.00 0.00 H new ATOM 988 N CYS A 68 -4.719 -7.613 0.329 1.00 0.00 N ATOM 989 CA CYS A 68 -4.819 -8.881 -0.385 1.00 0.00 C ATOM 990 C CYS A 68 -5.818 -9.810 0.296 1.00 0.00 C ATOM 991 O CYS A 68 -6.412 -9.461 1.316 1.00 0.00 O ATOM 992 CB CYS A 68 -3.449 -9.555 -0.465 1.00 0.00 C ATOM 993 SG CYS A 68 -2.487 -9.101 -1.928 1.00 0.00 S ATOM 0 H CYS A 68 -3.777 -7.380 0.644 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.173 -8.674 -1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.877 -9.298 0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.587 -10.636 -0.455 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.344 -9.720 -1.905 1.00 0.00 H new