USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 439 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 56 SER OG : rot 180:sc= -0.318 USER MOD Set 1.2: A 59 THR OG1 : rot -160:sc= -0.779 USER MOD Set 2.1: A 53 LYS NZ :NH3+ -151:sc= 1.41 (180deg=0.832) USER MOD Set 2.2: A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -101:sc= 0.139 USER MOD Single : A 28 SER OG : rot -170:sc= 0.241 USER MOD Single : A 32 SER OG : rot 31:sc= 0.0257 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 24:sc= 0.0416 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc=-0.00834 USER MOD Single : A 69 CYS SG : rot 180:sc= -1.48 USER MOD ----------------------------------------------------------------- ATOM 205 N ASP A 18 -1.334 -10.573 -2.284 1.00 0.00 N ATOM 206 CA ASP A 18 -1.793 -9.964 -1.041 1.00 0.00 C ATOM 207 C ASP A 18 -2.003 -8.463 -1.215 1.00 0.00 C ATOM 208 O ASP A 18 -1.185 -7.779 -1.831 1.00 0.00 O ATOM 209 CB ASP A 18 -0.787 -10.224 0.081 1.00 0.00 C ATOM 210 CG ASP A 18 -0.980 -11.581 0.729 1.00 0.00 C ATOM 211 OD1 ASP A 18 -1.889 -11.711 1.575 1.00 0.00 O ATOM 212 OD2 ASP A 18 -0.220 -12.514 0.391 1.00 0.00 O ATOM 0 HA ASP A 18 -2.748 -10.417 -0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.225 -10.156 -0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.883 -9.446 0.838 1.00 0.00 H new ATOM 217 N PHE A 19 -3.104 -7.957 -0.670 1.00 0.00 N ATOM 218 CA PHE A 19 -3.422 -6.538 -0.767 1.00 0.00 C ATOM 219 C PHE A 19 -3.279 -5.854 0.589 1.00 0.00 C ATOM 220 O PHE A 19 -3.465 -6.478 1.635 1.00 0.00 O ATOM 221 CB PHE A 19 -4.844 -6.347 -1.300 1.00 0.00 C ATOM 222 CG PHE A 19 -5.099 -7.063 -2.596 1.00 0.00 C ATOM 223 CD1 PHE A 19 -4.563 -6.588 -3.782 1.00 0.00 C ATOM 224 CD2 PHE A 19 -5.876 -8.210 -2.628 1.00 0.00 C ATOM 225 CE1 PHE A 19 -4.796 -7.244 -4.976 1.00 0.00 C ATOM 226 CE2 PHE A 19 -6.112 -8.870 -3.819 1.00 0.00 C ATOM 227 CZ PHE A 19 -5.573 -8.386 -4.994 1.00 0.00 C ATOM 0 H PHE A 19 -3.791 -8.509 -0.156 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.717 -6.080 -1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.554 -6.701 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.032 -5.282 -1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.956 -5.695 -3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.302 -8.592 -1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.371 -6.864 -5.894 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.718 -9.764 -3.830 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.758 -8.899 -5.926 1.00 0.00 H new ATOM 237 N LEU A 20 -2.947 -4.568 0.565 1.00 0.00 N ATOM 238 CA LEU A 20 -2.778 -3.798 1.792 1.00 0.00 C ATOM 239 C LEU A 20 -3.575 -2.499 1.734 1.00 0.00 C ATOM 240 O LEU A 20 -3.287 -1.618 0.924 1.00 0.00 O ATOM 241 CB LEU A 20 -1.298 -3.491 2.026 1.00 0.00 C ATOM 242 CG LEU A 20 -0.318 -4.615 1.687 1.00 0.00 C ATOM 243 CD1 LEU A 20 1.086 -4.062 1.502 1.00 0.00 C ATOM 244 CD2 LEU A 20 -0.334 -5.682 2.772 1.00 0.00 C ATOM 0 H LEU A 20 -2.789 -4.036 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.154 -4.397 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.032 -2.614 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.164 -3.223 3.074 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.632 -5.074 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.769 -4.877 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.087 -3.336 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.410 -3.577 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.369 -6.474 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.046 -5.237 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.337 -6.101 2.856 1.00 0.00 H new ATOM 256 N ALA A 21 -4.578 -2.386 2.599 1.00 0.00 N ATOM 257 CA ALA A 21 -5.413 -1.193 2.649 1.00 0.00 C ATOM 258 C ALA A 21 -4.783 -0.117 3.527 1.00 0.00 C ATOM 259 O ALA A 21 -4.605 -0.308 4.730 1.00 0.00 O ATOM 260 CB ALA A 21 -6.804 -1.543 3.158 1.00 0.00 C ATOM 0 H ALA A 21 -4.832 -3.107 3.275 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.496 -0.797 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.417 -0.642 3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.264 -2.271 2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.729 -1.967 4.159 1.00 0.00 H new ATOM 266 N VAL A 22 -4.445 1.015 2.917 1.00 0.00 N ATOM 267 CA VAL A 22 -3.834 2.122 3.643 1.00 0.00 C ATOM 268 C VAL A 22 -4.693 2.540 4.832 1.00 0.00 C ATOM 269 O VAL A 22 -5.716 3.206 4.669 1.00 0.00 O ATOM 270 CB VAL A 22 -3.615 3.341 2.728 1.00 0.00 C ATOM 271 CG1 VAL A 22 -3.071 4.517 3.525 1.00 0.00 C ATOM 272 CG2 VAL A 22 -2.680 2.985 1.582 1.00 0.00 C ATOM 0 H VAL A 22 -4.584 1.189 1.922 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.867 1.769 4.003 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.576 3.634 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.923 5.369 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.781 4.786 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.119 4.240 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.536 3.858 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.718 2.666 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.115 2.176 0.996 1.00 0.00 H new ATOM 282 N LEU A 23 -4.270 2.146 6.028 1.00 0.00 N ATOM 283 CA LEU A 23 -5.000 2.480 7.246 1.00 0.00 C ATOM 284 C LEU A 23 -4.963 3.982 7.508 1.00 0.00 C ATOM 285 O LEU A 23 -5.899 4.547 8.074 1.00 0.00 O ATOM 286 CB LEU A 23 -4.410 1.728 8.440 1.00 0.00 C ATOM 287 CG LEU A 23 -4.269 0.214 8.276 1.00 0.00 C ATOM 288 CD1 LEU A 23 -3.158 -0.318 9.170 1.00 0.00 C ATOM 289 CD2 LEU A 23 -5.586 -0.481 8.588 1.00 0.00 C ATOM 0 H LEU A 23 -3.425 1.595 6.180 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.039 2.179 7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.425 2.143 8.655 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.035 1.922 9.311 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.006 0.002 7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.072 -1.397 9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.215 0.156 8.900 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.391 -0.095 10.211 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.467 -1.558 8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.879 -0.262 9.615 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.357 -0.122 7.907 1.00 0.00 H new ATOM 301 N SER A 24 -3.877 4.624 7.090 1.00 0.00 N ATOM 302 CA SER A 24 -3.717 6.061 7.281 1.00 0.00 C ATOM 303 C SER A 24 -2.670 6.623 6.324 1.00 0.00 C ATOM 304 O SER A 24 -1.503 6.233 6.364 1.00 0.00 O ATOM 305 CB SER A 24 -3.318 6.363 8.727 1.00 0.00 C ATOM 306 OG SER A 24 -3.021 7.739 8.896 1.00 0.00 O ATOM 0 H SER A 24 -3.095 4.172 6.617 1.00 0.00 H new ATOM 0 HA SER A 24 -4.673 6.540 7.068 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.128 6.077 9.399 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.450 5.764 9.001 1.00 0.00 H new ATOM 0 HG SER A 24 -2.770 7.907 9.828 1.00 0.00 H new ATOM 312 N ASP A 25 -3.097 7.541 5.464 1.00 0.00 N ATOM 313 CA ASP A 25 -2.198 8.159 4.496 1.00 0.00 C ATOM 314 C ASP A 25 -0.797 8.318 5.080 1.00 0.00 C ATOM 315 O ASP A 25 -0.637 8.658 6.253 1.00 0.00 O ATOM 316 CB ASP A 25 -2.740 9.521 4.062 1.00 0.00 C ATOM 317 CG ASP A 25 -2.621 10.567 5.153 1.00 0.00 C ATOM 318 OD1 ASP A 25 -2.882 10.231 6.327 1.00 0.00 O ATOM 319 OD2 ASP A 25 -2.267 11.721 4.833 1.00 0.00 O ATOM 0 H ASP A 25 -4.060 7.874 5.417 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.138 7.506 3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.199 9.859 3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.786 9.417 3.775 1.00 0.00 H new ATOM 324 N TYR A 26 0.214 8.068 4.256 1.00 0.00 N ATOM 325 CA TYR A 26 1.601 8.179 4.691 1.00 0.00 C ATOM 326 C TYR A 26 2.529 8.400 3.501 1.00 0.00 C ATOM 327 O TYR A 26 2.269 7.949 2.386 1.00 0.00 O ATOM 328 CB TYR A 26 2.021 6.921 5.453 1.00 0.00 C ATOM 329 CG TYR A 26 3.491 6.594 5.318 1.00 0.00 C ATOM 330 CD1 TYR A 26 4.031 6.230 4.091 1.00 0.00 C ATOM 331 CD2 TYR A 26 4.339 6.647 6.417 1.00 0.00 C ATOM 332 CE1 TYR A 26 5.373 5.929 3.962 1.00 0.00 C ATOM 333 CE2 TYR A 26 5.682 6.350 6.297 1.00 0.00 C ATOM 334 CZ TYR A 26 6.195 5.991 5.068 1.00 0.00 C ATOM 335 OH TYR A 26 7.533 5.692 4.945 1.00 0.00 O ATOM 0 H TYR A 26 0.099 7.787 3.282 1.00 0.00 H new ATOM 0 HA TYR A 26 1.679 9.040 5.354 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.781 7.049 6.509 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.435 6.076 5.093 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.390 6.181 3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.941 6.925 7.382 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.776 5.647 3.001 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.328 6.399 7.161 1.00 0.00 H new ATOM 0 HH TYR A 26 7.696 4.781 5.268 1.00 0.00 H new ATOM 345 N PRO A 27 3.640 9.112 3.743 1.00 0.00 N ATOM 346 CA PRO A 27 3.960 9.654 5.067 1.00 0.00 C ATOM 347 C PRO A 27 3.027 10.792 5.468 1.00 0.00 C ATOM 348 O PRO A 27 2.131 11.168 4.712 1.00 0.00 O ATOM 349 CB PRO A 27 5.392 10.170 4.902 1.00 0.00 C ATOM 350 CG PRO A 27 5.526 10.458 3.446 1.00 0.00 C ATOM 351 CD PRO A 27 4.670 9.441 2.743 1.00 0.00 C ATOM 0 HA PRO A 27 3.850 8.906 5.852 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.561 11.066 5.500 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.120 9.427 5.227 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.196 11.471 3.217 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.565 10.381 3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.230 9.847 1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.246 8.561 2.455 1.00 0.00 H new ATOM 359 N SER A 28 3.243 11.335 6.662 1.00 0.00 N ATOM 360 CA SER A 28 2.419 12.428 7.164 1.00 0.00 C ATOM 361 C SER A 28 2.730 13.727 6.427 1.00 0.00 C ATOM 362 O SER A 28 3.806 13.904 5.856 1.00 0.00 O ATOM 363 CB SER A 28 2.643 12.614 8.666 1.00 0.00 C ATOM 364 OG SER A 28 3.649 13.580 8.916 1.00 0.00 O ATOM 0 H SER A 28 3.981 11.036 7.299 1.00 0.00 H new ATOM 0 HA SER A 28 1.374 12.173 6.988 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.712 12.923 9.140 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.928 11.663 9.115 1.00 0.00 H new ATOM 0 HG SER A 28 3.885 13.568 9.867 1.00 0.00 H new ATOM 370 N PRO A 29 1.765 14.658 6.439 1.00 0.00 N ATOM 371 CA PRO A 29 1.911 15.958 5.777 1.00 0.00 C ATOM 372 C PRO A 29 2.923 16.856 6.481 1.00 0.00 C ATOM 373 O PRO A 29 3.112 18.011 6.099 1.00 0.00 O ATOM 374 CB PRO A 29 0.507 16.561 5.866 1.00 0.00 C ATOM 375 CG PRO A 29 -0.113 15.905 7.051 1.00 0.00 C ATOM 376 CD PRO A 29 0.457 14.515 7.100 1.00 0.00 C ATOM 0 HA PRO A 29 2.282 15.857 4.757 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.548 17.643 5.989 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.066 16.365 4.960 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.116 16.453 7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.199 15.879 6.959 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.562 14.160 8.125 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.181 13.801 6.579 1.00 0.00 H new ATOM 384 N ASP A 30 3.570 16.319 7.509 1.00 0.00 N ATOM 385 CA ASP A 30 4.563 17.072 8.265 1.00 0.00 C ATOM 386 C ASP A 30 5.977 16.680 7.845 1.00 0.00 C ATOM 387 O ASP A 30 6.946 17.360 8.184 1.00 0.00 O ATOM 388 CB ASP A 30 4.380 16.837 9.765 1.00 0.00 C ATOM 389 CG ASP A 30 3.134 17.509 10.308 1.00 0.00 C ATOM 390 OD1 ASP A 30 2.898 18.686 9.964 1.00 0.00 O ATOM 391 OD2 ASP A 30 2.397 16.859 11.079 1.00 0.00 O ATOM 0 H ASP A 30 3.424 15.365 7.838 1.00 0.00 H new ATOM 0 HA ASP A 30 4.420 18.131 8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.325 15.766 9.958 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.254 17.212 10.298 1.00 0.00 H new ATOM 396 N ILE A 31 6.086 15.580 7.108 1.00 0.00 N ATOM 397 CA ILE A 31 7.381 15.099 6.643 1.00 0.00 C ATOM 398 C ILE A 31 7.428 15.033 5.120 1.00 0.00 C ATOM 399 O ILE A 31 8.247 15.698 4.485 1.00 0.00 O ATOM 400 CB ILE A 31 7.702 13.706 7.216 1.00 0.00 C ATOM 401 CG1 ILE A 31 7.250 13.613 8.674 1.00 0.00 C ATOM 402 CG2 ILE A 31 9.191 13.415 7.098 1.00 0.00 C ATOM 403 CD1 ILE A 31 7.632 12.312 9.344 1.00 0.00 C ATOM 0 H ILE A 31 5.294 15.005 6.820 1.00 0.00 H new ATOM 0 HA ILE A 31 8.128 15.810 6.997 1.00 0.00 H new ATOM 0 HB ILE A 31 7.158 12.958 6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.684 14.442 9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.167 13.731 8.718 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.402 12.427 7.507 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.485 13.444 6.049 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.754 14.166 7.653 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.279 12.317 10.375 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.176 11.479 8.808 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.716 12.201 9.332 1.00 0.00 H new ATOM 415 N SER A 32 6.544 14.228 4.540 1.00 0.00 N ATOM 416 CA SER A 32 6.485 14.074 3.091 1.00 0.00 C ATOM 417 C SER A 32 5.056 13.807 2.630 1.00 0.00 C ATOM 418 O SER A 32 4.181 13.440 3.416 1.00 0.00 O ATOM 419 CB SER A 32 7.400 12.932 2.641 1.00 0.00 C ATOM 420 OG SER A 32 8.687 13.415 2.300 1.00 0.00 O ATOM 0 H SER A 32 5.858 13.672 5.051 1.00 0.00 H new ATOM 0 HA SER A 32 6.826 15.005 2.637 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.485 12.194 3.438 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.959 12.425 1.783 1.00 0.00 H new ATOM 0 HG SER A 32 8.895 14.204 2.843 1.00 0.00 H new ATOM 426 N PRO A 33 4.811 13.995 1.325 1.00 0.00 N ATOM 427 CA PRO A 33 3.489 13.781 0.729 1.00 0.00 C ATOM 428 C PRO A 33 3.104 12.306 0.688 1.00 0.00 C ATOM 429 O PRO A 33 3.912 11.437 0.360 1.00 0.00 O ATOM 430 CB PRO A 33 3.647 14.332 -0.691 1.00 0.00 C ATOM 431 CG PRO A 33 5.103 14.218 -0.981 1.00 0.00 C ATOM 432 CD PRO A 33 5.805 14.432 0.331 1.00 0.00 C ATOM 0 HA PRO A 33 2.699 14.265 1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.055 13.760 -1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.311 15.367 -0.754 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.343 13.239 -1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.414 14.961 -1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.722 13.847 0.396 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.082 15.477 0.473 1.00 0.00 H new ATOM 440 N PRO A 34 1.840 12.014 1.029 1.00 0.00 N ATOM 441 CA PRO A 34 1.319 10.644 1.038 1.00 0.00 C ATOM 442 C PRO A 34 1.177 10.068 -0.367 1.00 0.00 C ATOM 443 O PRO A 34 0.431 10.597 -1.192 1.00 0.00 O ATOM 444 CB PRO A 34 -0.055 10.791 1.697 1.00 0.00 C ATOM 445 CG PRO A 34 -0.453 12.202 1.431 1.00 0.00 C ATOM 446 CD PRO A 34 0.822 12.999 1.431 1.00 0.00 C ATOM 0 HA PRO A 34 1.986 9.958 1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.774 10.090 1.273 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.005 10.589 2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.967 12.289 0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.140 12.565 2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.774 13.835 0.733 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.034 13.418 2.415 1.00 0.00 H new ATOM 454 N ILE A 35 1.896 8.983 -0.632 1.00 0.00 N ATOM 455 CA ILE A 35 1.848 8.335 -1.937 1.00 0.00 C ATOM 456 C ILE A 35 0.623 7.436 -2.060 1.00 0.00 C ATOM 457 O ILE A 35 0.130 7.187 -3.160 1.00 0.00 O ATOM 458 CB ILE A 35 3.114 7.498 -2.197 1.00 0.00 C ATOM 459 CG1 ILE A 35 4.357 8.251 -1.718 1.00 0.00 C ATOM 460 CG2 ILE A 35 3.231 7.158 -3.675 1.00 0.00 C ATOM 461 CD1 ILE A 35 4.733 7.947 -0.285 1.00 0.00 C ATOM 0 H ILE A 35 2.519 8.534 0.039 1.00 0.00 H new ATOM 0 HA ILE A 35 1.789 9.129 -2.681 1.00 0.00 H new ATOM 0 HB ILE A 35 3.037 6.567 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.196 8.000 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.185 9.322 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.131 6.566 -3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.357 6.586 -3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.289 8.078 -4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.623 8.515 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.910 8.225 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.938 6.881 -0.181 1.00 0.00 H new ATOM 473 N PHE A 36 0.135 6.952 -0.923 1.00 0.00 N ATOM 474 CA PHE A 36 -1.034 6.080 -0.902 1.00 0.00 C ATOM 475 C PHE A 36 -2.048 6.555 0.135 1.00 0.00 C ATOM 476 O PHE A 36 -1.964 6.196 1.310 1.00 0.00 O ATOM 477 CB PHE A 36 -0.617 4.639 -0.602 1.00 0.00 C ATOM 478 CG PHE A 36 0.502 4.145 -1.474 1.00 0.00 C ATOM 479 CD1 PHE A 36 0.493 4.386 -2.838 1.00 0.00 C ATOM 480 CD2 PHE A 36 1.563 3.440 -0.929 1.00 0.00 C ATOM 481 CE1 PHE A 36 1.521 3.932 -3.643 1.00 0.00 C ATOM 482 CE2 PHE A 36 2.594 2.984 -1.729 1.00 0.00 C ATOM 483 CZ PHE A 36 2.573 3.231 -3.087 1.00 0.00 C ATOM 0 H PHE A 36 0.531 7.149 -0.004 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.502 6.118 -1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.312 4.567 0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.480 3.986 -0.728 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.327 4.935 -3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.585 3.245 0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.501 4.125 -4.705 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.415 2.435 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.378 2.877 -3.714 1.00 0.00 H new ATOM 493 N ARG A 37 -3.005 7.363 -0.309 1.00 0.00 N ATOM 494 CA ARG A 37 -4.034 7.888 0.581 1.00 0.00 C ATOM 495 C ARG A 37 -4.751 6.757 1.311 1.00 0.00 C ATOM 496 O ARG A 37 -4.699 5.601 0.889 1.00 0.00 O ATOM 497 CB ARG A 37 -5.046 8.720 -0.211 1.00 0.00 C ATOM 498 CG ARG A 37 -4.411 9.827 -1.036 1.00 0.00 C ATOM 499 CD ARG A 37 -4.132 11.061 -0.193 1.00 0.00 C ATOM 500 NE ARG A 37 -5.359 11.771 0.160 1.00 0.00 N ATOM 501 CZ ARG A 37 -5.377 12.991 0.686 1.00 0.00 C ATOM 502 NH1 ARG A 37 -4.240 13.633 0.918 1.00 0.00 N ATOM 503 NH2 ARG A 37 -6.533 13.571 0.980 1.00 0.00 N ATOM 0 H ARG A 37 -3.089 7.668 -1.279 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.549 8.524 1.321 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.607 8.061 -0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.763 9.160 0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.480 9.467 -1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.072 10.091 -1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.608 10.768 0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.470 11.732 -0.740 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.251 11.305 -0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.349 13.190 0.693 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.256 14.570 1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.409 13.080 0.802 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.546 14.508 1.384 1.00 0.00 H new ATOM 517 N ARG A 38 -5.418 7.097 2.409 1.00 0.00 N ATOM 518 CA ARG A 38 -6.143 6.109 3.199 1.00 0.00 C ATOM 519 C ARG A 38 -7.257 5.467 2.377 1.00 0.00 C ATOM 520 O ARG A 38 -7.848 6.106 1.508 1.00 0.00 O ATOM 521 CB ARG A 38 -6.730 6.760 4.453 1.00 0.00 C ATOM 522 CG ARG A 38 -7.079 5.765 5.549 1.00 0.00 C ATOM 523 CD ARG A 38 -8.254 6.246 6.384 1.00 0.00 C ATOM 524 NE ARG A 38 -7.860 7.273 7.345 1.00 0.00 N ATOM 525 CZ ARG A 38 -8.605 7.633 8.384 1.00 0.00 C ATOM 526 NH1 ARG A 38 -9.778 7.053 8.595 1.00 0.00 N ATOM 527 NH2 ARG A 38 -8.177 8.576 9.214 1.00 0.00 N ATOM 0 H ARG A 38 -5.471 8.049 2.772 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.440 5.331 3.496 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.015 7.484 4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.627 7.315 4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.319 4.800 5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.213 5.612 6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.027 6.643 5.726 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.691 5.401 6.916 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.963 7.740 7.211 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.110 6.328 7.959 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.348 7.331 9.394 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.275 9.025 9.054 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.750 8.852 10.012 1.00 0.00 H new ATOM 541 N GLY A 39 -7.538 4.199 2.659 1.00 0.00 N ATOM 542 CA GLY A 39 -8.579 3.491 1.937 1.00 0.00 C ATOM 543 C GLY A 39 -8.119 3.016 0.573 1.00 0.00 C ATOM 544 O GLY A 39 -8.847 2.308 -0.122 1.00 0.00 O ATOM 0 H GLY A 39 -7.063 3.649 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.906 2.634 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.443 4.145 1.818 1.00 0.00 H new ATOM 548 N GLU A 40 -6.908 3.408 0.190 1.00 0.00 N ATOM 549 CA GLU A 40 -6.354 3.019 -1.102 1.00 0.00 C ATOM 550 C GLU A 40 -5.801 1.598 -1.051 1.00 0.00 C ATOM 551 O GLU A 40 -5.097 1.226 -0.111 1.00 0.00 O ATOM 552 CB GLU A 40 -5.251 3.992 -1.522 1.00 0.00 C ATOM 553 CG GLU A 40 -4.886 3.900 -2.994 1.00 0.00 C ATOM 554 CD GLU A 40 -6.063 3.501 -3.863 1.00 0.00 C ATOM 555 OE1 GLU A 40 -7.027 4.291 -3.954 1.00 0.00 O ATOM 556 OE2 GLU A 40 -6.021 2.401 -4.451 1.00 0.00 O ATOM 0 H GLU A 40 -6.293 3.994 0.755 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.157 3.052 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.572 5.010 -1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.361 3.800 -0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.501 4.863 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.083 3.174 -3.121 1.00 0.00 H new ATOM 563 N LYS A 41 -6.125 0.806 -2.068 1.00 0.00 N ATOM 564 CA LYS A 41 -5.661 -0.574 -2.142 1.00 0.00 C ATOM 565 C LYS A 41 -4.263 -0.647 -2.748 1.00 0.00 C ATOM 566 O LYS A 41 -3.961 0.044 -3.722 1.00 0.00 O ATOM 567 CB LYS A 41 -6.633 -1.416 -2.971 1.00 0.00 C ATOM 568 CG LYS A 41 -6.432 -2.913 -2.809 1.00 0.00 C ATOM 569 CD LYS A 41 -7.613 -3.697 -3.357 1.00 0.00 C ATOM 570 CE LYS A 41 -8.736 -3.799 -2.337 1.00 0.00 C ATOM 571 NZ LYS A 41 -9.899 -4.562 -2.867 1.00 0.00 N ATOM 0 H LYS A 41 -6.708 1.097 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.619 -0.972 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.654 -1.162 -2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.521 -1.155 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.521 -3.217 -3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.294 -3.150 -1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.984 -3.214 -4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.286 -4.697 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.364 -4.284 -1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.058 -2.798 -2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.643 -4.609 -2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.270 -4.085 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.597 -5.526 -3.117 1.00 0.00 H new ATOM 585 N LEU A 42 -3.415 -1.489 -2.168 1.00 0.00 N ATOM 586 CA LEU A 42 -2.049 -1.654 -2.653 1.00 0.00 C ATOM 587 C LEU A 42 -1.709 -3.130 -2.832 1.00 0.00 C ATOM 588 O LEU A 42 -2.107 -3.971 -2.026 1.00 0.00 O ATOM 589 CB LEU A 42 -1.061 -1.006 -1.681 1.00 0.00 C ATOM 590 CG LEU A 42 -1.495 0.328 -1.073 1.00 0.00 C ATOM 591 CD1 LEU A 42 -0.592 0.702 0.092 1.00 0.00 C ATOM 592 CD2 LEU A 42 -1.488 1.423 -2.129 1.00 0.00 C ATOM 0 H LEU A 42 -3.649 -2.068 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.972 -1.162 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.868 -1.707 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.116 -0.855 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.513 0.220 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.916 1.654 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.648 -0.071 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.436 0.791 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.800 2.365 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.482 1.530 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.177 1.159 -2.931 1.00 0.00 H new ATOM 604 N ARG A 43 -0.970 -3.437 -3.894 1.00 0.00 N ATOM 605 CA ARG A 43 -0.576 -4.811 -4.178 1.00 0.00 C ATOM 606 C ARG A 43 0.792 -5.120 -3.578 1.00 0.00 C ATOM 607 O ARG A 43 1.764 -4.403 -3.819 1.00 0.00 O ATOM 608 CB ARG A 43 -0.549 -5.054 -5.689 1.00 0.00 C ATOM 609 CG ARG A 43 -0.483 -6.524 -6.068 1.00 0.00 C ATOM 610 CD ARG A 43 -0.758 -6.730 -7.549 1.00 0.00 C ATOM 611 NE ARG A 43 0.465 -6.689 -8.345 1.00 0.00 N ATOM 612 CZ ARG A 43 0.480 -6.517 -9.662 1.00 0.00 C ATOM 613 NH1 ARG A 43 -0.657 -6.371 -10.328 1.00 0.00 N ATOM 614 NH2 ARG A 43 1.635 -6.491 -10.316 1.00 0.00 N ATOM 0 H ARG A 43 -0.633 -2.753 -4.571 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.311 -5.475 -3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.440 -4.612 -6.136 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.311 -4.538 -6.116 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.502 -6.921 -5.821 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.209 -7.085 -5.480 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.253 -7.690 -7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.445 -5.960 -7.900 1.00 0.00 H new ATOM 0 HE ARG A 43 1.357 -6.798 -7.863 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.546 -6.391 -9.829 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.642 -6.239 -11.339 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.512 -6.603 -9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.646 -6.359 -11.327 1.00 0.00 H new ATOM 628 N VAL A 44 0.861 -6.191 -2.794 1.00 0.00 N ATOM 629 CA VAL A 44 2.110 -6.595 -2.159 1.00 0.00 C ATOM 630 C VAL A 44 3.136 -7.036 -3.197 1.00 0.00 C ATOM 631 O VAL A 44 2.968 -8.065 -3.852 1.00 0.00 O ATOM 632 CB VAL A 44 1.884 -7.743 -1.157 1.00 0.00 C ATOM 633 CG1 VAL A 44 3.210 -8.215 -0.579 1.00 0.00 C ATOM 634 CG2 VAL A 44 0.937 -7.304 -0.050 1.00 0.00 C ATOM 0 H VAL A 44 0.066 -6.795 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 44 2.490 -5.725 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 44 1.426 -8.579 -1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.031 -9.026 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.852 -8.570 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.698 -7.387 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.788 -8.127 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.365 -6.452 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.022 -7.018 -0.483 1.00 0.00 H new ATOM 644 N ILE A 45 4.199 -6.251 -3.340 1.00 0.00 N ATOM 645 CA ILE A 45 5.253 -6.562 -4.297 1.00 0.00 C ATOM 646 C ILE A 45 6.315 -7.461 -3.673 1.00 0.00 C ATOM 647 O ILE A 45 6.642 -8.519 -4.211 1.00 0.00 O ATOM 648 CB ILE A 45 5.927 -5.282 -4.827 1.00 0.00 C ATOM 649 CG1 ILE A 45 5.165 -4.743 -6.040 1.00 0.00 C ATOM 650 CG2 ILE A 45 7.379 -5.558 -5.187 1.00 0.00 C ATOM 651 CD1 ILE A 45 4.108 -3.721 -5.684 1.00 0.00 C ATOM 0 H ILE A 45 4.353 -5.396 -2.806 1.00 0.00 H new ATOM 0 HA ILE A 45 4.780 -7.085 -5.128 1.00 0.00 H new ATOM 0 HB ILE A 45 5.905 -4.526 -4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.875 -4.293 -6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.693 -5.575 -6.562 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.841 -4.644 -5.560 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.915 -5.901 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.423 -6.327 -5.958 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.608 -3.383 -6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.376 -4.173 -5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.577 -2.870 -5.189 1.00 0.00 H new ATOM 663 N SER A 46 6.849 -7.033 -2.533 1.00 0.00 N ATOM 664 CA SER A 46 7.876 -7.798 -1.836 1.00 0.00 C ATOM 665 C SER A 46 7.715 -7.671 -0.324 1.00 0.00 C ATOM 666 O SER A 46 7.319 -6.622 0.183 1.00 0.00 O ATOM 667 CB SER A 46 9.269 -7.323 -2.254 1.00 0.00 C ATOM 668 OG SER A 46 9.689 -7.961 -3.447 1.00 0.00 O ATOM 0 H SER A 46 6.587 -6.161 -2.073 1.00 0.00 H new ATOM 0 HA SER A 46 7.761 -8.847 -2.110 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.260 -6.243 -2.400 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.982 -7.531 -1.456 1.00 0.00 H new ATOM 0 HG SER A 46 8.904 -8.258 -3.953 1.00 0.00 H new ATOM 674 N ASP A 47 8.025 -8.747 0.390 1.00 0.00 N ATOM 675 CA ASP A 47 7.917 -8.758 1.844 1.00 0.00 C ATOM 676 C ASP A 47 9.298 -8.762 2.492 1.00 0.00 C ATOM 677 O ASP A 47 10.082 -9.689 2.297 1.00 0.00 O ATOM 678 CB ASP A 47 7.118 -9.976 2.309 1.00 0.00 C ATOM 679 CG ASP A 47 6.893 -9.984 3.808 1.00 0.00 C ATOM 680 OD1 ASP A 47 5.894 -9.388 4.261 1.00 0.00 O ATOM 681 OD2 ASP A 47 7.717 -10.586 4.529 1.00 0.00 O ATOM 0 H ASP A 47 8.353 -9.624 -0.015 1.00 0.00 H new ATOM 0 HA ASP A 47 7.394 -7.852 2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.154 -9.990 1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.645 -10.885 2.019 1.00 0.00 H new ATOM 686 N GLU A 48 9.587 -7.718 3.263 1.00 0.00 N ATOM 687 CA GLU A 48 10.875 -7.601 3.938 1.00 0.00 C ATOM 688 C GLU A 48 10.686 -7.300 5.422 1.00 0.00 C ATOM 689 O GLU A 48 10.687 -6.142 5.836 1.00 0.00 O ATOM 690 CB GLU A 48 11.720 -6.504 3.287 1.00 0.00 C ATOM 691 CG GLU A 48 11.980 -6.734 1.807 1.00 0.00 C ATOM 692 CD GLU A 48 13.301 -6.148 1.349 1.00 0.00 C ATOM 693 OE1 GLU A 48 14.332 -6.431 1.995 1.00 0.00 O ATOM 694 OE2 GLU A 48 13.304 -5.406 0.345 1.00 0.00 O ATOM 0 H GLU A 48 8.948 -6.942 3.436 1.00 0.00 H new ATOM 0 HA GLU A 48 11.395 -8.554 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.217 -5.546 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.675 -6.435 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.971 -7.805 1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.170 -6.292 1.227 1.00 0.00 H new ATOM 701 N GLY A 49 10.523 -8.352 6.218 1.00 0.00 N ATOM 702 CA GLY A 49 10.335 -8.180 7.646 1.00 0.00 C ATOM 703 C GLY A 49 9.102 -7.361 7.974 1.00 0.00 C ATOM 704 O GLY A 49 7.994 -7.701 7.562 1.00 0.00 O ATOM 0 H GLY A 49 10.518 -9.321 5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.254 -9.159 8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.214 -7.693 8.069 1.00 0.00 H new ATOM 708 N GLY A 50 9.295 -6.277 8.720 1.00 0.00 N ATOM 709 CA GLY A 50 8.181 -5.425 9.091 1.00 0.00 C ATOM 710 C GLY A 50 7.809 -4.445 7.995 1.00 0.00 C ATOM 711 O GLY A 50 6.705 -3.902 7.988 1.00 0.00 O ATOM 0 H GLY A 50 10.203 -5.974 9.074 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.317 -6.045 9.328 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.435 -4.873 9.996 1.00 0.00 H new ATOM 715 N TRP A 51 8.733 -4.219 7.069 1.00 0.00 N ATOM 716 CA TRP A 51 8.497 -3.297 5.964 1.00 0.00 C ATOM 717 C TRP A 51 8.449 -4.041 4.634 1.00 0.00 C ATOM 718 O TRP A 51 9.322 -4.856 4.337 1.00 0.00 O ATOM 719 CB TRP A 51 9.589 -2.226 5.924 1.00 0.00 C ATOM 720 CG TRP A 51 9.398 -1.145 6.944 1.00 0.00 C ATOM 721 CD1 TRP A 51 9.497 -1.271 8.300 1.00 0.00 C ATOM 722 CD2 TRP A 51 9.074 0.226 6.689 1.00 0.00 C ATOM 723 NE1 TRP A 51 9.254 -0.061 8.904 1.00 0.00 N ATOM 724 CE2 TRP A 51 8.992 0.874 7.937 1.00 0.00 C ATOM 725 CE3 TRP A 51 8.846 0.970 5.528 1.00 0.00 C ATOM 726 CZ2 TRP A 51 8.692 2.228 8.055 1.00 0.00 C ATOM 727 CZ3 TRP A 51 8.548 2.314 5.646 1.00 0.00 C ATOM 728 CH2 TRP A 51 8.474 2.933 6.902 1.00 0.00 C ATOM 0 H TRP A 51 9.652 -4.661 7.061 1.00 0.00 H new ATOM 0 HA TRP A 51 7.532 -2.817 6.125 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.558 -2.699 6.084 1.00 0.00 H new ATOM 0 HB3 TRP A 51 9.613 -1.778 4.931 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.732 -2.187 8.821 1.00 0.00 H new ATOM 0 HE1 TRP A 51 9.267 0.113 9.909 1.00 0.00 H new ATOM 0 HE3 TRP A 51 8.902 0.503 4.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 8.633 2.705 9.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 8.369 2.898 4.755 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.241 3.986 6.961 1.00 0.00 H new ATOM 739 N TRP A 52 7.424 -3.757 3.839 1.00 0.00 N ATOM 740 CA TRP A 52 7.263 -4.400 2.540 1.00 0.00 C ATOM 741 C TRP A 52 6.958 -3.372 1.457 1.00 0.00 C ATOM 742 O TRP A 52 6.595 -2.233 1.752 1.00 0.00 O ATOM 743 CB TRP A 52 6.145 -5.443 2.599 1.00 0.00 C ATOM 744 CG TRP A 52 4.922 -4.962 3.319 1.00 0.00 C ATOM 745 CD1 TRP A 52 4.570 -3.665 3.560 1.00 0.00 C ATOM 746 CD2 TRP A 52 3.891 -5.773 3.893 1.00 0.00 C ATOM 747 NE1 TRP A 52 3.382 -3.621 4.249 1.00 0.00 N ATOM 748 CE2 TRP A 52 2.945 -4.901 4.465 1.00 0.00 C ATOM 749 CE3 TRP A 52 3.675 -7.151 3.978 1.00 0.00 C ATOM 750 CZ2 TRP A 52 1.802 -5.364 5.113 1.00 0.00 C ATOM 751 CZ3 TRP A 52 2.540 -7.609 4.621 1.00 0.00 C ATOM 752 CH2 TRP A 52 1.615 -6.718 5.181 1.00 0.00 C ATOM 0 H TRP A 52 6.692 -3.086 4.071 1.00 0.00 H new ATOM 0 HA TRP A 52 8.201 -4.896 2.290 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.871 -5.729 1.584 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.520 -6.339 3.093 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.141 -2.801 3.254 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.903 -2.772 4.551 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.382 -7.846 3.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.089 -4.679 5.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.363 -8.672 4.693 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.737 -7.107 5.676 1.00 0.00 H new ATOM 763 N LYS A 53 7.107 -3.779 0.201 1.00 0.00 N ATOM 764 CA LYS A 53 6.846 -2.894 -0.928 1.00 0.00 C ATOM 765 C LYS A 53 5.473 -3.171 -1.531 1.00 0.00 C ATOM 766 O LYS A 53 5.043 -4.321 -1.616 1.00 0.00 O ATOM 767 CB LYS A 53 7.929 -3.063 -1.996 1.00 0.00 C ATOM 768 CG LYS A 53 8.099 -1.846 -2.888 1.00 0.00 C ATOM 769 CD LYS A 53 8.546 -2.237 -4.287 1.00 0.00 C ATOM 770 CE LYS A 53 8.445 -1.066 -5.252 1.00 0.00 C ATOM 771 NZ LYS A 53 9.665 -0.213 -5.221 1.00 0.00 N ATOM 0 H LYS A 53 7.408 -4.718 -0.061 1.00 0.00 H new ATOM 0 HA LYS A 53 6.862 -1.867 -0.564 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.879 -3.280 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.685 -3.926 -2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.157 -1.301 -2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.831 -1.170 -2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.575 -2.595 -4.254 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.932 -3.062 -4.649 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.291 -1.442 -6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.573 -0.462 -5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.411 0.766 -5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.080 -0.236 -4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.357 -0.572 -5.909 1.00 0.00 H new ATOM 785 N ALA A 54 4.791 -2.111 -1.950 1.00 0.00 N ATOM 786 CA ALA A 54 3.468 -2.241 -2.549 1.00 0.00 C ATOM 787 C ALA A 54 3.205 -1.120 -3.548 1.00 0.00 C ATOM 788 O ALA A 54 3.830 -0.061 -3.485 1.00 0.00 O ATOM 789 CB ALA A 54 2.398 -2.249 -1.467 1.00 0.00 C ATOM 0 H ALA A 54 5.132 -1.152 -1.886 1.00 0.00 H new ATOM 0 HA ALA A 54 3.431 -3.188 -3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.415 -2.347 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.568 -3.089 -0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.444 -1.317 -0.903 1.00 0.00 H new ATOM 795 N ILE A 55 2.277 -1.360 -4.469 1.00 0.00 N ATOM 796 CA ILE A 55 1.932 -0.369 -5.481 1.00 0.00 C ATOM 797 C ILE A 55 0.451 -0.012 -5.418 1.00 0.00 C ATOM 798 O ILE A 55 -0.391 -0.861 -5.124 1.00 0.00 O ATOM 799 CB ILE A 55 2.268 -0.871 -6.897 1.00 0.00 C ATOM 800 CG1 ILE A 55 1.991 0.224 -7.929 1.00 0.00 C ATOM 801 CG2 ILE A 55 1.468 -2.125 -7.219 1.00 0.00 C ATOM 802 CD1 ILE A 55 2.508 -0.104 -9.312 1.00 0.00 C ATOM 0 H ILE A 55 1.751 -2.231 -4.535 1.00 0.00 H new ATOM 0 HA ILE A 55 2.527 0.520 -5.269 1.00 0.00 H new ATOM 0 HB ILE A 55 3.328 -1.121 -6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.916 0.397 -7.983 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.447 1.154 -7.591 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.717 -2.467 -8.223 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.711 -2.906 -6.499 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.403 -1.901 -7.166 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.276 0.716 -9.991 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.588 -0.248 -9.272 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.033 -1.017 -9.671 1.00 0.00 H new ATOM 814 N SER A 56 0.139 1.249 -5.698 1.00 0.00 N ATOM 815 CA SER A 56 -1.241 1.719 -5.672 1.00 0.00 C ATOM 816 C SER A 56 -1.922 1.480 -7.016 1.00 0.00 C ATOM 817 O SER A 56 -1.424 1.900 -8.061 1.00 0.00 O ATOM 818 CB SER A 56 -1.288 3.208 -5.321 1.00 0.00 C ATOM 819 OG SER A 56 -0.302 3.932 -6.036 1.00 0.00 O ATOM 0 H SER A 56 0.823 1.964 -5.946 1.00 0.00 H new ATOM 0 HA SER A 56 -1.777 1.155 -4.908 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.276 3.608 -5.551 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.133 3.337 -4.250 1.00 0.00 H new ATOM 0 HG SER A 56 -0.354 4.881 -5.795 1.00 0.00 H new ATOM 825 N LEU A 57 -3.064 0.803 -6.981 1.00 0.00 N ATOM 826 CA LEU A 57 -3.816 0.506 -8.195 1.00 0.00 C ATOM 827 C LEU A 57 -4.539 1.749 -8.705 1.00 0.00 C ATOM 828 O LEU A 57 -5.313 1.681 -9.660 1.00 0.00 O ATOM 829 CB LEU A 57 -4.824 -0.614 -7.934 1.00 0.00 C ATOM 830 CG LEU A 57 -4.303 -1.815 -7.143 1.00 0.00 C ATOM 831 CD1 LEU A 57 -5.458 -2.584 -6.519 1.00 0.00 C ATOM 832 CD2 LEU A 57 -3.476 -2.725 -8.038 1.00 0.00 C ATOM 0 H LEU A 57 -3.490 0.449 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.111 0.179 -8.959 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.674 -0.193 -7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.197 -0.971 -8.894 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.662 -1.448 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.069 -3.435 -5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.009 -1.929 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.125 -2.940 -7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.114 -3.574 -7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.093 -3.085 -8.861 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.627 -2.169 -8.437 1.00 0.00 H new ATOM 844 N SER A 58 -4.281 2.883 -8.061 1.00 0.00 N ATOM 845 CA SER A 58 -4.909 4.141 -8.448 1.00 0.00 C ATOM 846 C SER A 58 -4.041 4.896 -9.450 1.00 0.00 C ATOM 847 O SER A 58 -4.523 5.351 -10.489 1.00 0.00 O ATOM 848 CB SER A 58 -5.158 5.011 -7.215 1.00 0.00 C ATOM 849 OG SER A 58 -6.241 5.900 -7.428 1.00 0.00 O ATOM 0 H SER A 58 -3.642 2.956 -7.269 1.00 0.00 H new ATOM 0 HA SER A 58 -5.864 3.912 -8.921 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.369 4.376 -6.355 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.258 5.579 -6.979 1.00 0.00 H new ATOM 0 HG SER A 58 -6.381 6.444 -6.625 1.00 0.00 H new ATOM 855 N THR A 59 -2.757 5.026 -9.132 1.00 0.00 N ATOM 856 CA THR A 59 -1.821 5.726 -10.002 1.00 0.00 C ATOM 857 C THR A 59 -0.717 4.793 -10.487 1.00 0.00 C ATOM 858 O THR A 59 -0.165 4.979 -11.570 1.00 0.00 O ATOM 859 CB THR A 59 -1.181 6.930 -9.285 1.00 0.00 C ATOM 860 OG1 THR A 59 -0.246 6.475 -8.301 1.00 0.00 O ATOM 861 CG2 THR A 59 -2.244 7.792 -8.621 1.00 0.00 C ATOM 0 H THR A 59 -2.341 4.655 -8.277 1.00 0.00 H new ATOM 0 HA THR A 59 -2.393 6.084 -10.858 1.00 0.00 H new ATOM 0 HB THR A 59 -0.660 7.532 -10.029 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.084 7.188 -7.649 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.768 8.636 -8.121 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.937 8.162 -9.377 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.790 7.197 -7.889 1.00 0.00 H new ATOM 869 N GLY A 60 -0.401 3.786 -9.677 1.00 0.00 N ATOM 870 CA GLY A 60 0.635 2.838 -10.041 1.00 0.00 C ATOM 871 C GLY A 60 1.986 3.204 -9.459 1.00 0.00 C ATOM 872 O GLY A 60 3.026 2.836 -10.007 1.00 0.00 O ATOM 0 H GLY A 60 -0.845 3.611 -8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.351 1.844 -9.696 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.712 2.788 -11.127 1.00 0.00 H new ATOM 876 N ARG A 61 1.972 3.930 -8.347 1.00 0.00 N ATOM 877 CA ARG A 61 3.206 4.348 -7.691 1.00 0.00 C ATOM 878 C ARG A 61 3.777 3.220 -6.837 1.00 0.00 C ATOM 879 O ARG A 61 3.057 2.592 -6.061 1.00 0.00 O ATOM 880 CB ARG A 61 2.955 5.583 -6.824 1.00 0.00 C ATOM 881 CG ARG A 61 2.912 6.882 -7.612 1.00 0.00 C ATOM 882 CD ARG A 61 3.052 8.091 -6.700 1.00 0.00 C ATOM 883 NE ARG A 61 3.088 9.343 -7.452 1.00 0.00 N ATOM 884 CZ ARG A 61 2.881 10.535 -6.905 1.00 0.00 C ATOM 885 NH1 ARG A 61 2.626 10.638 -5.608 1.00 0.00 N ATOM 886 NH2 ARG A 61 2.930 11.628 -7.655 1.00 0.00 N ATOM 0 H ARG A 61 1.120 4.242 -7.881 1.00 0.00 H new ATOM 0 HA ARG A 61 3.932 4.598 -8.464 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.011 5.458 -6.294 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.738 5.652 -6.069 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.713 6.887 -8.351 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.972 6.945 -8.160 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.219 8.114 -5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.964 7.996 -6.110 1.00 0.00 H new ATOM 0 HE ARG A 61 3.283 9.299 -8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.588 9.800 -5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.467 11.555 -5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.127 11.553 -8.653 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.771 12.543 -7.234 1.00 0.00 H new ATOM 900 N GLU A 62 5.074 2.970 -6.985 1.00 0.00 N ATOM 901 CA GLU A 62 5.740 1.917 -6.228 1.00 0.00 C ATOM 902 C GLU A 62 6.562 2.506 -5.085 1.00 0.00 C ATOM 903 O GLU A 62 7.508 3.260 -5.311 1.00 0.00 O ATOM 904 CB GLU A 62 6.642 1.090 -7.146 1.00 0.00 C ATOM 905 CG GLU A 62 5.940 -0.100 -7.778 1.00 0.00 C ATOM 906 CD GLU A 62 6.580 -0.529 -9.084 1.00 0.00 C ATOM 907 OE1 GLU A 62 6.494 0.239 -10.066 1.00 0.00 O ATOM 908 OE2 GLU A 62 7.165 -1.631 -9.125 1.00 0.00 O ATOM 0 H GLU A 62 5.684 3.482 -7.622 1.00 0.00 H new ATOM 0 HA GLU A 62 4.973 1.268 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.030 1.733 -7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.499 0.734 -6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.952 -0.937 -7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.895 0.152 -7.956 1.00 0.00 H new ATOM 915 N SER A 63 6.192 2.156 -3.857 1.00 0.00 N ATOM 916 CA SER A 63 6.892 2.652 -2.678 1.00 0.00 C ATOM 917 C SER A 63 6.876 1.615 -1.559 1.00 0.00 C ATOM 918 O SER A 63 6.177 0.605 -1.644 1.00 0.00 O ATOM 919 CB SER A 63 6.252 3.954 -2.190 1.00 0.00 C ATOM 920 OG SER A 63 7.105 4.633 -1.285 1.00 0.00 O ATOM 0 H SER A 63 5.412 1.531 -3.653 1.00 0.00 H new ATOM 0 HA SER A 63 7.928 2.845 -2.956 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.034 4.598 -3.042 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.301 3.736 -1.704 1.00 0.00 H new ATOM 0 HG SER A 63 6.674 5.462 -0.989 1.00 0.00 H new ATOM 926 N TYR A 64 7.652 1.871 -0.512 1.00 0.00 N ATOM 927 CA TYR A 64 7.730 0.959 0.623 1.00 0.00 C ATOM 928 C TYR A 64 7.078 1.571 1.859 1.00 0.00 C ATOM 929 O TYR A 64 7.485 2.634 2.327 1.00 0.00 O ATOM 930 CB TYR A 64 9.188 0.608 0.922 1.00 0.00 C ATOM 931 CG TYR A 64 9.927 0.028 -0.263 1.00 0.00 C ATOM 932 CD1 TYR A 64 10.383 0.845 -1.290 1.00 0.00 C ATOM 933 CD2 TYR A 64 10.168 -1.337 -0.356 1.00 0.00 C ATOM 934 CE1 TYR A 64 11.058 0.320 -2.375 1.00 0.00 C ATOM 935 CE2 TYR A 64 10.843 -1.871 -1.437 1.00 0.00 C ATOM 936 CZ TYR A 64 11.286 -1.039 -2.443 1.00 0.00 C ATOM 937 OH TYR A 64 11.957 -1.567 -3.522 1.00 0.00 O ATOM 0 H TYR A 64 8.236 2.703 -0.426 1.00 0.00 H new ATOM 0 HA TYR A 64 7.190 0.048 0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 64 9.707 1.505 1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.220 -0.107 1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 64 10.207 1.909 -1.239 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.822 -1.992 0.430 1.00 0.00 H new ATOM 0 HE1 TYR A 64 11.405 0.969 -3.165 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.023 -2.934 -1.493 1.00 0.00 H new ATOM 0 HH TYR A 64 12.035 -2.538 -3.415 1.00 0.00 H new ATOM 947 N ILE A 65 6.064 0.890 2.383 1.00 0.00 N ATOM 948 CA ILE A 65 5.357 1.364 3.566 1.00 0.00 C ATOM 949 C ILE A 65 5.301 0.286 4.643 1.00 0.00 C ATOM 950 O ILE A 65 5.278 -0.911 4.356 1.00 0.00 O ATOM 951 CB ILE A 65 3.922 1.807 3.224 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.057 0.592 2.886 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.934 2.794 2.066 1.00 0.00 C ATOM 954 CD1 ILE A 65 3.526 -0.162 1.661 1.00 0.00 C ATOM 0 H ILE A 65 5.714 0.009 2.007 1.00 0.00 H new ATOM 0 HA ILE A 65 5.914 2.222 3.943 1.00 0.00 H new ATOM 0 HB ILE A 65 3.494 2.304 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.049 -0.086 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.029 0.920 2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.913 3.098 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.520 3.671 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.378 2.321 1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.866 -1.011 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.508 0.501 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.543 -0.521 1.822 1.00 0.00 H new ATOM 966 N PRO A 66 5.277 0.718 5.912 1.00 0.00 N ATOM 967 CA PRO A 66 5.220 -0.195 7.058 1.00 0.00 C ATOM 968 C PRO A 66 3.874 -0.903 7.170 1.00 0.00 C ATOM 969 O PRO A 66 2.822 -0.278 7.045 1.00 0.00 O ATOM 970 CB PRO A 66 5.440 0.729 8.259 1.00 0.00 C ATOM 971 CG PRO A 66 4.981 2.068 7.795 1.00 0.00 C ATOM 972 CD PRO A 66 5.302 2.130 6.327 1.00 0.00 C ATOM 0 HA PRO A 66 5.956 -0.995 6.978 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.871 0.394 9.126 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.489 0.751 8.555 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.912 2.195 7.966 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.488 2.865 8.339 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.569 2.723 5.780 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.276 2.584 6.148 1.00 0.00 H new ATOM 980 N GLY A 67 3.916 -2.210 7.407 1.00 0.00 N ATOM 981 CA GLY A 67 2.693 -2.981 7.532 1.00 0.00 C ATOM 982 C GLY A 67 1.696 -2.337 8.475 1.00 0.00 C ATOM 983 O GLY A 67 0.486 -2.489 8.308 1.00 0.00 O ATOM 0 H GLY A 67 4.775 -2.749 7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.237 -3.095 6.549 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.933 -3.982 7.890 1.00 0.00 H new ATOM 987 N ILE A 68 2.205 -1.619 9.471 1.00 0.00 N ATOM 988 CA ILE A 68 1.350 -0.951 10.444 1.00 0.00 C ATOM 989 C ILE A 68 0.521 0.147 9.786 1.00 0.00 C ATOM 990 O ILE A 68 -0.592 0.445 10.223 1.00 0.00 O ATOM 991 CB ILE A 68 2.175 -0.338 11.591 1.00 0.00 C ATOM 992 CG1 ILE A 68 1.250 0.285 12.638 1.00 0.00 C ATOM 993 CG2 ILE A 68 3.145 0.702 11.049 1.00 0.00 C ATOM 994 CD1 ILE A 68 0.536 -0.736 13.497 1.00 0.00 C ATOM 0 H ILE A 68 3.204 -1.485 9.625 1.00 0.00 H new ATOM 0 HA ILE A 68 0.683 -1.711 10.852 1.00 0.00 H new ATOM 0 HB ILE A 68 2.751 -1.131 12.068 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.834 0.944 13.281 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.509 0.905 12.134 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.721 1.126 11.872 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.823 0.231 10.337 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.587 1.495 10.550 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.102 -0.223 14.217 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.075 -1.380 12.865 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.270 -1.341 14.029 1.00 0.00 H new ATOM 1006 N CYS A 69 1.069 0.744 8.734 1.00 0.00 N ATOM 1007 CA CYS A 69 0.379 1.809 8.014 1.00 0.00 C ATOM 1008 C CYS A 69 -0.583 1.232 6.981 1.00 0.00 C ATOM 1009 O CYS A 69 -1.149 1.963 6.168 1.00 0.00 O ATOM 1010 CB CYS A 69 1.392 2.728 7.329 1.00 0.00 C ATOM 1011 SG CYS A 69 2.114 3.975 8.420 1.00 0.00 S ATOM 0 H CYS A 69 1.989 0.509 8.360 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.197 2.389 8.735 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.193 2.119 6.910 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.904 3.230 6.494 1.00 0.00 H new ATOM 0 HG CYS A 69 2.959 4.701 7.750 1.00 0.00 H new ATOM 1017 N VAL A 70 -0.764 -0.084 7.019 1.00 0.00 N ATOM 1018 CA VAL A 70 -1.658 -0.760 6.086 1.00 0.00 C ATOM 1019 C VAL A 70 -2.287 -1.993 6.723 1.00 0.00 C ATOM 1020 O VAL A 70 -1.876 -2.426 7.799 1.00 0.00 O ATOM 1021 CB VAL A 70 -0.916 -1.180 4.803 1.00 0.00 C ATOM 1022 CG1 VAL A 70 -0.281 0.028 4.133 1.00 0.00 C ATOM 1023 CG2 VAL A 70 0.131 -2.238 5.116 1.00 0.00 C ATOM 0 H VAL A 70 -0.304 -0.703 7.686 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.442 -0.049 5.827 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.639 -1.610 4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.238 -0.289 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.056 0.749 3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.430 0.491 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.646 -2.523 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.853 -1.836 5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.354 -3.114 5.547 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.287 -2.555 6.051 1.00 0.00 N ATOM 1034 CA ALA A 71 -3.972 -3.740 6.551 1.00 0.00 C ATOM 1035 C ALA A 71 -4.097 -4.802 5.463 1.00 0.00 C ATOM 1036 O ALA A 71 -4.504 -4.507 4.339 1.00 0.00 O ATOM 1037 CB ALA A 71 -5.346 -3.369 7.088 1.00 0.00 C ATOM 0 H ALA A 71 -3.640 -2.208 5.159 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.377 -4.157 7.363 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.846 -4.264 7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.237 -2.652 7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.941 -2.925 6.290 1.00 0.00 H new ATOM 1043 N ARG A 72 -3.744 -6.037 5.804 1.00 0.00 N ATOM 1044 CA ARG A 72 -3.815 -7.141 4.855 1.00 0.00 C ATOM 1045 C ARG A 72 -5.265 -7.483 4.526 1.00 0.00 C ATOM 1046 O ARG A 72 -6.007 -7.972 5.378 1.00 0.00 O ATOM 1047 CB ARG A 72 -3.104 -8.373 5.419 1.00 0.00 C ATOM 1048 CG ARG A 72 -2.463 -9.247 4.354 1.00 0.00 C ATOM 1049 CD ARG A 72 -1.227 -9.957 4.887 1.00 0.00 C ATOM 1050 NE ARG A 72 -1.546 -11.272 5.436 1.00 0.00 N ATOM 1051 CZ ARG A 72 -1.944 -11.468 6.688 1.00 0.00 C ATOM 1052 NH1 ARG A 72 -2.072 -10.440 7.516 1.00 0.00 N ATOM 1053 NH2 ARG A 72 -2.215 -12.695 7.115 1.00 0.00 N ATOM 0 H ARG A 72 -3.406 -6.298 6.730 1.00 0.00 H new ATOM 0 HA ARG A 72 -3.316 -6.831 3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.336 -8.049 6.122 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.821 -8.969 5.983 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.185 -9.984 4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.190 -8.635 3.495 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.497 -10.066 4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.762 -9.345 5.660 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.458 -12.084 4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.865 -9.495 7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.378 -10.594 8.477 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.118 -13.489 6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.521 -12.844 8.077 1.00 0.00 H new ATOM 1067 N VAL A 73 -5.662 -7.222 3.285 1.00 0.00 N ATOM 1068 CA VAL A 73 -7.023 -7.503 2.843 1.00 0.00 C ATOM 1069 C VAL A 73 -7.156 -8.939 2.350 1.00 0.00 C ATOM 1070 O VAL A 73 -6.234 -9.487 1.746 1.00 0.00 O ATOM 1071 CB VAL A 73 -7.457 -6.544 1.718 1.00 0.00 C ATOM 1072 CG1 VAL A 73 -8.967 -6.580 1.538 1.00 0.00 C ATOM 1073 CG2 VAL A 73 -6.981 -5.129 2.012 1.00 0.00 C ATOM 0 H VAL A 73 -5.061 -6.816 2.568 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.672 -7.357 3.706 1.00 0.00 H new ATOM 0 HB VAL A 73 -6.996 -6.872 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.255 -5.896 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -9.279 -7.592 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.451 -6.277 2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.296 -4.465 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.412 -4.788 2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.894 -5.119 2.086 1.00 0.00 H new