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= 0.881 USER MOD Set 1.2: A 37 CYS SG : rot -52:sc= 0.353 USER MOD Set 1.3: A 60 CYS SG : rot -132:sc= 0.371 USER MOD Set 1.4: A 63 CYS SG : rot 104:sc= 0.232 USER MOD Set 2.1: A 19 CYS SG : rot 149:sc= 0.331 USER MOD Set 2.2: A 22 CYS SG : rot -55:sc= -0.122 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -3.09 X(o=-2.8,f=-3.2) USER MOD Set 2.4: A 45 CYS SG : rot 128:sc= 0.0532 USER MOD Single : A 16 SER OG : rot 35:sc= 0.0266 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0581 K(o=-0.058,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= -0.0518 (180deg=-0.446) USER MOD Single : A 40 ASN : amide:sc= -1.78 K(o=-1.8,f=-3) 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 USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 16 10.825 13.750 8.154 1.00 0.00 N ATOM 184 CA SER A 16 11.914 12.787 8.043 1.00 0.00 C ATOM 185 C SER A 16 11.391 11.425 7.597 1.00 0.00 C ATOM 186 O SER A 16 10.199 11.138 7.709 1.00 0.00 O ATOM 187 CB SER A 16 12.642 12.653 9.382 1.00 0.00 C ATOM 188 OG SER A 16 13.261 13.874 9.750 1.00 0.00 O ATOM 0 HA SER A 16 12.614 13.152 7.291 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.935 12.352 10.155 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.394 11.867 9.314 1.00 0.00 H new ATOM 0 HG SER A 16 12.704 14.625 9.455 1.00 0.00 H new ATOM 194 N TYR A 17 12.292 10.590 7.091 1.00 0.00 N ATOM 195 CA TYR A 17 11.922 9.258 6.626 1.00 0.00 C ATOM 196 C TYR A 17 12.801 8.192 7.272 1.00 0.00 C ATOM 197 O TYR A 17 14.003 8.122 7.014 1.00 0.00 O ATOM 198 CB TYR A 17 12.039 9.177 5.103 1.00 0.00 C ATOM 199 CG TYR A 17 11.432 10.361 4.385 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.095 10.695 4.563 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.195 11.145 3.528 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.536 11.776 3.908 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.644 12.228 2.871 1.00 0.00 C ATOM 204 CZ TYR A 17 10.314 12.539 3.064 1.00 0.00 C ATOM 205 OH TYR A 17 9.762 13.617 2.410 1.00 0.00 O ATOM 0 H TYR A 17 13.283 10.812 6.992 1.00 0.00 H new ATOM 0 HA TYR A 17 10.887 9.074 6.915 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.092 9.099 4.832 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.552 8.265 4.758 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.482 10.100 5.224 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.236 10.904 3.373 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.495 12.022 4.057 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.251 12.828 2.210 1.00 0.00 H new ATOM 0 HH TYR A 17 10.445 14.048 1.855 1.00 0.00 H new ATOM 215 N ILE A 18 12.192 7.363 8.113 1.00 0.00 N ATOM 216 CA ILE A 18 12.918 6.298 8.795 1.00 0.00 C ATOM 217 C ILE A 18 12.403 4.926 8.376 1.00 0.00 C ATOM 218 O ILE A 18 11.201 4.665 8.408 1.00 0.00 O ATOM 219 CB ILE A 18 12.804 6.431 10.326 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.106 7.867 10.759 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.748 5.456 11.013 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.474 8.352 10.334 1.00 0.00 C ATOM 0 H ILE A 18 11.198 7.408 8.339 1.00 0.00 H new ATOM 0 HA ILE A 18 13.965 6.394 8.506 1.00 0.00 H new ATOM 0 HB ILE A 18 11.783 6.189 10.622 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.349 8.530 10.342 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.026 7.935 11.844 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.656 5.561 12.094 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.491 4.437 10.725 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.774 5.670 10.713 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.619 9.377 10.675 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.239 7.712 10.773 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.551 8.317 9.247 1.00 0.00 H new ATOM 234 N CYS A 19 13.323 4.050 7.983 1.00 0.00 N ATOM 235 CA CYS A 19 12.964 2.703 7.558 1.00 0.00 C ATOM 236 C CYS A 19 12.094 2.015 8.607 1.00 0.00 C ATOM 237 O CYS A 19 12.154 2.346 9.791 1.00 0.00 O ATOM 238 CB CYS A 19 14.224 1.874 7.301 1.00 0.00 C ATOM 239 SG CYS A 19 13.919 0.315 6.408 1.00 0.00 S ATOM 0 H CYS A 19 14.323 4.250 7.950 1.00 0.00 H new ATOM 0 HA CYS A 19 12.393 2.781 6.633 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.931 2.475 6.730 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.698 1.647 8.256 1.00 0.00 H new ATOM 0 HG CYS A 19 14.955 0.023 5.679 1.00 0.00 H new ATOM 244 N GLN A 20 11.288 1.056 8.163 1.00 0.00 N ATOM 245 CA GLN A 20 10.407 0.322 9.063 1.00 0.00 C ATOM 246 C GLN A 20 10.901 -1.106 9.265 1.00 0.00 C ATOM 247 O GLN A 20 10.133 -1.994 9.636 1.00 0.00 O ATOM 248 CB GLN A 20 8.979 0.307 8.513 1.00 0.00 C ATOM 249 CG GLN A 20 8.164 1.529 8.902 1.00 0.00 C ATOM 250 CD GLN A 20 7.720 1.497 10.352 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.664 0.435 10.972 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.402 2.664 10.900 1.00 0.00 N ATOM 0 H GLN A 20 11.227 0.769 7.186 1.00 0.00 H new ATOM 0 HA GLN A 20 10.412 0.828 10.028 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.018 0.238 7.426 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.470 -0.588 8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.757 2.427 8.727 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.287 1.596 8.259 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.463 3.520 10.349 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.097 2.704 11.872 1.00 0.00 H new ATOM 261 N VAL A 21 12.190 -1.321 9.019 1.00 0.00 N ATOM 262 CA VAL A 21 12.788 -2.642 9.174 1.00 0.00 C ATOM 263 C VAL A 21 14.078 -2.569 9.984 1.00 0.00 C ATOM 264 O VAL A 21 14.327 -3.406 10.852 1.00 0.00 O ATOM 265 CB VAL A 21 13.088 -3.287 7.808 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.740 -4.648 7.992 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.815 -3.403 6.983 1.00 0.00 C ATOM 0 H VAL A 21 12.840 -0.597 8.712 1.00 0.00 H new ATOM 0 HA VAL A 21 12.062 -3.258 9.706 1.00 0.00 H new ATOM 0 HB VAL A 21 13.786 -2.647 7.269 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.945 -5.088 7.016 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.675 -4.533 8.541 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.069 -5.300 8.551 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.045 -3.861 6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.092 -4.021 7.515 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.395 -2.410 6.821 1.00 0.00 H new ATOM 277 N CYS A 22 14.895 -1.562 9.695 1.00 0.00 N ATOM 278 CA CYS A 22 16.160 -1.379 10.395 1.00 0.00 C ATOM 279 C CYS A 22 16.154 -0.081 11.198 1.00 0.00 C ATOM 280 O CYS A 22 16.979 0.112 12.091 1.00 0.00 O ATOM 281 CB CYS A 22 17.322 -1.370 9.399 1.00 0.00 C ATOM 282 SG CYS A 22 17.269 0.006 8.207 1.00 0.00 S ATOM 0 H CYS A 22 14.703 -0.860 8.980 1.00 0.00 H new ATOM 0 HA CYS A 22 16.289 -2.213 11.085 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.260 -1.322 9.952 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.324 -2.312 8.850 1.00 0.00 H new ATOM 0 HG CYS A 22 16.124 0.004 7.592 1.00 0.00 H new ATOM 287 N SER A 23 15.218 0.805 10.873 1.00 0.00 N ATOM 288 CA SER A 23 15.106 2.086 11.561 1.00 0.00 C ATOM 289 C SER A 23 16.350 2.938 11.328 1.00 0.00 C ATOM 290 O SER A 23 17.081 3.258 12.265 1.00 0.00 O ATOM 291 CB SER A 23 14.898 1.867 13.061 1.00 0.00 C ATOM 292 OG SER A 23 14.051 0.757 13.301 1.00 0.00 O ATOM 0 H SER A 23 14.526 0.659 10.138 1.00 0.00 H new ATOM 0 HA SER A 23 14.243 2.614 11.155 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.861 1.705 13.545 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.464 2.763 13.506 1.00 0.00 H new ATOM 0 HG SER A 23 13.935 0.637 14.267 1.00 0.00 H new ATOM 298 N ARG A 24 16.583 3.303 10.071 1.00 0.00 N ATOM 299 CA ARG A 24 17.738 4.117 9.713 1.00 0.00 C ATOM 300 C ARG A 24 17.304 5.388 8.989 1.00 0.00 C ATOM 301 O ARG A 24 16.114 5.617 8.775 1.00 0.00 O ATOM 302 CB ARG A 24 18.698 3.317 8.830 1.00 0.00 C ATOM 303 CG ARG A 24 19.673 2.456 9.616 1.00 0.00 C ATOM 304 CD ARG A 24 20.720 3.302 10.323 1.00 0.00 C ATOM 305 NE ARG A 24 21.575 2.501 11.194 1.00 0.00 N ATOM 306 CZ ARG A 24 21.185 2.027 12.373 1.00 0.00 C ATOM 307 NH1 ARG A 24 19.960 2.272 12.818 1.00 0.00 N ATOM 308 NH2 ARG A 24 22.021 1.305 13.108 1.00 0.00 N ATOM 0 H ARG A 24 15.987 3.048 9.284 1.00 0.00 H new ATOM 0 HA ARG A 24 18.251 4.400 10.632 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.118 2.679 8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.261 4.007 8.201 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.127 1.863 10.350 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.165 1.754 8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.335 3.812 9.581 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.225 4.074 10.912 1.00 0.00 H new ATOM 0 HE ARG A 24 22.523 2.294 10.881 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.314 2.826 12.255 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.664 1.907 13.723 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.964 1.113 12.768 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.721 0.942 14.013 1.00 0.00 H new ATOM 322 N GLY A 25 18.278 6.211 8.614 1.00 0.00 N ATOM 323 CA GLY A 25 17.976 7.449 7.919 1.00 0.00 C ATOM 324 C GLY A 25 18.966 7.748 6.810 1.00 0.00 C ATOM 325 O GLY A 25 18.584 8.207 5.734 1.00 0.00 O ATOM 0 H GLY A 25 19.270 6.043 8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.972 7.391 7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.976 8.272 8.633 1.00 0.00 H new ATOM 329 N ASP A 26 20.242 7.489 7.074 1.00 0.00 N ATOM 330 CA ASP A 26 21.291 7.733 6.090 1.00 0.00 C ATOM 331 C ASP A 26 21.040 6.930 4.817 1.00 0.00 C ATOM 332 O ASP A 26 21.536 7.277 3.746 1.00 0.00 O ATOM 333 CB ASP A 26 22.659 7.376 6.672 1.00 0.00 C ATOM 334 CG ASP A 26 23.757 8.299 6.181 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.553 9.530 6.210 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.819 7.790 5.765 1.00 0.00 O ATOM 0 H ASP A 26 20.575 7.110 7.961 1.00 0.00 H new ATOM 0 HA ASP A 26 21.278 8.793 5.837 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.610 7.421 7.760 1.00 0.00 H new ATOM 0 HB3 ASP A 26 22.907 6.348 6.406 1.00 0.00 H new ATOM 341 N GLU A 27 20.269 5.855 4.945 1.00 0.00 N ATOM 342 CA GLU A 27 19.955 5.002 3.804 1.00 0.00 C ATOM 343 C GLU A 27 18.779 5.565 3.011 1.00 0.00 C ATOM 344 O GLU A 27 18.361 4.989 2.006 1.00 0.00 O ATOM 345 CB GLU A 27 19.633 3.582 4.275 1.00 0.00 C ATOM 346 CG GLU A 27 20.866 2.726 4.513 1.00 0.00 C ATOM 347 CD GLU A 27 21.627 2.430 3.236 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.002 2.455 2.155 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.846 2.174 3.317 1.00 0.00 O ATOM 0 H GLU A 27 19.851 5.554 5.825 1.00 0.00 H new ATOM 0 HA GLU A 27 20.829 4.973 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.055 3.636 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.001 3.096 3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.526 3.235 5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.567 1.787 4.979 1.00 0.00 H new ATOM 356 N ASP A 28 18.249 6.694 3.471 1.00 0.00 N ATOM 357 CA ASP A 28 17.122 7.336 2.805 1.00 0.00 C ATOM 358 C ASP A 28 17.387 7.485 1.310 1.00 0.00 C ATOM 359 O ASP A 28 16.457 7.509 0.504 1.00 0.00 O ATOM 360 CB ASP A 28 16.849 8.707 3.426 1.00 0.00 C ATOM 361 CG ASP A 28 17.993 9.678 3.210 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.156 9.286 3.440 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.725 10.830 2.810 1.00 0.00 O ATOM 0 H ASP A 28 18.582 7.183 4.302 1.00 0.00 H new ATOM 0 HA ASP A 28 16.244 6.704 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.938 9.122 2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.673 8.590 4.495 1.00 0.00 H new ATOM 368 N ASP A 29 18.661 7.585 0.947 1.00 0.00 N ATOM 369 CA ASP A 29 19.049 7.732 -0.451 1.00 0.00 C ATOM 370 C ASP A 29 18.399 6.653 -1.311 1.00 0.00 C ATOM 371 O ASP A 29 18.147 6.858 -2.499 1.00 0.00 O ATOM 372 CB ASP A 29 20.570 7.665 -0.590 1.00 0.00 C ATOM 373 CG ASP A 29 21.269 8.791 0.145 1.00 0.00 C ATOM 374 OD1 ASP A 29 20.570 9.699 0.641 1.00 0.00 O ATOM 375 OD2 ASP A 29 22.516 8.765 0.225 1.00 0.00 O ATOM 0 H ASP A 29 19.443 7.567 1.602 1.00 0.00 H new ATOM 0 HA ASP A 29 18.703 8.706 -0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.925 6.709 -0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.837 7.703 -1.646 1.00 0.00 H new ATOM 380 N LYS A 30 18.129 5.502 -0.704 1.00 0.00 N ATOM 381 CA LYS A 30 17.508 4.389 -1.413 1.00 0.00 C ATOM 382 C LYS A 30 16.225 3.949 -0.716 1.00 0.00 C ATOM 383 O LYS A 30 15.868 2.770 -0.738 1.00 0.00 O ATOM 384 CB LYS A 30 18.481 3.212 -1.508 1.00 0.00 C ATOM 385 CG LYS A 30 19.582 3.413 -2.534 1.00 0.00 C ATOM 386 CD LYS A 30 20.542 2.235 -2.561 1.00 0.00 C ATOM 387 CE LYS A 30 20.823 1.777 -3.984 1.00 0.00 C ATOM 388 NZ LYS A 30 21.238 2.909 -4.858 1.00 0.00 N ATOM 0 H LYS A 30 18.331 5.316 0.278 1.00 0.00 H new ATOM 0 HA LYS A 30 17.256 4.725 -2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.933 3.046 -0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.923 2.310 -1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.140 3.546 -3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.132 4.326 -2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.477 2.515 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.122 1.409 -1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.607 1.020 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.931 1.307 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.837 2.551 -5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.394 3.366 -5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.774 3.602 -4.297 1.00 0.00 H new ATOM 402 N LEU A 31 15.535 4.901 -0.100 1.00 0.00 N ATOM 403 CA LEU A 31 14.289 4.611 0.602 1.00 0.00 C ATOM 404 C LEU A 31 13.100 4.673 -0.351 1.00 0.00 C ATOM 405 O LEU A 31 13.039 5.532 -1.231 1.00 0.00 O ATOM 406 CB LEU A 31 14.088 5.599 1.752 1.00 0.00 C ATOM 407 CG LEU A 31 14.283 5.038 3.161 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.049 6.120 4.204 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.353 3.857 3.398 1.00 0.00 C ATOM 0 H LEU A 31 15.816 5.881 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 31 14.354 3.601 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.779 6.431 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.080 6.007 1.682 1.00 0.00 H new ATOM 0 HG LEU A 31 15.312 4.690 3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.192 5.702 5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.755 6.935 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.031 6.499 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.505 3.470 4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.318 4.181 3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.568 3.073 2.672 1.00 0.00 H new ATOM 421 N LEU A 32 12.154 3.758 -0.168 1.00 0.00 N ATOM 422 CA LEU A 32 10.964 3.709 -1.010 1.00 0.00 C ATOM 423 C LEU A 32 9.760 4.303 -0.286 1.00 0.00 C ATOM 424 O LEU A 32 9.714 4.332 0.944 1.00 0.00 O ATOM 425 CB LEU A 32 10.665 2.266 -1.421 1.00 0.00 C ATOM 426 CG LEU A 32 11.551 1.685 -2.524 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.952 1.418 -1.998 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.937 0.410 -3.085 1.00 0.00 C ATOM 0 H LEU A 32 12.188 3.040 0.556 1.00 0.00 H new ATOM 0 HA LEU A 32 11.157 4.303 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.755 1.632 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.627 2.210 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 32 11.621 2.416 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.568 1.005 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.392 2.351 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.902 0.707 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.581 0.010 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.836 -0.326 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.954 0.632 -3.501 1.00 0.00 H new ATOM 440 N PHE A 33 8.786 4.774 -1.057 1.00 0.00 N ATOM 441 CA PHE A 33 7.580 5.367 -0.489 1.00 0.00 C ATOM 442 C PHE A 33 6.340 4.582 -0.907 1.00 0.00 C ATOM 443 O PHE A 33 6.122 4.328 -2.092 1.00 0.00 O ATOM 444 CB PHE A 33 7.447 6.826 -0.930 1.00 0.00 C ATOM 445 CG PHE A 33 8.721 7.611 -0.799 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.424 7.621 0.395 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.215 8.339 -1.869 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.597 8.342 0.519 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.388 9.061 -1.751 1.00 0.00 C ATOM 450 CZ PHE A 33 11.079 9.063 -0.555 1.00 0.00 C ATOM 0 H PHE A 33 8.808 4.757 -2.077 1.00 0.00 H new ATOM 0 HA PHE A 33 7.663 5.330 0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.117 6.855 -1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.670 7.307 -0.336 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.051 7.059 1.239 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.678 8.343 -2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.136 8.341 1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.764 9.623 -2.593 1.00 0.00 H new ATOM 0 HZ PHE A 33 11.995 9.628 -0.460 1.00 0.00 H new ATOM 460 N CYS A 34 5.531 4.200 0.075 1.00 0.00 N ATOM 461 CA CYS A 34 4.313 3.444 -0.188 1.00 0.00 C ATOM 462 C CYS A 34 3.172 4.372 -0.595 1.00 0.00 C ATOM 463 O CYS A 34 3.005 5.452 -0.028 1.00 0.00 O ATOM 464 CB CYS A 34 3.911 2.637 1.049 1.00 0.00 C ATOM 465 SG CYS A 34 2.280 1.836 0.917 1.00 0.00 S ATOM 0 H CYS A 34 5.697 4.402 1.061 1.00 0.00 H new ATOM 0 HA CYS A 34 4.512 2.759 -1.012 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.666 1.872 1.232 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.910 3.298 1.916 1.00 0.00 H new ATOM 0 HG CYS A 34 2.274 0.744 1.623 1.00 0.00 H new ATOM 470 N ASP A 35 2.392 3.945 -1.581 1.00 0.00 N ATOM 471 CA ASP A 35 1.267 4.736 -2.064 1.00 0.00 C ATOM 472 C ASP A 35 -0.013 4.375 -1.316 1.00 0.00 C ATOM 473 O ASP A 35 -1.067 4.189 -1.923 1.00 0.00 O ATOM 474 CB ASP A 35 1.072 4.522 -3.566 1.00 0.00 C ATOM 475 CG ASP A 35 0.038 5.461 -4.155 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.053 6.659 -3.802 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.786 4.998 -4.971 1.00 0.00 O ATOM 0 H ASP A 35 2.518 3.054 -2.062 1.00 0.00 H new ATOM 0 HA ASP A 35 1.489 5.787 -1.881 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.024 4.667 -4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.767 3.491 -3.747 1.00 0.00 H new ATOM 482 N GLY A 36 0.088 4.276 0.006 1.00 0.00 N ATOM 483 CA GLY A 36 -1.068 3.936 0.815 1.00 0.00 C ATOM 484 C GLY A 36 -0.910 4.364 2.260 1.00 0.00 C ATOM 485 O GLY A 36 -1.866 4.822 2.887 1.00 0.00 O ATOM 0 H GLY A 36 0.950 4.425 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.955 4.410 0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.232 2.859 0.774 1.00 0.00 H new ATOM 489 N CYS A 37 0.298 4.212 2.792 1.00 0.00 N ATOM 490 CA CYS A 37 0.578 4.584 4.174 1.00 0.00 C ATOM 491 C CYS A 37 1.747 5.561 4.248 1.00 0.00 C ATOM 492 O CYS A 37 2.103 6.040 5.325 1.00 0.00 O ATOM 493 CB CYS A 37 0.887 3.338 5.006 1.00 0.00 C ATOM 494 SG CYS A 37 2.407 2.467 4.506 1.00 0.00 S ATOM 0 H CYS A 37 1.099 3.834 2.287 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.308 5.073 4.579 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.974 3.626 6.054 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.046 2.649 4.934 1.00 0.00 H new ATOM 0 HG CYS A 37 2.373 2.234 3.227 1.00 0.00 H new ATOM 499 N ASP A 38 2.341 5.853 3.096 1.00 0.00 N ATOM 500 CA ASP A 38 3.469 6.775 3.029 1.00 0.00 C ATOM 501 C ASP A 38 4.554 6.379 4.026 1.00 0.00 C ATOM 502 O ASP A 38 4.938 7.171 4.886 1.00 0.00 O ATOM 503 CB ASP A 38 3.004 8.205 3.303 1.00 0.00 C ATOM 504 CG ASP A 38 4.108 9.223 3.097 1.00 0.00 C ATOM 505 OD1 ASP A 38 4.373 9.583 1.931 1.00 0.00 O ATOM 506 OD2 ASP A 38 4.708 9.659 4.102 1.00 0.00 O ATOM 0 H ASP A 38 2.060 5.464 2.196 1.00 0.00 H new ATOM 0 HA ASP A 38 3.888 6.725 2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.167 8.444 2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.636 8.274 4.327 1.00 0.00 H new ATOM 511 N ASP A 39 5.041 5.149 3.905 1.00 0.00 N ATOM 512 CA ASP A 39 6.082 4.649 4.796 1.00 0.00 C ATOM 513 C ASP A 39 7.440 4.652 4.101 1.00 0.00 C ATOM 514 O ASP A 39 7.554 5.048 2.942 1.00 0.00 O ATOM 515 CB ASP A 39 5.741 3.234 5.269 1.00 0.00 C ATOM 516 CG ASP A 39 4.897 3.233 6.529 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.211 4.245 6.784 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.924 2.221 7.260 1.00 0.00 O ATOM 0 H ASP A 39 4.732 4.480 3.199 1.00 0.00 H new ATOM 0 HA ASP A 39 6.135 5.311 5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.208 2.708 4.477 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.663 2.683 5.452 1.00 0.00 H new ATOM 523 N ASN A 40 8.467 4.210 4.820 1.00 0.00 N ATOM 524 CA ASN A 40 9.818 4.164 4.273 1.00 0.00 C ATOM 525 C ASN A 40 10.391 2.752 4.354 1.00 0.00 C ATOM 526 O ASN A 40 10.482 2.170 5.435 1.00 0.00 O ATOM 527 CB ASN A 40 10.728 5.139 5.023 1.00 0.00 C ATOM 528 CG ASN A 40 9.993 6.388 5.470 1.00 0.00 C ATOM 529 OD1 ASN A 40 9.954 6.706 6.659 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.406 7.102 4.517 1.00 0.00 N ATOM 0 H ASN A 40 8.389 3.879 5.782 1.00 0.00 H new ATOM 0 HA ASN A 40 9.768 4.457 3.224 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.152 4.639 5.894 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.562 5.422 4.380 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.897 7.952 4.757 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.465 6.800 3.544 1.00 0.00 H new ATOM 537 N TYR A 41 10.774 2.208 3.205 1.00 0.00 N ATOM 538 CA TYR A 41 11.336 0.864 3.146 1.00 0.00 C ATOM 539 C TYR A 41 12.514 0.808 2.178 1.00 0.00 C ATOM 540 O TYR A 41 12.441 1.322 1.061 1.00 0.00 O ATOM 541 CB TYR A 41 10.264 -0.141 2.720 1.00 0.00 C ATOM 542 CG TYR A 41 9.219 -0.398 3.782 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.409 -1.376 4.750 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.041 0.339 3.817 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.456 -1.614 5.721 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.083 0.109 4.786 1.00 0.00 C ATOM 547 CZ TYR A 41 7.295 -0.869 5.736 1.00 0.00 C ATOM 548 OH TYR A 41 6.344 -1.103 6.703 1.00 0.00 O ATOM 0 H TYR A 41 10.706 2.677 2.302 1.00 0.00 H new ATOM 0 HA TYR A 41 11.694 0.603 4.142 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.772 0.225 1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.745 -1.084 2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.317 -1.960 4.743 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.872 1.104 3.074 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.619 -2.380 6.465 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.174 0.691 4.800 1.00 0.00 H new ATOM 0 HH TYR A 41 5.588 -0.493 6.573 1.00 0.00 H new ATOM 558 N HIS A 42 13.601 0.179 2.615 1.00 0.00 N ATOM 559 CA HIS A 42 14.796 0.053 1.788 1.00 0.00 C ATOM 560 C HIS A 42 14.632 -1.064 0.763 1.00 0.00 C ATOM 561 O HIS A 42 13.597 -1.730 0.716 1.00 0.00 O ATOM 562 CB HIS A 42 16.021 -0.217 2.663 1.00 0.00 C ATOM 563 CG HIS A 42 16.357 0.913 3.587 1.00 0.00 C ATOM 564 ND1 HIS A 42 16.994 0.731 4.797 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.143 2.245 3.473 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.155 1.902 5.387 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.648 2.837 4.604 1.00 0.00 N ATOM 0 H HIS A 42 13.679 -0.251 3.537 1.00 0.00 H new ATOM 0 HA HIS A 42 14.940 0.993 1.255 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.845 -1.117 3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.879 -0.418 2.021 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.664 2.748 2.646 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.622 2.067 6.347 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.634 3.837 4.807 1.00 0.00 H new ATOM 575 N ILE A 43 15.659 -1.264 -0.057 1.00 0.00 N ATOM 576 CA ILE A 43 15.628 -2.301 -1.081 1.00 0.00 C ATOM 577 C ILE A 43 16.288 -3.583 -0.585 1.00 0.00 C ATOM 578 O ILE A 43 16.138 -4.645 -1.190 1.00 0.00 O ATOM 579 CB ILE A 43 16.332 -1.839 -2.371 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.788 -1.470 -2.079 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.593 -0.659 -2.984 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.643 -1.358 -3.321 1.00 0.00 C ATOM 0 H ILE A 43 16.522 -0.722 -0.032 1.00 0.00 H new ATOM 0 HA ILE A 43 14.579 -2.497 -1.300 1.00 0.00 H new ATOM 0 HB ILE A 43 16.322 -2.660 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.814 -0.521 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.219 -2.221 -1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.102 -0.344 -3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.571 -0.954 -3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.575 0.168 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.662 -1.094 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.648 -2.313 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.236 -0.586 -3.974 1.00 0.00 H new ATOM 594 N PHE A 44 17.019 -3.476 0.520 1.00 0.00 N ATOM 595 CA PHE A 44 17.702 -4.627 1.098 1.00 0.00 C ATOM 596 C PHE A 44 17.100 -4.994 2.451 1.00 0.00 C ATOM 597 O PHE A 44 17.688 -5.755 3.220 1.00 0.00 O ATOM 598 CB PHE A 44 19.196 -4.335 1.255 1.00 0.00 C ATOM 599 CG PHE A 44 19.483 -3.011 1.903 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.607 -1.862 1.137 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.627 -2.914 3.277 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.872 -0.643 1.732 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.891 -1.697 3.877 1.00 0.00 C ATOM 604 CZ PHE A 44 20.013 -0.560 3.103 1.00 0.00 C ATOM 0 H PHE A 44 17.153 -2.604 1.033 1.00 0.00 H new ATOM 0 HA PHE A 44 17.573 -5.472 0.421 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.653 -5.127 1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.668 -4.360 0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.495 -1.920 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.532 -3.800 3.887 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.969 0.245 1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.002 -1.636 4.950 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.218 0.392 3.569 1.00 0.00 H new ATOM 614 N CYS A 45 15.922 -4.448 2.735 1.00 0.00 N ATOM 615 CA CYS A 45 15.239 -4.715 3.995 1.00 0.00 C ATOM 616 C CYS A 45 13.979 -5.545 3.765 1.00 0.00 C ATOM 617 O CYS A 45 13.506 -6.239 4.666 1.00 0.00 O ATOM 618 CB CYS A 45 14.877 -3.402 4.692 1.00 0.00 C ATOM 619 SG CYS A 45 16.259 -2.637 5.600 1.00 0.00 S ATOM 0 H CYS A 45 15.421 -3.818 2.109 1.00 0.00 H new ATOM 0 HA CYS A 45 15.916 -5.283 4.633 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.511 -2.696 3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.057 -3.586 5.387 1.00 0.00 H new ATOM 0 HG CYS A 45 16.386 -1.397 5.232 1.00 0.00 H new ATOM 624 N LEU A 46 13.441 -5.469 2.553 1.00 0.00 N ATOM 625 CA LEU A 46 12.236 -6.214 2.202 1.00 0.00 C ATOM 626 C LEU A 46 12.527 -7.708 2.110 1.00 0.00 C ATOM 627 O LEU A 46 13.600 -8.168 2.502 1.00 0.00 O ATOM 628 CB LEU A 46 11.670 -5.710 0.874 1.00 0.00 C ATOM 629 CG LEU A 46 11.597 -4.192 0.708 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.374 -3.824 -0.751 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.493 -3.612 1.580 1.00 0.00 C ATOM 0 H LEU A 46 13.820 -4.899 1.796 1.00 0.00 H new ATOM 0 HA LEU A 46 11.498 -6.054 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.279 -6.115 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.666 -6.117 0.752 1.00 0.00 H new ATOM 0 HG LEU A 46 12.548 -3.765 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.325 -2.740 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.199 -4.206 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.438 -4.263 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.456 -2.531 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.536 -4.046 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.696 -3.844 2.626 1.00 0.00 H new ATOM 643 N LEU A 47 11.566 -8.462 1.588 1.00 0.00 N ATOM 644 CA LEU A 47 11.719 -9.905 1.441 1.00 0.00 C ATOM 645 C LEU A 47 10.583 -10.492 0.610 1.00 0.00 C ATOM 646 O LEU A 47 9.449 -10.627 1.071 1.00 0.00 O ATOM 647 CB LEU A 47 11.760 -10.575 2.816 1.00 0.00 C ATOM 648 CG LEU A 47 12.758 -11.723 2.974 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.260 -11.800 4.407 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.125 -13.042 2.556 1.00 0.00 C ATOM 0 H LEU A 47 10.672 -8.098 1.259 1.00 0.00 H new ATOM 0 HA LEU A 47 12.659 -10.095 0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.991 -9.814 3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.763 -10.953 3.044 1.00 0.00 H new ATOM 0 HG LEU A 47 13.610 -11.530 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.969 -12.623 4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.753 -10.864 4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.418 -11.968 5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.850 -13.847 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.254 -13.242 3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.817 -12.983 1.512 1.00 0.00 H new ATOM 662 N PRO A 48 10.892 -10.851 -0.645 1.00 0.00 N ATOM 663 CA PRO A 48 12.238 -10.694 -1.205 1.00 0.00 C ATOM 664 C PRO A 48 12.605 -9.231 -1.429 1.00 0.00 C ATOM 665 O PRO A 48 11.755 -8.389 -1.718 1.00 0.00 O ATOM 666 CB PRO A 48 12.155 -11.435 -2.541 1.00 0.00 C ATOM 667 CG PRO A 48 10.712 -11.390 -2.910 1.00 0.00 C ATOM 668 CD PRO A 48 9.951 -11.438 -1.614 1.00 0.00 C ATOM 0 HA PRO A 48 13.006 -11.080 -0.535 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.773 -10.954 -3.299 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.508 -12.462 -2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.480 -10.481 -3.466 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.446 -12.232 -3.550 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.024 -10.867 -1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.681 -12.459 -1.344 1.00 0.00 H new ATOM 676 N PRO A 49 13.903 -8.918 -1.292 1.00 0.00 N ATOM 677 CA PRO A 49 14.412 -7.556 -1.477 1.00 0.00 C ATOM 678 C PRO A 49 14.356 -7.109 -2.933 1.00 0.00 C ATOM 679 O PRO A 49 14.057 -7.902 -3.826 1.00 0.00 O ATOM 680 CB PRO A 49 15.864 -7.654 -1.002 1.00 0.00 C ATOM 681 CG PRO A 49 16.230 -9.085 -1.194 1.00 0.00 C ATOM 682 CD PRO A 49 14.972 -9.871 -0.948 1.00 0.00 C ATOM 0 HA PRO A 49 13.819 -6.821 -0.932 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.515 -6.998 -1.580 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.960 -7.358 0.043 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.608 -9.259 -2.201 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.018 -9.383 -0.502 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.929 -10.765 -1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.899 -10.200 0.089 1.00 0.00 H new ATOM 690 N LEU A 50 14.647 -5.834 -3.167 1.00 0.00 N ATOM 691 CA LEU A 50 14.630 -5.280 -4.516 1.00 0.00 C ATOM 692 C LEU A 50 16.027 -4.838 -4.941 1.00 0.00 C ATOM 693 O LEU A 50 16.911 -4.611 -4.115 1.00 0.00 O ATOM 694 CB LEU A 50 13.663 -4.097 -4.591 1.00 0.00 C ATOM 695 CG LEU A 50 12.188 -4.446 -4.784 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.322 -3.203 -4.653 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.969 -5.110 -6.136 1.00 0.00 C ATOM 0 H LEU A 50 14.898 -5.164 -2.440 1.00 0.00 H new ATOM 0 HA LEU A 50 14.293 -6.060 -5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.761 -3.515 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.973 -3.452 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 50 11.897 -5.150 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.275 -3.472 -4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.455 -2.770 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.614 -2.475 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.913 -5.351 -6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.278 -4.430 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.559 -6.025 -6.192 1.00 0.00 H new ATOM 709 N PRO A 51 16.232 -4.711 -6.260 1.00 0.00 N ATOM 710 CA PRO A 51 17.518 -4.292 -6.825 1.00 0.00 C ATOM 711 C PRO A 51 17.829 -2.828 -6.536 1.00 0.00 C ATOM 712 O PRO A 51 18.965 -2.476 -6.219 1.00 0.00 O ATOM 713 CB PRO A 51 17.335 -4.513 -8.328 1.00 0.00 C ATOM 714 CG PRO A 51 15.864 -4.418 -8.548 1.00 0.00 C ATOM 715 CD PRO A 51 15.223 -4.965 -7.303 1.00 0.00 C ATOM 0 HA PRO A 51 18.351 -4.849 -6.397 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.871 -3.761 -8.907 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.719 -5.486 -8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.561 -3.385 -8.721 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.563 -4.990 -9.426 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.281 -4.463 -7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 51 15.002 -6.028 -7.398 1.00 0.00 H new ATOM 723 N GLU A 52 16.813 -1.978 -6.646 1.00 0.00 N ATOM 724 CA GLU A 52 16.979 -0.551 -6.397 1.00 0.00 C ATOM 725 C GLU A 52 15.633 0.167 -6.423 1.00 0.00 C ATOM 726 O GLU A 52 14.589 -0.457 -6.617 1.00 0.00 O ATOM 727 CB GLU A 52 17.918 0.064 -7.436 1.00 0.00 C ATOM 728 CG GLU A 52 17.299 0.187 -8.819 1.00 0.00 C ATOM 729 CD GLU A 52 18.280 0.702 -9.854 1.00 0.00 C ATOM 730 OE1 GLU A 52 19.271 -0.003 -10.136 1.00 0.00 O ATOM 731 OE2 GLU A 52 18.057 1.812 -10.382 1.00 0.00 O ATOM 0 H GLU A 52 15.866 -2.253 -6.906 1.00 0.00 H new ATOM 0 HA GLU A 52 17.416 -0.430 -5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.225 1.053 -7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.820 -0.544 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.924 -0.787 -9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.442 0.858 -8.771 1.00 0.00 H new ATOM 738 N ILE A 53 15.666 1.480 -6.225 1.00 0.00 N ATOM 739 CA ILE A 53 14.449 2.283 -6.226 1.00 0.00 C ATOM 740 C ILE A 53 13.619 2.021 -7.478 1.00 0.00 C ATOM 741 O ILE A 53 14.123 2.033 -8.601 1.00 0.00 O ATOM 742 CB ILE A 53 14.767 3.787 -6.141 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.187 4.162 -4.718 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.564 4.609 -6.578 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.057 4.084 -3.715 1.00 0.00 C ATOM 0 H ILE A 53 16.522 2.011 -6.062 1.00 0.00 H new ATOM 0 HA ILE A 53 13.877 1.990 -5.345 1.00 0.00 H new ATOM 0 HB ILE A 53 15.596 4.006 -6.814 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.992 3.500 -4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.590 5.175 -4.722 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.805 5.670 -6.512 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.307 4.359 -7.607 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.717 4.388 -5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.427 4.363 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.260 4.767 -4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.669 3.066 -3.683 1.00 0.00 H new ATOM 757 N PRO A 54 12.314 1.780 -7.283 1.00 0.00 N ATOM 758 CA PRO A 54 11.385 1.512 -8.385 1.00 0.00 C ATOM 759 C PRO A 54 11.128 2.749 -9.240 1.00 0.00 C ATOM 760 O PRO A 54 11.552 3.852 -8.895 1.00 0.00 O ATOM 761 CB PRO A 54 10.101 1.081 -7.670 1.00 0.00 C ATOM 762 CG PRO A 54 10.184 1.719 -6.326 1.00 0.00 C ATOM 763 CD PRO A 54 11.645 1.750 -5.971 1.00 0.00 C ATOM 0 HA PRO A 54 11.776 0.765 -9.075 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.215 1.413 -8.212 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.037 -0.004 -7.590 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.766 2.725 -6.345 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.615 1.152 -5.589 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.895 2.626 -5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.936 0.874 -5.391 1.00 0.00 H new ATOM 771 N ARG A 55 10.432 2.557 -10.355 1.00 0.00 N ATOM 772 CA ARG A 55 10.120 3.657 -11.260 1.00 0.00 C ATOM 773 C ARG A 55 8.738 4.230 -10.962 1.00 0.00 C ATOM 774 O ARG A 55 8.613 5.309 -10.385 1.00 0.00 O ATOM 775 CB ARG A 55 10.186 3.185 -12.713 1.00 0.00 C ATOM 776 CG ARG A 55 11.586 3.229 -13.305 1.00 0.00 C ATOM 777 CD ARG A 55 11.548 3.238 -14.825 1.00 0.00 C ATOM 778 NE ARG A 55 12.786 3.757 -15.400 1.00 0.00 N ATOM 779 CZ ARG A 55 12.901 4.150 -16.664 1.00 0.00 C ATOM 780 NH1 ARG A 55 11.858 4.082 -17.480 1.00 0.00 N ATOM 781 NH2 ARG A 55 14.061 4.612 -17.114 1.00 0.00 N ATOM 0 H ARG A 55 10.073 1.650 -10.654 1.00 0.00 H new ATOM 0 HA ARG A 55 10.861 4.442 -11.107 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.808 2.165 -12.772 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.525 3.806 -13.318 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.106 4.118 -12.948 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.156 2.366 -12.959 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.376 2.225 -15.189 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.709 3.846 -15.163 1.00 0.00 H new ATOM 0 HE ARG A 55 13.607 3.821 -14.798 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.965 3.727 -17.138 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.949 4.384 -18.450 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.866 4.666 -16.489 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.148 4.913 -18.085 1.00 0.00 H new ATOM 795 N GLY A 56 7.701 3.500 -11.362 1.00 0.00 N ATOM 796 CA GLY A 56 6.342 3.952 -11.130 1.00 0.00 C ATOM 797 C GLY A 56 5.977 3.963 -9.659 1.00 0.00 C ATOM 798 O GLY A 56 6.821 4.243 -8.806 1.00 0.00 O ATOM 0 H GLY A 56 7.778 2.604 -11.843 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.222 4.955 -11.538 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.650 3.304 -11.668 1.00 0.00 H new ATOM 802 N ILE A 57 4.718 3.661 -9.360 1.00 0.00 N ATOM 803 CA ILE A 57 4.245 3.638 -7.982 1.00 0.00 C ATOM 804 C ILE A 57 4.631 2.336 -7.290 1.00 0.00 C ATOM 805 O ILE A 57 4.420 1.249 -7.827 1.00 0.00 O ATOM 806 CB ILE A 57 2.717 3.812 -7.909 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.303 5.151 -8.522 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.241 3.714 -6.467 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.807 5.308 -8.678 1.00 0.00 C ATOM 0 H ILE A 57 4.007 3.429 -10.054 1.00 0.00 H new ATOM 0 HA ILE A 57 4.723 4.474 -7.470 1.00 0.00 H new ATOM 0 HB ILE A 57 2.248 3.012 -8.482 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.682 5.960 -7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.775 5.255 -9.499 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.159 3.839 -6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.507 2.738 -6.062 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.716 4.495 -5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.587 6.281 -9.118 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.424 4.521 -9.327 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.330 5.236 -7.701 1.00 0.00 H new ATOM 821 N TRP A 58 5.196 2.453 -6.093 1.00 0.00 N ATOM 822 CA TRP A 58 5.611 1.284 -5.326 1.00 0.00 C ATOM 823 C TRP A 58 4.848 1.200 -4.008 1.00 0.00 C ATOM 824 O TRP A 58 4.611 2.214 -3.352 1.00 0.00 O ATOM 825 CB TRP A 58 7.115 1.333 -5.056 1.00 0.00 C ATOM 826 CG TRP A 58 7.604 0.198 -4.207 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.123 -0.987 -4.644 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.616 0.142 -2.777 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.457 -1.777 -3.570 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.157 -1.107 -2.414 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.225 1.025 -1.767 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.314 -1.492 -1.085 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.381 0.641 -0.449 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.923 -0.608 -0.117 1.00 0.00 C ATOM 0 H TRP A 58 5.377 3.345 -5.633 1.00 0.00 H new ATOM 0 HA TRP A 58 5.384 0.395 -5.914 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.648 1.322 -6.007 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.358 2.275 -4.565 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.252 -1.263 -5.680 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.863 -2.711 -3.625 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.808 1.991 -2.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.730 -2.455 -0.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.080 1.315 0.339 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.034 -0.878 0.923 1.00 0.00 H new ATOM 845 N ARG A 59 4.466 -0.015 -3.627 1.00 0.00 N ATOM 846 CA ARG A 59 3.729 -0.230 -2.388 1.00 0.00 C ATOM 847 C ARG A 59 4.516 -1.127 -1.436 1.00 0.00 C ATOM 848 O ARG A 59 5.420 -1.851 -1.854 1.00 0.00 O ATOM 849 CB ARG A 59 2.364 -0.854 -2.683 1.00 0.00 C ATOM 850 CG ARG A 59 1.205 0.116 -2.529 1.00 0.00 C ATOM 851 CD ARG A 59 -0.047 -0.587 -2.027 1.00 0.00 C ATOM 852 NE ARG A 59 -1.153 -0.478 -2.975 1.00 0.00 N ATOM 853 CZ ARG A 59 -2.400 -0.840 -2.694 1.00 0.00 C ATOM 854 NH1 ARG A 59 -2.698 -1.331 -1.499 1.00 0.00 N ATOM 855 NH2 ARG A 59 -3.352 -0.711 -3.609 1.00 0.00 N ATOM 0 H ARG A 59 4.655 -0.865 -4.159 1.00 0.00 H new ATOM 0 HA ARG A 59 3.582 0.738 -1.909 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.366 -1.246 -3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.209 -1.701 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.482 0.908 -1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.997 0.591 -3.488 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.175 -1.639 -1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.345 -0.157 -1.071 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.957 -0.104 -3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.969 -1.432 -0.793 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.656 -1.608 -1.286 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.127 -0.334 -4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.309 -0.989 -3.392 1.00 0.00 H new ATOM 869 N CYS A 60 4.166 -1.073 -0.155 1.00 0.00 N ATOM 870 CA CYS A 60 4.839 -1.879 0.856 1.00 0.00 C ATOM 871 C CYS A 60 4.073 -3.172 1.119 1.00 0.00 C ATOM 872 O CYS A 60 2.878 -3.283 0.842 1.00 0.00 O ATOM 873 CB CYS A 60 4.984 -1.086 2.156 1.00 0.00 C ATOM 874 SG CYS A 60 3.457 -0.992 3.145 1.00 0.00 S ATOM 0 H CYS A 60 3.420 -0.479 0.207 1.00 0.00 H new ATOM 0 HA CYS A 60 5.830 -2.134 0.481 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.768 -1.541 2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.312 -0.074 1.917 1.00 0.00 H new ATOM 0 HG CYS A 60 3.246 0.240 3.502 1.00 0.00 H new ATOM 879 N PRO A 61 4.775 -4.175 1.668 1.00 0.00 N ATOM 880 CA PRO A 61 4.182 -5.478 1.981 1.00 0.00 C ATOM 881 C PRO A 61 3.197 -5.402 3.143 1.00 0.00 C ATOM 882 O PRO A 61 2.301 -6.237 3.266 1.00 0.00 O ATOM 883 CB PRO A 61 5.391 -6.336 2.361 1.00 0.00 C ATOM 884 CG PRO A 61 6.413 -5.362 2.835 1.00 0.00 C ATOM 885 CD PRO A 61 6.203 -4.113 2.024 1.00 0.00 C ATOM 0 HA PRO A 61 3.606 -5.875 1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.137 -7.054 3.141 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.755 -6.908 1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.295 -5.160 3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.420 -5.754 2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.436 -3.217 2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.838 -4.097 1.138 1.00 0.00 H new ATOM 893 N LYS A 62 3.368 -4.395 3.993 1.00 0.00 N ATOM 894 CA LYS A 62 2.493 -4.208 5.144 1.00 0.00 C ATOM 895 C LYS A 62 1.104 -3.756 4.705 1.00 0.00 C ATOM 896 O LYS A 62 0.136 -3.874 5.456 1.00 0.00 O ATOM 897 CB LYS A 62 3.095 -3.181 6.106 1.00 0.00 C ATOM 898 CG LYS A 62 3.758 -3.803 7.323 1.00 0.00 C ATOM 899 CD LYS A 62 3.557 -2.950 8.564 1.00 0.00 C ATOM 900 CE LYS A 62 4.746 -3.051 9.508 1.00 0.00 C ATOM 901 NZ LYS A 62 4.905 -1.822 10.333 1.00 0.00 N ATOM 0 H LYS A 62 4.105 -3.695 3.906 1.00 0.00 H new ATOM 0 HA LYS A 62 2.398 -5.166 5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.830 -2.580 5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.309 -2.502 6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.347 -4.798 7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.824 -3.927 7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.410 -1.910 8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.652 -3.267 9.082 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.618 -3.913 10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.655 -3.221 8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.726 -1.930 10.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.052 -1.002 9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.048 -1.674 10.903 1.00 0.00 H new ATOM 915 N CYS A 63 1.014 -3.240 3.484 1.00 0.00 N ATOM 916 CA CYS A 63 -0.256 -2.771 2.943 1.00 0.00 C ATOM 917 C CYS A 63 -0.831 -3.779 1.952 1.00 0.00 C ATOM 918 O CYS A 63 -2.033 -4.048 1.951 1.00 0.00 O ATOM 919 CB CYS A 63 -0.074 -1.414 2.260 1.00 0.00 C ATOM 920 SG CYS A 63 -0.039 -0.002 3.409 1.00 0.00 S ATOM 0 H CYS A 63 1.806 -3.136 2.850 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.957 -2.662 3.771 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.855 -1.428 1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.884 -1.267 1.546 1.00 0.00 H new ATOM 0 HG CYS A 63 1.184 0.415 3.547 1.00 0.00 H new ATOM 925 N ILE A 64 0.035 -4.332 1.110 1.00 0.00 N ATOM 926 CA ILE A 64 -0.385 -5.311 0.116 1.00 0.00 C ATOM 927 C ILE A 64 -0.857 -6.601 0.779 1.00 0.00 C ATOM 928 O ILE A 64 -1.895 -7.156 0.415 1.00 0.00 O ATOM 929 CB ILE A 64 0.753 -5.640 -0.868 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.230 -4.368 -1.573 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.293 -6.674 -1.884 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.612 -4.494 -2.176 1.00 0.00 C ATOM 0 H ILE A 64 1.032 -4.118 1.096 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.213 -4.864 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 64 1.589 -6.058 -0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.521 -4.111 -2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.227 -3.544 -0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.109 -6.896 -2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.003 -7.586 -1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.557 -6.282 -2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.885 -3.556 -2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.333 -4.721 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.615 -5.296 -2.914 1.00 0.00 H new ATOM 944 N LEU A 65 -0.089 -7.073 1.755 1.00 0.00 N ATOM 945 CA LEU A 65 -0.429 -8.297 2.472 1.00 0.00 C ATOM 946 C LEU A 65 -1.715 -8.120 3.273 1.00 0.00 C ATOM 947 O LEU A 65 -2.337 -9.096 3.690 1.00 0.00 O ATOM 948 CB LEU A 65 0.715 -8.700 3.403 1.00 0.00 C ATOM 949 CG LEU A 65 2.035 -9.070 2.725 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.161 -9.129 3.745 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.904 -10.399 1.994 1.00 0.00 C ATOM 0 H LEU A 65 0.773 -6.627 2.068 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.587 -9.087 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.902 -7.877 4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.387 -9.549 4.002 1.00 0.00 H new ATOM 0 HG LEU A 65 2.275 -8.298 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.092 -9.394 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.270 -8.156 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.929 -9.880 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.852 -10.647 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.640 -11.181 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.126 -10.322 1.235 1.00 0.00 H new ATOM 963 N ALA A 66 -2.107 -6.867 3.484 1.00 0.00 N ATOM 964 CA ALA A 66 -3.320 -6.562 4.231 1.00 0.00 C ATOM 965 C ALA A 66 -4.517 -6.413 3.298 1.00 0.00 C ATOM 966 O ALA A 66 -5.577 -6.990 3.538 1.00 0.00 O ATOM 967 CB ALA A 66 -3.129 -5.297 5.054 1.00 0.00 C ATOM 0 H ALA A 66 -1.601 -6.047 3.148 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.520 -7.394 4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.043 -5.081 5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.306 -5.440 5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.900 -4.463 4.391 1.00 0.00 H new ATOM 973 N GLU A 67 -4.339 -5.635 2.235 1.00 0.00 N ATOM 974 CA GLU A 67 -5.406 -5.410 1.267 1.00 0.00 C ATOM 975 C GLU A 67 -5.691 -6.677 0.466 1.00 0.00 C ATOM 976 O GLU A 67 -6.809 -6.887 -0.007 1.00 0.00 O ATOM 977 CB GLU A 67 -5.033 -4.267 0.320 1.00 0.00 C ATOM 978 CG GLU A 67 -3.845 -4.581 -0.573 1.00 0.00 C ATOM 979 CD GLU A 67 -4.244 -4.803 -2.019 1.00 0.00 C ATOM 980 OE1 GLU A 67 -5.148 -4.088 -2.501 1.00 0.00 O ATOM 981 OE2 GLU A 67 -3.653 -5.690 -2.669 1.00 0.00 O ATOM 0 H GLU A 67 -3.467 -5.150 2.022 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.308 -5.138 1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.894 -4.028 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.810 -3.377 0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.129 -3.761 -0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.339 -5.471 -0.199 1.00 0.00 H new ATOM 988 N CYS A 68 -4.673 -7.517 0.317 1.00 0.00 N ATOM 989 CA CYS A 68 -4.812 -8.763 -0.428 1.00 0.00 C ATOM 990 C CYS A 68 -5.581 -9.799 0.385 1.00 0.00 C ATOM 991 O CYS A 68 -4.998 -10.547 1.170 1.00 0.00 O ATOM 992 CB CYS A 68 -3.436 -9.312 -0.805 1.00 0.00 C ATOM 993 SG CYS A 68 -3.487 -10.702 -1.961 1.00 0.00 S ATOM 0 H CYS A 68 -3.742 -7.358 0.702 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.373 -8.553 -1.339 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.844 -8.509 -1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.921 -9.627 0.103 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.275 -11.095 -2.221 1.00 0.00 H new