USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 495 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.031) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.487 K(o=-0.49,f=-1.7) USER MOD Single : A 52 GLN : amide:sc= -0.0957 K(o=-0.096,f=-1.4) USER MOD Single : A 58 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.17) USER MOD Single : A 61 HIS : no HE2:sc= -2.59 K(o=-2.6,f=-3.2) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.043) USER MOD Single : A 66 TYR OH : rot 165:sc= -0.333 USER MOD Single : A 67 TYR OH : rot 150:sc= -3.3! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 161:sc= -0.0413 (180deg=-0.302) USER MOD Single : A 72 GLN : amide:sc= -0.0931 X(o=-0.093,f=0) USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 17 7.443 3.588 -10.173 1.00 0.00 N ATOM 181 CA ILE A 17 7.308 4.167 -8.842 1.00 0.00 C ATOM 182 C ILE A 17 8.070 5.483 -8.735 1.00 0.00 C ATOM 183 O ILE A 17 9.193 5.603 -9.225 1.00 0.00 O ATOM 184 CB ILE A 17 7.816 3.203 -7.754 1.00 0.00 C ATOM 185 CG1 ILE A 17 7.060 1.874 -7.826 1.00 0.00 C ATOM 186 CG2 ILE A 17 7.665 3.830 -6.377 1.00 0.00 C ATOM 187 CD1 ILE A 17 7.548 0.847 -6.828 1.00 0.00 C ATOM 0 HA ILE A 17 6.245 4.351 -8.685 1.00 0.00 H new ATOM 0 HB ILE A 17 8.874 3.008 -7.928 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.999 2.059 -7.656 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.155 1.465 -8.832 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.029 3.136 -5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.244 4.752 -6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.614 4.052 -6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.968 -0.069 -6.936 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.601 0.633 -7.011 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.427 1.236 -5.817 1.00 0.00 H new ATOM 199 N ILE A 18 7.453 6.467 -8.090 1.00 0.00 N ATOM 200 CA ILE A 18 8.075 7.774 -7.916 1.00 0.00 C ATOM 201 C ILE A 18 8.586 7.954 -6.490 1.00 0.00 C ATOM 202 O ILE A 18 7.888 7.676 -5.514 1.00 0.00 O ATOM 203 CB ILE A 18 7.092 8.913 -8.245 1.00 0.00 C ATOM 204 CG1 ILE A 18 6.548 8.753 -9.666 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.773 10.264 -8.082 1.00 0.00 C ATOM 206 CD1 ILE A 18 5.429 9.715 -9.997 1.00 0.00 C ATOM 0 H ILE A 18 6.523 6.384 -7.679 1.00 0.00 H new ATOM 0 HA ILE A 18 8.915 7.819 -8.609 1.00 0.00 H new ATOM 0 HB ILE A 18 6.255 8.863 -7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.362 8.897 -10.376 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.189 7.732 -9.796 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.066 11.059 -8.318 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.116 10.377 -7.053 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.626 10.325 -8.758 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.093 9.544 -11.020 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.598 9.556 -9.310 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.789 10.739 -9.900 1.00 0.00 H new ATOM 218 N PRO A 19 9.832 8.433 -6.365 1.00 0.00 N ATOM 219 CA PRO A 19 10.464 8.664 -5.062 1.00 0.00 C ATOM 220 C PRO A 19 9.835 9.833 -4.312 1.00 0.00 C ATOM 221 O PRO A 19 10.081 11.000 -4.614 1.00 0.00 O ATOM 222 CB PRO A 19 11.917 8.982 -5.424 1.00 0.00 C ATOM 223 CG PRO A 19 11.854 9.513 -6.815 1.00 0.00 C ATOM 224 CD PRO A 19 10.721 8.787 -7.485 1.00 0.00 C ATOM 0 HA PRO A 19 10.353 7.807 -4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.344 9.715 -4.740 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.543 8.091 -5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.682 10.589 -6.814 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.793 9.341 -7.341 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.215 9.419 -8.215 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.070 7.902 -8.017 1.00 0.00 H new ATOM 232 N PRO A 20 9.003 9.514 -3.309 1.00 0.00 N ATOM 233 CA PRO A 20 8.323 10.524 -2.493 1.00 0.00 C ATOM 234 C PRO A 20 9.285 11.281 -1.585 1.00 0.00 C ATOM 235 O PRO A 20 10.439 10.892 -1.401 1.00 0.00 O ATOM 236 CB PRO A 20 7.336 9.701 -1.660 1.00 0.00 C ATOM 237 CG PRO A 20 7.942 8.342 -1.590 1.00 0.00 C ATOM 238 CD PRO A 20 8.664 8.142 -2.893 1.00 0.00 C ATOM 0 HA PRO A 20 7.849 11.291 -3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.205 10.128 -0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.351 9.672 -2.127 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.629 8.264 -0.747 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.176 7.580 -1.448 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.556 7.528 -2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.034 7.643 -3.629 1.00 0.00 H new ATOM 246 N PRO A 21 8.803 12.388 -1.002 1.00 0.00 N ATOM 247 CA PRO A 21 9.605 13.222 -0.102 1.00 0.00 C ATOM 248 C PRO A 21 9.894 12.531 1.226 1.00 0.00 C ATOM 249 O PRO A 21 9.297 11.508 1.564 1.00 0.00 O ATOM 250 CB PRO A 21 8.725 14.455 0.118 1.00 0.00 C ATOM 251 CG PRO A 21 7.334 13.975 -0.118 1.00 0.00 C ATOM 252 CD PRO A 21 7.437 12.911 -1.176 1.00 0.00 C ATOM 0 HA PRO A 21 10.584 13.450 -0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.842 14.850 1.127 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.989 15.258 -0.571 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.899 13.574 0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.690 14.791 -0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.688 12.132 -1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.288 13.322 -2.175 1.00 0.00 H new ATOM 260 N PRO A 22 10.830 13.100 1.999 1.00 0.00 N ATOM 261 CA PRO A 22 11.218 12.555 3.304 1.00 0.00 C ATOM 262 C PRO A 22 10.119 12.714 4.349 1.00 0.00 C ATOM 263 O PRO A 22 10.189 12.129 5.430 1.00 0.00 O ATOM 264 CB PRO A 22 12.444 13.388 3.686 1.00 0.00 C ATOM 265 CG PRO A 22 12.275 14.671 2.948 1.00 0.00 C ATOM 266 CD PRO A 22 11.582 14.320 1.660 1.00 0.00 C ATOM 0 HA PRO A 22 11.412 11.483 3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.490 13.554 4.762 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.368 12.886 3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.684 15.380 3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.240 15.141 2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.921 15.121 1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.295 14.142 0.855 1.00 0.00 H new ATOM 274 N ASP A 23 9.106 13.507 4.019 1.00 0.00 N ATOM 275 CA ASP A 23 7.991 13.741 4.929 1.00 0.00 C ATOM 276 C ASP A 23 6.933 12.652 4.783 1.00 0.00 C ATOM 277 O ASP A 23 6.178 12.376 5.716 1.00 0.00 O ATOM 278 CB ASP A 23 7.368 15.113 4.664 1.00 0.00 C ATOM 279 CG ASP A 23 6.422 15.542 5.768 1.00 0.00 C ATOM 280 OD1 ASP A 23 5.228 15.185 5.698 1.00 0.00 O ATOM 281 OD2 ASP A 23 6.876 16.237 6.702 1.00 0.00 O ATOM 0 H ASP A 23 9.034 13.999 3.128 1.00 0.00 H new ATOM 0 HA ASP A 23 8.375 13.715 5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.160 15.854 4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.829 15.087 3.717 1.00 0.00 H new ATOM 286 N VAL A 24 6.882 12.036 3.606 1.00 0.00 N ATOM 287 CA VAL A 24 5.917 10.977 3.338 1.00 0.00 C ATOM 288 C VAL A 24 6.598 9.615 3.275 1.00 0.00 C ATOM 289 O VAL A 24 5.962 8.582 3.481 1.00 0.00 O ATOM 290 CB VAL A 24 5.165 11.224 2.017 1.00 0.00 C ATOM 291 CG1 VAL A 24 4.075 10.182 1.819 1.00 0.00 C ATOM 292 CG2 VAL A 24 4.582 12.629 1.991 1.00 0.00 C ATOM 0 H VAL A 24 7.498 12.253 2.823 1.00 0.00 H new ATOM 0 HA VAL A 24 5.203 10.985 4.161 1.00 0.00 H new ATOM 0 HB VAL A 24 5.874 11.134 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.555 10.373 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.522 9.188 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.365 10.236 2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.054 12.787 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.887 12.750 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.387 13.359 2.082 1.00 0.00 H new ATOM 302 N GLN A 25 7.897 9.622 2.990 1.00 0.00 N ATOM 303 CA GLN A 25 8.665 8.386 2.900 1.00 0.00 C ATOM 304 C GLN A 25 8.467 7.530 4.146 1.00 0.00 C ATOM 305 O GLN A 25 8.056 6.371 4.075 1.00 0.00 O ATOM 306 CB GLN A 25 10.150 8.696 2.710 1.00 0.00 C ATOM 307 CG GLN A 25 10.681 8.317 1.337 1.00 0.00 C ATOM 308 CD GLN A 25 12.193 8.211 1.305 1.00 0.00 C ATOM 309 OE1 GLN A 25 12.880 8.696 2.204 1.00 0.00 O ATOM 310 NE2 GLN A 25 12.720 7.576 0.265 1.00 0.00 N ATOM 0 H GLN A 25 8.439 10.469 2.818 1.00 0.00 H new ATOM 0 HA GLN A 25 8.305 7.826 2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.314 9.761 2.872 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.723 8.166 3.471 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.247 7.364 1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.357 9.060 0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.113 7.189 -0.458 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.732 7.475 0.189 1.00 0.00 H new ATOM 319 N PRO A 26 8.766 8.111 5.318 1.00 0.00 N ATOM 320 CA PRO A 26 8.629 7.419 6.603 1.00 0.00 C ATOM 321 C PRO A 26 7.171 7.182 6.981 1.00 0.00 C ATOM 322 O PRO A 26 6.871 6.388 7.872 1.00 0.00 O ATOM 323 CB PRO A 26 9.289 8.380 7.595 1.00 0.00 C ATOM 324 CG PRO A 26 9.169 9.722 6.960 1.00 0.00 C ATOM 325 CD PRO A 26 9.261 9.489 5.477 1.00 0.00 C ATOM 0 HA PRO A 26 9.082 6.428 6.583 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.789 8.354 8.563 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.332 8.116 7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.223 10.195 7.223 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.963 10.387 7.300 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.653 10.201 4.920 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.284 9.593 5.116 1.00 0.00 H new ATOM 333 N VAL A 27 6.266 7.876 6.296 1.00 0.00 N ATOM 334 CA VAL A 27 4.839 7.740 6.560 1.00 0.00 C ATOM 335 C VAL A 27 4.261 6.526 5.841 1.00 0.00 C ATOM 336 O VAL A 27 3.248 5.967 6.263 1.00 0.00 O ATOM 337 CB VAL A 27 4.065 8.998 6.122 1.00 0.00 C ATOM 338 CG1 VAL A 27 2.575 8.822 6.372 1.00 0.00 C ATOM 339 CG2 VAL A 27 4.594 10.227 6.846 1.00 0.00 C ATOM 0 H VAL A 27 6.497 8.538 5.555 1.00 0.00 H new ATOM 0 HA VAL A 27 4.727 7.609 7.636 1.00 0.00 H new ATOM 0 HB VAL A 27 4.215 9.142 5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.045 9.720 6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.209 7.966 5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.402 8.653 7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.036 11.107 6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.476 10.095 7.921 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.650 10.361 6.611 1.00 0.00 H new ATOM 349 N ILE A 28 4.911 6.124 4.755 1.00 0.00 N ATOM 350 CA ILE A 28 4.462 4.974 3.979 1.00 0.00 C ATOM 351 C ILE A 28 5.094 3.684 4.491 1.00 0.00 C ATOM 352 O ILE A 28 4.442 2.641 4.547 1.00 0.00 O ATOM 353 CB ILE A 28 4.798 5.138 2.485 1.00 0.00 C ATOM 354 CG1 ILE A 28 4.149 6.408 1.930 1.00 0.00 C ATOM 355 CG2 ILE A 28 4.339 3.917 1.702 1.00 0.00 C ATOM 356 CD1 ILE A 28 4.690 6.823 0.580 1.00 0.00 C ATOM 0 H ILE A 28 5.750 6.577 4.392 1.00 0.00 H new ATOM 0 HA ILE A 28 3.380 4.917 4.097 1.00 0.00 H new ATOM 0 HB ILE A 28 5.879 5.229 2.379 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.073 6.251 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.299 7.223 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.583 4.048 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.843 3.029 2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.261 3.798 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.185 7.730 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.760 7.013 0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.515 6.026 -0.143 1.00 0.00 H new ATOM 368 N ASP A 29 6.366 3.763 4.866 1.00 0.00 N ATOM 369 CA ASP A 29 7.086 2.603 5.377 1.00 0.00 C ATOM 370 C ASP A 29 6.507 2.150 6.714 1.00 0.00 C ATOM 371 O ASP A 29 6.319 0.956 6.949 1.00 0.00 O ATOM 372 CB ASP A 29 8.572 2.927 5.535 1.00 0.00 C ATOM 373 CG ASP A 29 9.325 1.843 6.282 1.00 0.00 C ATOM 374 OD1 ASP A 29 9.260 1.828 7.529 1.00 0.00 O ATOM 375 OD2 ASP A 29 9.980 1.011 5.619 1.00 0.00 O ATOM 0 H ASP A 29 6.920 4.619 4.826 1.00 0.00 H new ATOM 0 HA ASP A 29 6.974 1.791 4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.018 3.062 4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.680 3.873 6.066 1.00 0.00 H new ATOM 380 N LYS A 30 6.226 3.110 7.587 1.00 0.00 N ATOM 381 CA LYS A 30 5.667 2.812 8.901 1.00 0.00 C ATOM 382 C LYS A 30 4.371 2.018 8.773 1.00 0.00 C ATOM 383 O LYS A 30 4.020 1.237 9.658 1.00 0.00 O ATOM 384 CB LYS A 30 5.411 4.107 9.675 1.00 0.00 C ATOM 385 CG LYS A 30 5.059 3.882 11.136 1.00 0.00 C ATOM 386 CD LYS A 30 5.572 5.012 12.013 1.00 0.00 C ATOM 387 CE LYS A 30 4.670 5.236 13.217 1.00 0.00 C ATOM 388 NZ LYS A 30 5.267 4.691 14.467 1.00 0.00 N ATOM 0 H LYS A 30 6.376 4.103 7.409 1.00 0.00 H new ATOM 0 HA LYS A 30 6.390 2.207 9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.298 4.737 9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.600 4.654 9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.977 3.800 11.242 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.485 2.937 11.473 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.582 4.781 12.352 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.634 5.929 11.427 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.485 6.303 13.338 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.704 4.763 13.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.622 4.864 15.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.420 3.668 14.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.177 5.160 14.650 1.00 0.00 H new ATOM 402 N LEU A 31 3.664 2.223 7.667 1.00 0.00 N ATOM 403 CA LEU A 31 2.406 1.525 7.423 1.00 0.00 C ATOM 404 C LEU A 31 2.654 0.168 6.771 1.00 0.00 C ATOM 405 O LEU A 31 2.052 -0.834 7.153 1.00 0.00 O ATOM 406 CB LEU A 31 1.494 2.372 6.534 1.00 0.00 C ATOM 407 CG LEU A 31 0.061 1.867 6.369 1.00 0.00 C ATOM 408 CD1 LEU A 31 -0.651 1.833 7.713 1.00 0.00 C ATOM 409 CD2 LEU A 31 -0.702 2.739 5.382 1.00 0.00 C ATOM 0 H LEU A 31 3.940 2.866 6.925 1.00 0.00 H new ATOM 0 HA LEU A 31 1.917 1.362 8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.457 3.382 6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.948 2.444 5.546 1.00 0.00 H new ATOM 0 HG LEU A 31 0.097 0.852 5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.670 1.471 7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.117 1.167 8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.677 2.837 8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.720 2.364 5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.729 3.765 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.204 2.713 4.413 1.00 0.00 H new ATOM 421 N ALA A 32 3.546 0.145 5.786 1.00 0.00 N ATOM 422 CA ALA A 32 3.877 -1.089 5.084 1.00 0.00 C ATOM 423 C ALA A 32 4.261 -2.192 6.064 1.00 0.00 C ATOM 424 O ALA A 32 3.703 -3.289 6.026 1.00 0.00 O ATOM 425 CB ALA A 32 5.005 -0.845 4.092 1.00 0.00 C ATOM 0 H ALA A 32 4.052 0.967 5.456 1.00 0.00 H new ATOM 0 HA ALA A 32 2.992 -1.416 4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.242 -1.775 3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.694 -0.094 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.888 -0.491 4.625 1.00 0.00 H new ATOM 431 N GLU A 33 5.216 -1.894 6.939 1.00 0.00 N ATOM 432 CA GLU A 33 5.674 -2.863 7.927 1.00 0.00 C ATOM 433 C GLU A 33 4.513 -3.354 8.787 1.00 0.00 C ATOM 434 O GLU A 33 4.487 -4.509 9.214 1.00 0.00 O ATOM 435 CB GLU A 33 6.756 -2.246 8.816 1.00 0.00 C ATOM 436 CG GLU A 33 7.507 -3.264 9.658 1.00 0.00 C ATOM 437 CD GLU A 33 7.346 -3.022 11.146 1.00 0.00 C ATOM 438 OE1 GLU A 33 7.974 -2.076 11.666 1.00 0.00 O ATOM 439 OE2 GLU A 33 6.591 -3.779 11.791 1.00 0.00 O ATOM 0 H GLU A 33 5.687 -0.990 6.984 1.00 0.00 H new ATOM 0 HA GLU A 33 6.094 -3.716 7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.468 -1.710 8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.296 -1.510 9.476 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.150 -4.265 9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.566 -3.232 9.401 1.00 0.00 H new ATOM 446 N TYR A 34 3.556 -2.469 9.038 1.00 0.00 N ATOM 447 CA TYR A 34 2.393 -2.810 9.850 1.00 0.00 C ATOM 448 C TYR A 34 1.459 -3.751 9.095 1.00 0.00 C ATOM 449 O TYR A 34 1.129 -4.835 9.576 1.00 0.00 O ATOM 450 CB TYR A 34 1.639 -1.542 10.256 1.00 0.00 C ATOM 451 CG TYR A 34 1.075 -1.596 11.658 1.00 0.00 C ATOM 452 CD1 TYR A 34 1.855 -1.255 12.755 1.00 0.00 C ATOM 453 CD2 TYR A 34 -0.239 -1.987 11.884 1.00 0.00 C ATOM 454 CE1 TYR A 34 1.344 -1.304 14.038 1.00 0.00 C ATOM 455 CE2 TYR A 34 -0.759 -2.037 13.163 1.00 0.00 C ATOM 456 CZ TYR A 34 0.037 -1.695 14.236 1.00 0.00 C ATOM 457 OH TYR A 34 -0.476 -1.744 15.512 1.00 0.00 O ATOM 0 H TYR A 34 3.562 -1.510 8.691 1.00 0.00 H new ATOM 0 HA TYR A 34 2.744 -3.319 10.748 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.312 -0.688 10.177 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.824 -1.373 9.552 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.879 -0.946 12.603 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.864 -2.256 11.046 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.965 -1.038 14.881 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.783 -2.342 13.322 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.410 -2.038 15.478 1.00 0.00 H new ATOM 467 N VAL A 35 1.037 -3.328 7.908 1.00 0.00 N ATOM 468 CA VAL A 35 0.142 -4.133 7.084 1.00 0.00 C ATOM 469 C VAL A 35 0.763 -5.487 6.759 1.00 0.00 C ATOM 470 O VAL A 35 0.057 -6.480 6.585 1.00 0.00 O ATOM 471 CB VAL A 35 -0.209 -3.413 5.769 1.00 0.00 C ATOM 472 CG1 VAL A 35 -1.140 -4.268 4.923 1.00 0.00 C ATOM 473 CG2 VAL A 35 -0.833 -2.055 6.055 1.00 0.00 C ATOM 0 H VAL A 35 1.300 -2.433 7.495 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.770 -4.284 7.662 1.00 0.00 H new ATOM 0 HB VAL A 35 0.711 -3.254 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.377 -3.742 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.652 -5.214 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.059 -4.461 5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.075 -1.560 5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.744 -2.189 6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.128 -1.442 6.617 1.00 0.00 H new ATOM 483 N ALA A 36 2.089 -5.519 6.678 1.00 0.00 N ATOM 484 CA ALA A 36 2.807 -6.752 6.377 1.00 0.00 C ATOM 485 C ALA A 36 2.809 -7.693 7.576 1.00 0.00 C ATOM 486 O ALA A 36 2.828 -8.914 7.419 1.00 0.00 O ATOM 487 CB ALA A 36 4.232 -6.441 5.945 1.00 0.00 C ATOM 0 H ALA A 36 2.688 -4.705 6.817 1.00 0.00 H new ATOM 0 HA ALA A 36 2.292 -7.252 5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.756 -7.371 5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.213 -5.814 5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.749 -5.915 6.748 1.00 0.00 H new ATOM 493 N ARG A 37 2.790 -7.118 8.774 1.00 0.00 N ATOM 494 CA ARG A 37 2.791 -7.907 10.000 1.00 0.00 C ATOM 495 C ARG A 37 1.378 -8.358 10.358 1.00 0.00 C ATOM 496 O ARG A 37 1.122 -9.549 10.530 1.00 0.00 O ATOM 497 CB ARG A 37 3.387 -7.096 11.153 1.00 0.00 C ATOM 498 CG ARG A 37 4.778 -7.550 11.563 1.00 0.00 C ATOM 499 CD ARG A 37 4.726 -8.511 12.740 1.00 0.00 C ATOM 500 NE ARG A 37 5.978 -9.246 12.903 1.00 0.00 N ATOM 501 CZ ARG A 37 6.249 -10.012 13.954 1.00 0.00 C ATOM 502 NH1 ARG A 37 5.361 -10.143 14.929 1.00 0.00 N ATOM 503 NH2 ARG A 37 7.410 -10.649 14.030 1.00 0.00 N ATOM 0 H ARG A 37 2.774 -6.109 8.922 1.00 0.00 H new ATOM 0 HA ARG A 37 3.404 -8.792 9.832 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.427 -6.046 10.864 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.723 -7.164 12.015 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.268 -8.034 10.718 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.382 -6.682 11.827 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.511 -7.955 13.653 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.908 -9.216 12.596 1.00 0.00 H new ATOM 0 HE ARG A 37 6.683 -9.167 12.170 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.467 -9.655 14.874 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.572 -10.732 15.735 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.096 -10.551 13.281 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.617 -11.237 14.837 1.00 0.00 H new ATOM 517 N ASN A 38 0.466 -7.398 10.470 1.00 0.00 N ATOM 518 CA ASN A 38 -0.920 -7.696 10.809 1.00 0.00 C ATOM 519 C ASN A 38 -1.629 -8.382 9.645 1.00 0.00 C ATOM 520 O ASN A 38 -2.230 -9.443 9.808 1.00 0.00 O ATOM 521 CB ASN A 38 -1.662 -6.413 11.187 1.00 0.00 C ATOM 522 CG ASN A 38 -1.118 -5.783 12.456 1.00 0.00 C ATOM 523 OD1 ASN A 38 -1.679 -5.956 13.538 1.00 0.00 O ATOM 524 ND2 ASN A 38 -0.020 -5.048 12.327 1.00 0.00 N ATOM 0 H ASN A 38 0.662 -6.407 10.331 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.921 -8.373 11.663 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.586 -5.698 10.368 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.721 -6.634 11.320 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.392 -4.599 13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.411 -4.932 11.410 1.00 0.00 H new ATOM 531 N GLY A 39 -1.553 -7.768 8.468 1.00 0.00 N ATOM 532 CA GLY A 39 -2.191 -8.333 7.293 1.00 0.00 C ATOM 533 C GLY A 39 -2.882 -7.283 6.447 1.00 0.00 C ATOM 534 O GLY A 39 -3.119 -6.164 6.903 1.00 0.00 O ATOM 0 H GLY A 39 -1.061 -6.889 8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.443 -8.847 6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.920 -9.082 7.604 1.00 0.00 H new ATOM 538 N LEU A 40 -3.205 -7.641 5.209 1.00 0.00 N ATOM 539 CA LEU A 40 -3.871 -6.721 4.295 1.00 0.00 C ATOM 540 C LEU A 40 -5.186 -6.223 4.886 1.00 0.00 C ATOM 541 O LEU A 40 -5.658 -5.136 4.552 1.00 0.00 O ATOM 542 CB LEU A 40 -4.130 -7.403 2.950 1.00 0.00 C ATOM 543 CG LEU A 40 -3.240 -6.957 1.789 1.00 0.00 C ATOM 544 CD1 LEU A 40 -2.713 -8.163 1.026 1.00 0.00 C ATOM 545 CD2 LEU A 40 -4.005 -6.027 0.859 1.00 0.00 C ATOM 0 H LEU A 40 -3.016 -8.563 4.815 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.215 -5.864 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.010 -8.478 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.170 -7.230 2.672 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.389 -6.412 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.082 -7.826 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.129 -8.792 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.550 -8.737 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.357 -5.719 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.875 -6.548 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.332 -5.147 1.413 1.00 0.00 H new ATOM 557 N LYS A 41 -5.774 -7.025 5.768 1.00 0.00 N ATOM 558 CA LYS A 41 -7.033 -6.666 6.409 1.00 0.00 C ATOM 559 C LYS A 41 -6.939 -5.289 7.060 1.00 0.00 C ATOM 560 O LYS A 41 -7.921 -4.548 7.112 1.00 0.00 O ATOM 561 CB LYS A 41 -7.410 -7.713 7.460 1.00 0.00 C ATOM 562 CG LYS A 41 -8.288 -8.828 6.919 1.00 0.00 C ATOM 563 CD LYS A 41 -9.693 -8.762 7.493 1.00 0.00 C ATOM 564 CE LYS A 41 -10.742 -9.083 6.440 1.00 0.00 C ATOM 565 NZ LYS A 41 -11.996 -9.608 7.048 1.00 0.00 N ATOM 0 H LYS A 41 -5.398 -7.929 6.055 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.807 -6.634 5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.499 -8.147 7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.928 -7.220 8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.335 -8.760 5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.841 -9.793 7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.782 -9.464 8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.875 -7.766 7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.966 -8.185 5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.342 -9.818 5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.686 -9.815 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.787 -10.479 7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.392 -8.897 7.696 1.00 0.00 H new ATOM 579 N PHE A 42 -5.752 -4.952 7.552 1.00 0.00 N ATOM 580 CA PHE A 42 -5.530 -3.664 8.199 1.00 0.00 C ATOM 581 C PHE A 42 -5.711 -2.519 7.206 1.00 0.00 C ATOM 582 O PHE A 42 -6.174 -1.438 7.568 1.00 0.00 O ATOM 583 CB PHE A 42 -4.127 -3.610 8.807 1.00 0.00 C ATOM 584 CG PHE A 42 -3.880 -2.382 9.637 1.00 0.00 C ATOM 585 CD1 PHE A 42 -4.272 -2.338 10.965 1.00 0.00 C ATOM 586 CD2 PHE A 42 -3.256 -1.273 9.089 1.00 0.00 C ATOM 587 CE1 PHE A 42 -4.047 -1.210 11.731 1.00 0.00 C ATOM 588 CE2 PHE A 42 -3.028 -0.142 9.850 1.00 0.00 C ATOM 589 CZ PHE A 42 -3.424 -0.111 11.173 1.00 0.00 C ATOM 0 H PHE A 42 -4.929 -5.553 7.515 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.267 -3.552 8.994 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.974 -4.494 9.426 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.390 -3.651 8.005 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.759 -3.195 11.407 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.944 -1.293 8.055 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.358 -1.188 12.765 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.541 0.716 9.411 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.247 0.771 11.770 1.00 0.00 H new ATOM 599 N GLU A 43 -5.342 -2.766 5.953 1.00 0.00 N ATOM 600 CA GLU A 43 -5.463 -1.756 4.909 1.00 0.00 C ATOM 601 C GLU A 43 -6.914 -1.313 4.746 1.00 0.00 C ATOM 602 O GLU A 43 -7.189 -0.176 4.360 1.00 0.00 O ATOM 603 CB GLU A 43 -4.932 -2.298 3.580 1.00 0.00 C ATOM 604 CG GLU A 43 -4.626 -1.215 2.560 1.00 0.00 C ATOM 605 CD GLU A 43 -4.281 -1.779 1.195 1.00 0.00 C ATOM 606 OE1 GLU A 43 -4.227 -3.019 1.062 1.00 0.00 O ATOM 607 OE2 GLU A 43 -4.067 -0.979 0.260 1.00 0.00 O ATOM 0 H GLU A 43 -4.957 -3.656 5.637 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.868 -0.892 5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.026 -2.874 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.665 -2.985 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.488 -0.554 2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.795 -0.608 2.919 1.00 0.00 H new ATOM 614 N THR A 44 -7.841 -2.219 5.042 1.00 0.00 N ATOM 615 CA THR A 44 -9.263 -1.923 4.928 1.00 0.00 C ATOM 616 C THR A 44 -9.709 -0.938 6.002 1.00 0.00 C ATOM 617 O THR A 44 -10.665 -0.186 5.811 1.00 0.00 O ATOM 618 CB THR A 44 -10.114 -3.203 5.037 1.00 0.00 C ATOM 619 OG1 THR A 44 -9.501 -4.263 4.294 1.00 0.00 O ATOM 620 CG2 THR A 44 -11.523 -2.962 4.518 1.00 0.00 C ATOM 0 H THR A 44 -7.632 -3.164 5.363 1.00 0.00 H new ATOM 0 HA THR A 44 -9.414 -1.477 3.945 1.00 0.00 H new ATOM 0 HB THR A 44 -10.175 -3.484 6.088 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.047 -5.074 4.369 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.105 -3.880 4.605 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.997 -2.175 5.104 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.479 -2.659 3.472 1.00 0.00 H new ATOM 628 N SER A 45 -9.009 -0.946 7.133 1.00 0.00 N ATOM 629 CA SER A 45 -9.335 -0.055 8.240 1.00 0.00 C ATOM 630 C SER A 45 -8.829 1.358 7.967 1.00 0.00 C ATOM 631 O SER A 45 -9.580 2.329 8.064 1.00 0.00 O ATOM 632 CB SER A 45 -8.730 -0.583 9.542 1.00 0.00 C ATOM 633 OG SER A 45 -9.739 -1.063 10.415 1.00 0.00 O ATOM 0 H SER A 45 -8.213 -1.560 7.306 1.00 0.00 H new ATOM 0 HA SER A 45 -10.420 -0.021 8.339 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.025 -1.384 9.321 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.167 0.211 10.033 1.00 0.00 H new ATOM 0 HG SER A 45 -9.327 -1.397 11.239 1.00 0.00 H new ATOM 639 N VAL A 46 -7.549 1.465 7.624 1.00 0.00 N ATOM 640 CA VAL A 46 -6.940 2.758 7.335 1.00 0.00 C ATOM 641 C VAL A 46 -7.667 3.466 6.197 1.00 0.00 C ATOM 642 O VAL A 46 -7.780 4.692 6.186 1.00 0.00 O ATOM 643 CB VAL A 46 -5.453 2.609 6.965 1.00 0.00 C ATOM 644 CG1 VAL A 46 -5.293 1.716 5.744 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.824 3.973 6.725 1.00 0.00 C ATOM 0 H VAL A 46 -6.914 0.672 7.540 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.022 3.356 8.243 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.935 2.138 7.800 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.235 1.623 5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.704 0.730 5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.825 2.155 4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.773 3.848 6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.343 4.474 5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.905 4.575 7.630 1.00 0.00 H new ATOM 655 N ARG A 47 -8.159 2.685 5.241 1.00 0.00 N ATOM 656 CA ARG A 47 -8.875 3.236 4.097 1.00 0.00 C ATOM 657 C ARG A 47 -10.180 3.893 4.537 1.00 0.00 C ATOM 658 O ARG A 47 -10.539 4.967 4.055 1.00 0.00 O ATOM 659 CB ARG A 47 -9.165 2.139 3.072 1.00 0.00 C ATOM 660 CG ARG A 47 -8.187 2.119 1.908 1.00 0.00 C ATOM 661 CD ARG A 47 -8.350 0.863 1.065 1.00 0.00 C ATOM 662 NE ARG A 47 -9.235 1.080 -0.076 1.00 0.00 N ATOM 663 CZ ARG A 47 -8.866 1.716 -1.182 1.00 0.00 C ATOM 664 NH1 ARG A 47 -7.635 2.194 -1.296 1.00 0.00 N ATOM 665 NH2 ARG A 47 -9.729 1.874 -2.178 1.00 0.00 N ATOM 0 H ARG A 47 -8.075 1.668 5.236 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.243 3.995 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.141 1.171 3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.175 2.273 2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.343 3.000 1.285 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.167 2.174 2.288 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.373 0.536 0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.748 0.060 1.685 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.189 0.724 -0.021 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.969 2.074 -0.533 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.354 2.682 -2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.677 1.507 -2.095 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.444 2.363 -3.027 1.00 0.00 H new ATOM 679 N ALA A 48 -10.884 3.241 5.455 1.00 0.00 N ATOM 680 CA ALA A 48 -12.148 3.762 5.962 1.00 0.00 C ATOM 681 C ALA A 48 -11.988 5.190 6.470 1.00 0.00 C ATOM 682 O ALA A 48 -12.932 5.981 6.439 1.00 0.00 O ATOM 683 CB ALA A 48 -12.685 2.863 7.066 1.00 0.00 C ATOM 0 H ALA A 48 -10.601 2.350 5.864 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.864 3.775 5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.629 3.264 7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.846 1.860 6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.965 2.820 7.883 1.00 0.00 H new ATOM 689 N LYS A 49 -10.789 5.516 6.939 1.00 0.00 N ATOM 690 CA LYS A 49 -10.504 6.850 7.455 1.00 0.00 C ATOM 691 C LYS A 49 -10.445 7.869 6.322 1.00 0.00 C ATOM 692 O LYS A 49 -11.042 8.941 6.407 1.00 0.00 O ATOM 693 CB LYS A 49 -9.182 6.850 8.225 1.00 0.00 C ATOM 694 CG LYS A 49 -9.049 5.698 9.206 1.00 0.00 C ATOM 695 CD LYS A 49 -7.768 5.801 10.017 1.00 0.00 C ATOM 696 CE LYS A 49 -7.767 4.825 11.183 1.00 0.00 C ATOM 697 NZ LYS A 49 -6.404 4.647 11.756 1.00 0.00 N ATOM 0 H LYS A 49 -9.997 4.874 6.973 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.311 7.131 8.132 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.357 6.808 7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.087 7.791 8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.907 5.691 9.878 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.062 4.753 8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.911 5.601 9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.654 6.818 10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.443 5.185 11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.150 3.860 10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.446 3.975 12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.765 4.279 11.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.049 5.563 12.098 1.00 0.00 H new ATOM 711 N ASN A 50 -9.722 7.527 5.260 1.00 0.00 N ATOM 712 CA ASN A 50 -9.586 8.413 4.110 1.00 0.00 C ATOM 713 C ASN A 50 -9.091 9.790 4.539 1.00 0.00 C ATOM 714 O ASN A 50 -9.376 10.795 3.887 1.00 0.00 O ATOM 715 CB ASN A 50 -10.924 8.544 3.380 1.00 0.00 C ATOM 716 CG ASN A 50 -10.783 9.219 2.029 1.00 0.00 C ATOM 717 OD1 ASN A 50 -9.717 9.183 1.414 1.00 0.00 O ATOM 718 ND2 ASN A 50 -11.860 9.838 1.562 1.00 0.00 N ATOM 0 H ASN A 50 -9.221 6.643 5.172 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.851 7.978 3.433 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.359 7.554 3.245 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.617 9.115 3.998 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.825 10.310 0.658 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.722 9.842 2.107 1.00 0.00 H new ATOM 725 N ASP A 51 -8.348 9.829 5.640 1.00 0.00 N ATOM 726 CA ASP A 51 -7.811 11.083 6.156 1.00 0.00 C ATOM 727 C ASP A 51 -6.739 11.640 5.225 1.00 0.00 C ATOM 728 O ASP A 51 -6.136 10.901 4.447 1.00 0.00 O ATOM 729 CB ASP A 51 -7.230 10.875 7.556 1.00 0.00 C ATOM 730 CG ASP A 51 -7.389 12.100 8.436 1.00 0.00 C ATOM 731 OD1 ASP A 51 -8.534 12.403 8.831 1.00 0.00 O ATOM 732 OD2 ASP A 51 -6.367 12.754 8.731 1.00 0.00 O ATOM 0 H ASP A 51 -8.104 9.007 6.192 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.627 11.803 6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.723 10.025 8.028 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.172 10.625 7.474 1.00 0.00 H new ATOM 737 N GLN A 52 -6.510 12.946 5.309 1.00 0.00 N ATOM 738 CA GLN A 52 -5.512 13.601 4.472 1.00 0.00 C ATOM 739 C GLN A 52 -4.145 12.947 4.641 1.00 0.00 C ATOM 740 O GLN A 52 -3.311 12.986 3.736 1.00 0.00 O ATOM 741 CB GLN A 52 -5.425 15.089 4.816 1.00 0.00 C ATOM 742 CG GLN A 52 -4.877 15.944 3.684 1.00 0.00 C ATOM 743 CD GLN A 52 -3.932 17.024 4.173 1.00 0.00 C ATOM 744 OE1 GLN A 52 -3.913 17.359 5.358 1.00 0.00 O ATOM 745 NE2 GLN A 52 -3.139 17.574 3.261 1.00 0.00 N ATOM 0 H GLN A 52 -7.002 13.571 5.948 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.819 13.493 3.432 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.418 15.450 5.085 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.792 15.214 5.694 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.355 15.305 2.971 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.706 16.407 3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.188 17.266 2.290 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.481 18.305 3.532 1.00 0.00 H new ATOM 754 N ARG A 53 -3.921 12.347 5.806 1.00 0.00 N ATOM 755 CA ARG A 53 -2.654 11.686 6.094 1.00 0.00 C ATOM 756 C ARG A 53 -2.600 10.307 5.442 1.00 0.00 C ATOM 757 O ARG A 53 -1.523 9.799 5.128 1.00 0.00 O ATOM 758 CB ARG A 53 -2.455 11.556 7.605 1.00 0.00 C ATOM 759 CG ARG A 53 -1.856 12.795 8.249 1.00 0.00 C ATOM 760 CD ARG A 53 -1.632 12.596 9.740 1.00 0.00 C ATOM 761 NE ARG A 53 -0.302 12.066 10.028 1.00 0.00 N ATOM 762 CZ ARG A 53 0.116 11.755 11.249 1.00 0.00 C ATOM 763 NH1 ARG A 53 -0.688 11.918 12.291 1.00 0.00 N ATOM 764 NH2 ARG A 53 1.342 11.278 11.431 1.00 0.00 N ATOM 0 H ARG A 53 -4.601 12.305 6.565 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.851 12.296 5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.416 11.343 8.072 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.807 10.703 7.806 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.908 13.035 7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.519 13.645 8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.763 13.547 10.256 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.387 11.914 10.132 1.00 0.00 H new ATOM 0 HE ARG A 53 0.341 11.927 9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.631 12.283 12.156 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.364 11.678 13.228 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.963 11.150 10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.662 11.039 12.370 1.00 0.00 H new ATOM 778 N PHE A 54 -3.769 9.706 5.243 1.00 0.00 N ATOM 779 CA PHE A 54 -3.855 8.386 4.630 1.00 0.00 C ATOM 780 C PHE A 54 -4.456 8.473 3.230 1.00 0.00 C ATOM 781 O PHE A 54 -5.334 7.690 2.871 1.00 0.00 O ATOM 782 CB PHE A 54 -4.695 7.450 5.501 1.00 0.00 C ATOM 783 CG PHE A 54 -4.056 7.123 6.820 1.00 0.00 C ATOM 784 CD1 PHE A 54 -2.825 6.490 6.871 1.00 0.00 C ATOM 785 CD2 PHE A 54 -4.687 7.449 8.010 1.00 0.00 C ATOM 786 CE1 PHE A 54 -2.234 6.188 8.083 1.00 0.00 C ATOM 787 CE2 PHE A 54 -4.101 7.150 9.225 1.00 0.00 C ATOM 788 CZ PHE A 54 -2.874 6.518 9.262 1.00 0.00 C ATOM 0 H PHE A 54 -4.669 10.112 5.497 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.845 7.985 4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.667 7.909 5.681 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.876 6.524 4.955 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.321 6.229 5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.648 7.942 7.987 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.273 5.695 8.109 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.602 7.411 10.145 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.415 6.282 10.211 1.00 0.00 H new ATOM 798 N GLU A 55 -3.976 9.433 2.446 1.00 0.00 N ATOM 799 CA GLU A 55 -4.467 9.624 1.086 1.00 0.00 C ATOM 800 C GLU A 55 -3.605 8.862 0.084 1.00 0.00 C ATOM 801 O GLU A 55 -4.092 8.406 -0.950 1.00 0.00 O ATOM 802 CB GLU A 55 -4.486 11.113 0.731 1.00 0.00 C ATOM 803 CG GLU A 55 -3.129 11.786 0.857 1.00 0.00 C ATOM 804 CD GLU A 55 -3.172 13.257 0.491 1.00 0.00 C ATOM 805 OE1 GLU A 55 -4.272 13.762 0.188 1.00 0.00 O ATOM 806 OE2 GLU A 55 -2.103 13.902 0.508 1.00 0.00 O ATOM 0 H GLU A 55 -3.249 10.090 2.729 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.483 9.233 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.847 11.230 -0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.197 11.624 1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.769 11.680 1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.413 11.276 0.213 1.00 0.00 H new ATOM 813 N PHE A 56 -2.320 8.730 0.398 1.00 0.00 N ATOM 814 CA PHE A 56 -1.389 8.025 -0.475 1.00 0.00 C ATOM 815 C PHE A 56 -1.861 6.597 -0.734 1.00 0.00 C ATOM 816 O PHE A 56 -1.528 5.997 -1.757 1.00 0.00 O ATOM 817 CB PHE A 56 0.010 8.007 0.145 1.00 0.00 C ATOM 818 CG PHE A 56 0.086 7.233 1.430 1.00 0.00 C ATOM 819 CD1 PHE A 56 -0.291 7.817 2.629 1.00 0.00 C ATOM 820 CD2 PHE A 56 0.534 5.922 1.440 1.00 0.00 C ATOM 821 CE1 PHE A 56 -0.221 7.108 3.813 1.00 0.00 C ATOM 822 CE2 PHE A 56 0.606 5.208 2.621 1.00 0.00 C ATOM 823 CZ PHE A 56 0.227 5.801 3.809 1.00 0.00 C ATOM 0 H PHE A 56 -1.900 9.102 1.250 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.351 8.554 -1.427 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.711 7.577 -0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.331 9.032 0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.643 8.838 2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.831 5.452 0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.516 7.575 4.741 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.958 4.187 2.615 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.281 5.244 4.733 1.00 0.00 H new ATOM 833 N LEU A 57 -2.637 6.059 0.199 1.00 0.00 N ATOM 834 CA LEU A 57 -3.156 4.701 0.073 1.00 0.00 C ATOM 835 C LEU A 57 -4.208 4.619 -1.028 1.00 0.00 C ATOM 836 O LEU A 57 -4.420 3.561 -1.619 1.00 0.00 O ATOM 837 CB LEU A 57 -3.755 4.237 1.402 1.00 0.00 C ATOM 838 CG LEU A 57 -2.755 3.807 2.476 1.00 0.00 C ATOM 839 CD1 LEU A 57 -3.309 4.084 3.864 1.00 0.00 C ATOM 840 CD2 LEU A 57 -2.409 2.333 2.322 1.00 0.00 C ATOM 0 H LEU A 57 -2.921 6.542 1.051 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.327 4.046 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.365 5.046 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.426 3.401 1.203 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.843 4.390 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.583 3.771 4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.505 5.151 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.237 3.529 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.696 2.044 3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.314 1.734 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.968 2.163 1.340 1.00 0.00 H new ATOM 852 N GLN A 58 -4.861 5.745 -1.299 1.00 0.00 N ATOM 853 CA GLN A 58 -5.890 5.800 -2.331 1.00 0.00 C ATOM 854 C GLN A 58 -5.343 5.320 -3.671 1.00 0.00 C ATOM 855 O GLN A 58 -4.144 5.388 -3.941 1.00 0.00 O ATOM 856 CB GLN A 58 -6.428 7.225 -2.468 1.00 0.00 C ATOM 857 CG GLN A 58 -7.195 7.706 -1.246 1.00 0.00 C ATOM 858 CD GLN A 58 -8.375 6.816 -0.911 1.00 0.00 C ATOM 859 OE1 GLN A 58 -9.448 6.938 -1.502 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.183 5.912 0.044 1.00 0.00 N ATOM 0 H GLN A 58 -4.696 6.630 -0.819 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.704 5.139 -2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.595 7.903 -2.654 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.081 7.276 -3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.520 7.746 -0.391 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.549 8.722 -1.421 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.277 5.845 0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.941 5.285 0.313 1.00 0.00 H new ATOM 869 N PRO A 59 -6.242 4.821 -4.533 1.00 0.00 N ATOM 870 CA PRO A 59 -5.873 4.320 -5.860 1.00 0.00 C ATOM 871 C PRO A 59 -5.443 5.438 -6.804 1.00 0.00 C ATOM 872 O PRO A 59 -4.407 5.343 -7.462 1.00 0.00 O ATOM 873 CB PRO A 59 -7.161 3.662 -6.362 1.00 0.00 C ATOM 874 CG PRO A 59 -8.253 4.361 -5.628 1.00 0.00 C ATOM 875 CD PRO A 59 -7.688 4.710 -4.279 1.00 0.00 C ATOM 0 HA PRO A 59 -5.021 3.642 -5.816 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.271 3.778 -7.440 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.166 2.592 -6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.571 5.257 -6.162 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.130 3.721 -5.530 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.102 5.644 -3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.908 3.940 -3.540 1.00 0.00 H new ATOM 883 N TRP A 60 -6.244 6.495 -6.864 1.00 0.00 N ATOM 884 CA TRP A 60 -5.945 7.632 -7.727 1.00 0.00 C ATOM 885 C TRP A 60 -4.579 8.224 -7.395 1.00 0.00 C ATOM 886 O TRP A 60 -3.887 8.744 -8.271 1.00 0.00 O ATOM 887 CB TRP A 60 -7.027 8.704 -7.586 1.00 0.00 C ATOM 888 CG TRP A 60 -7.122 9.274 -6.203 1.00 0.00 C ATOM 889 CD1 TRP A 60 -7.944 8.851 -5.198 1.00 0.00 C ATOM 890 CD2 TRP A 60 -6.370 10.372 -5.675 1.00 0.00 C ATOM 891 NE1 TRP A 60 -7.748 9.620 -4.076 1.00 0.00 N ATOM 892 CE2 TRP A 60 -6.787 10.560 -4.343 1.00 0.00 C ATOM 893 CE3 TRP A 60 -5.384 11.213 -6.197 1.00 0.00 C ATOM 894 CZ2 TRP A 60 -6.252 11.555 -3.529 1.00 0.00 C ATOM 895 CZ3 TRP A 60 -4.855 12.201 -5.388 1.00 0.00 C ATOM 896 CH2 TRP A 60 -5.288 12.364 -4.066 1.00 0.00 C ATOM 0 H TRP A 60 -7.105 6.589 -6.326 1.00 0.00 H new ATOM 0 HA TRP A 60 -5.926 7.278 -8.758 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.823 9.510 -8.290 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -7.991 8.276 -7.862 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -8.645 8.033 -5.274 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -8.238 9.509 -3.188 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -5.041 11.093 -7.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.586 11.684 -2.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -4.094 12.859 -5.782 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.852 13.144 -3.459 1.00 0.00 H new ATOM 907 N HIS A 61 -4.196 8.141 -6.124 1.00 0.00 N ATOM 908 CA HIS A 61 -2.912 8.668 -5.677 1.00 0.00 C ATOM 909 C HIS A 61 -1.759 7.953 -6.374 1.00 0.00 C ATOM 910 O HIS A 61 -1.860 6.772 -6.707 1.00 0.00 O ATOM 911 CB HIS A 61 -2.777 8.522 -4.161 1.00 0.00 C ATOM 912 CG HIS A 61 -2.355 9.784 -3.473 1.00 0.00 C ATOM 913 ND1 HIS A 61 -1.099 10.335 -3.615 1.00 0.00 N ATOM 914 CD2 HIS A 61 -3.032 10.603 -2.635 1.00 0.00 C ATOM 915 CE1 HIS A 61 -1.021 11.438 -2.892 1.00 0.00 C ATOM 916 NE2 HIS A 61 -2.181 11.624 -2.289 1.00 0.00 N ATOM 0 H HIS A 61 -4.757 7.714 -5.387 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.870 9.726 -5.937 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.732 8.195 -3.749 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.051 7.739 -3.943 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -0.348 9.951 -4.188 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.051 10.477 -2.301 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.156 12.079 -2.808 1.00 0.00 H new ATOM 924 N GLN A 62 -0.665 8.676 -6.591 1.00 0.00 N ATOM 925 CA GLN A 62 0.506 8.109 -7.250 1.00 0.00 C ATOM 926 C GLN A 62 1.411 7.407 -6.243 1.00 0.00 C ATOM 927 O GLN A 62 2.021 6.382 -6.550 1.00 0.00 O ATOM 928 CB GLN A 62 1.288 9.205 -7.977 1.00 0.00 C ATOM 929 CG GLN A 62 1.717 10.349 -7.073 1.00 0.00 C ATOM 930 CD GLN A 62 2.551 11.386 -7.800 1.00 0.00 C ATOM 931 OE1 GLN A 62 2.362 11.626 -8.993 1.00 0.00 O ATOM 932 NE2 GLN A 62 3.480 12.007 -7.083 1.00 0.00 N ATOM 0 H GLN A 62 -0.565 9.654 -6.321 1.00 0.00 H new ATOM 0 HA GLN A 62 0.162 7.373 -7.977 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.173 8.764 -8.436 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.674 9.602 -8.785 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.832 10.828 -6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.289 9.950 -6.235 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.602 11.776 -6.097 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.072 12.715 -7.518 1.00 0.00 H new ATOM 941 N TYR A 63 1.493 7.964 -5.040 1.00 0.00 N ATOM 942 CA TYR A 63 2.325 7.392 -3.988 1.00 0.00 C ATOM 943 C TYR A 63 1.921 5.950 -3.697 1.00 0.00 C ATOM 944 O TYR A 63 2.734 5.146 -3.241 1.00 0.00 O ATOM 945 CB TYR A 63 2.219 8.230 -2.712 1.00 0.00 C ATOM 946 CG TYR A 63 2.837 9.604 -2.838 1.00 0.00 C ATOM 947 CD1 TYR A 63 4.066 9.780 -3.463 1.00 0.00 C ATOM 948 CD2 TYR A 63 2.194 10.726 -2.330 1.00 0.00 C ATOM 949 CE1 TYR A 63 4.635 11.033 -3.579 1.00 0.00 C ATOM 950 CE2 TYR A 63 2.755 11.983 -2.443 1.00 0.00 C ATOM 951 CZ TYR A 63 3.975 12.132 -3.068 1.00 0.00 C ATOM 952 OH TYR A 63 4.538 13.382 -3.181 1.00 0.00 O ATOM 0 H TYR A 63 0.993 8.811 -4.769 1.00 0.00 H new ATOM 0 HA TYR A 63 3.359 7.398 -4.334 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.168 8.337 -2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.704 7.696 -1.895 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.585 8.922 -3.865 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.239 10.613 -1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.591 11.152 -4.067 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.241 12.845 -2.044 1.00 0.00 H new ATOM 0 HH TYR A 63 3.945 14.046 -2.771 1.00 0.00 H new ATOM 962 N ASN A 64 0.660 5.630 -3.966 1.00 0.00 N ATOM 963 CA ASN A 64 0.146 4.285 -3.734 1.00 0.00 C ATOM 964 C ASN A 64 1.039 3.240 -4.396 1.00 0.00 C ATOM 965 O ASN A 64 1.160 2.115 -3.912 1.00 0.00 O ATOM 966 CB ASN A 64 -1.283 4.163 -4.266 1.00 0.00 C ATOM 967 CG ASN A 64 -1.819 2.748 -4.164 1.00 0.00 C ATOM 968 OD1 ASN A 64 -1.763 1.980 -5.124 1.00 0.00 O ATOM 969 ND2 ASN A 64 -2.343 2.397 -2.995 1.00 0.00 N ATOM 0 H ASN A 64 -0.025 6.284 -4.345 1.00 0.00 H new ATOM 0 HA ASN A 64 0.142 4.105 -2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.934 4.836 -3.708 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.309 4.484 -5.307 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.720 1.458 -2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.369 3.067 -2.226 1.00 0.00 H new ATOM 976 N ALA A 65 1.663 3.621 -5.506 1.00 0.00 N ATOM 977 CA ALA A 65 2.546 2.718 -6.234 1.00 0.00 C ATOM 978 C ALA A 65 3.747 2.320 -5.383 1.00 0.00 C ATOM 979 O ALA A 65 4.121 1.148 -5.330 1.00 0.00 O ATOM 980 CB ALA A 65 3.008 3.365 -7.532 1.00 0.00 C ATOM 0 H ALA A 65 1.573 4.549 -5.921 1.00 0.00 H new ATOM 0 HA ALA A 65 1.986 1.813 -6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.667 2.680 -8.066 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.142 3.593 -8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.547 4.286 -7.308 1.00 0.00 H new ATOM 986 N TYR A 66 4.346 3.302 -4.719 1.00 0.00 N ATOM 987 CA TYR A 66 5.507 3.054 -3.872 1.00 0.00 C ATOM 988 C TYR A 66 5.128 2.205 -2.662 1.00 0.00 C ATOM 989 O TYR A 66 5.947 1.451 -2.137 1.00 0.00 O ATOM 990 CB TYR A 66 6.118 4.377 -3.408 1.00 0.00 C ATOM 991 CG TYR A 66 7.263 4.207 -2.434 1.00 0.00 C ATOM 992 CD1 TYR A 66 8.571 4.082 -2.885 1.00 0.00 C ATOM 993 CD2 TYR A 66 7.036 4.173 -1.064 1.00 0.00 C ATOM 994 CE1 TYR A 66 9.620 3.926 -1.999 1.00 0.00 C ATOM 995 CE2 TYR A 66 8.078 4.019 -0.171 1.00 0.00 C ATOM 996 CZ TYR A 66 9.368 3.895 -0.643 1.00 0.00 C ATOM 997 OH TYR A 66 10.410 3.741 0.243 1.00 0.00 O ATOM 0 H TYR A 66 4.047 4.277 -4.751 1.00 0.00 H new ATOM 0 HA TYR A 66 6.244 2.507 -4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.472 4.929 -4.279 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.341 4.982 -2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.771 4.107 -3.946 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.027 4.269 -0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 66 10.631 3.829 -2.366 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.884 3.996 0.891 1.00 0.00 H new ATOM 0 HH TYR A 66 10.110 3.977 1.145 1.00 0.00 H new ATOM 1007 N TYR A 67 3.880 2.333 -2.226 1.00 0.00 N ATOM 1008 CA TYR A 67 3.390 1.579 -1.078 1.00 0.00 C ATOM 1009 C TYR A 67 3.249 0.099 -1.418 1.00 0.00 C ATOM 1010 O TYR A 67 3.541 -0.768 -0.595 1.00 0.00 O ATOM 1011 CB TYR A 67 2.045 2.138 -0.611 1.00 0.00 C ATOM 1012 CG TYR A 67 1.375 1.295 0.450 1.00 0.00 C ATOM 1013 CD1 TYR A 67 1.944 1.144 1.709 1.00 0.00 C ATOM 1014 CD2 TYR A 67 0.171 0.649 0.195 1.00 0.00 C ATOM 1015 CE1 TYR A 67 1.336 0.374 2.681 1.00 0.00 C ATOM 1016 CE2 TYR A 67 -0.445 -0.122 1.162 1.00 0.00 C ATOM 1017 CZ TYR A 67 0.141 -0.257 2.403 1.00 0.00 C ATOM 1018 OH TYR A 67 -0.469 -1.023 3.369 1.00 0.00 O ATOM 0 H TYR A 67 3.189 2.952 -2.650 1.00 0.00 H new ATOM 0 HA TYR A 67 4.117 1.680 -0.272 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.195 3.145 -0.222 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.379 2.224 -1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.878 1.638 1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.291 0.751 -0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.793 0.266 3.653 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.381 -0.616 0.947 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.440 -0.999 3.240 1.00 0.00 H new ATOM 1028 N GLU A 68 2.799 -0.181 -2.637 1.00 0.00 N ATOM 1029 CA GLU A 68 2.619 -1.557 -3.087 1.00 0.00 C ATOM 1030 C GLU A 68 3.940 -2.319 -3.049 1.00 0.00 C ATOM 1031 O GLU A 68 3.964 -3.533 -2.843 1.00 0.00 O ATOM 1032 CB GLU A 68 2.042 -1.582 -4.504 1.00 0.00 C ATOM 1033 CG GLU A 68 0.523 -1.602 -4.543 1.00 0.00 C ATOM 1034 CD GLU A 68 -0.030 -2.916 -5.058 1.00 0.00 C ATOM 1035 OE1 GLU A 68 0.654 -3.950 -4.900 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -1.145 -2.912 -5.620 1.00 0.00 O ATOM 0 H GLU A 68 2.553 0.526 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 68 1.919 -2.046 -2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.399 -0.708 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.422 -2.460 -5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.135 -1.417 -3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.169 -0.789 -5.177 1.00 0.00 H new ATOM 1043 N PHE A 69 5.038 -1.598 -3.252 1.00 0.00 N ATOM 1044 CA PHE A 69 6.364 -2.206 -3.243 1.00 0.00 C ATOM 1045 C PHE A 69 6.836 -2.460 -1.814 1.00 0.00 C ATOM 1046 O PHE A 69 7.248 -3.569 -1.472 1.00 0.00 O ATOM 1047 CB PHE A 69 7.365 -1.306 -3.971 1.00 0.00 C ATOM 1048 CG PHE A 69 8.783 -1.795 -3.884 1.00 0.00 C ATOM 1049 CD1 PHE A 69 9.595 -1.418 -2.827 1.00 0.00 C ATOM 1050 CD2 PHE A 69 9.303 -2.630 -4.859 1.00 0.00 C ATOM 1051 CE1 PHE A 69 10.901 -1.866 -2.745 1.00 0.00 C ATOM 1052 CE2 PHE A 69 10.607 -3.081 -4.783 1.00 0.00 C ATOM 1053 CZ PHE A 69 11.407 -2.699 -3.724 1.00 0.00 C ATOM 0 H PHE A 69 5.036 -0.593 -3.425 1.00 0.00 H new ATOM 0 HA PHE A 69 6.302 -3.163 -3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.078 -1.231 -5.020 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.309 -0.301 -3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.204 -0.767 -2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.682 -2.932 -5.689 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.525 -1.565 -1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.000 -3.731 -5.551 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.426 -3.051 -3.661 1.00 0.00 H new ATOM 1063 N LYS A 70 6.774 -1.425 -0.984 1.00 0.00 N ATOM 1064 CA LYS A 70 7.194 -1.534 0.408 1.00 0.00 C ATOM 1065 C LYS A 70 6.372 -2.588 1.143 1.00 0.00 C ATOM 1066 O LYS A 70 6.859 -3.231 2.074 1.00 0.00 O ATOM 1067 CB LYS A 70 7.056 -0.181 1.111 1.00 0.00 C ATOM 1068 CG LYS A 70 8.255 0.184 1.968 1.00 0.00 C ATOM 1069 CD LYS A 70 9.405 0.708 1.125 1.00 0.00 C ATOM 1070 CE LYS A 70 10.752 0.309 1.708 1.00 0.00 C ATOM 1071 NZ LYS A 70 11.742 -0.017 0.645 1.00 0.00 N ATOM 0 H LYS A 70 6.437 -0.500 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 70 8.240 -1.839 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.907 0.595 0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.164 -0.195 1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.965 0.939 2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.583 -0.692 2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.318 0.322 0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.343 1.794 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.136 1.122 2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.624 -0.554 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.647 -0.284 1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.388 -0.809 0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.884 0.814 0.036 1.00 0.00 H new ATOM 1085 N LYS A 71 5.125 -2.760 0.720 1.00 0.00 N ATOM 1086 CA LYS A 71 4.236 -3.738 1.336 1.00 0.00 C ATOM 1087 C LYS A 71 4.745 -5.157 1.106 1.00 0.00 C ATOM 1088 O LYS A 71 4.738 -5.984 2.018 1.00 0.00 O ATOM 1089 CB LYS A 71 2.820 -3.596 0.774 1.00 0.00 C ATOM 1090 CG LYS A 71 1.807 -4.514 1.435 1.00 0.00 C ATOM 1091 CD LYS A 71 0.416 -3.904 1.435 1.00 0.00 C ATOM 1092 CE LYS A 71 -0.232 -3.993 0.061 1.00 0.00 C ATOM 1093 NZ LYS A 71 -0.543 -5.400 -0.314 1.00 0.00 N ATOM 0 H LYS A 71 4.706 -2.235 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 71 4.215 -3.547 2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.493 -2.563 0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.841 -3.803 -0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.786 -5.470 0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.115 -4.719 2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.208 -4.418 2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.475 -2.860 1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.149 -3.404 0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.434 -3.557 -0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.251 -5.408 -1.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.324 -5.871 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.919 -5.905 0.514 1.00 0.00 H new ATOM 1107 N GLN A 72 5.187 -5.432 -0.117 1.00 0.00 N ATOM 1108 CA GLN A 72 5.700 -6.751 -0.465 1.00 0.00 C ATOM 1109 C GLN A 72 7.071 -6.984 0.160 1.00 0.00 C ATOM 1110 O GLN A 72 7.418 -8.109 0.519 1.00 0.00 O ATOM 1111 CB GLN A 72 5.786 -6.904 -1.985 1.00 0.00 C ATOM 1112 CG GLN A 72 5.464 -8.306 -2.475 1.00 0.00 C ATOM 1113 CD GLN A 72 6.579 -8.904 -3.310 1.00 0.00 C ATOM 1114 OE1 GLN A 72 7.046 -10.011 -3.042 1.00 0.00 O ATOM 1115 NE2 GLN A 72 7.012 -8.172 -4.330 1.00 0.00 N ATOM 0 H GLN A 72 5.200 -4.759 -0.883 1.00 0.00 H new ATOM 0 HA GLN A 72 5.010 -7.497 -0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.099 -6.198 -2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.790 -6.636 -2.312 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.272 -8.951 -1.618 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.548 -8.279 -3.065 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.596 -7.259 -4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.761 -8.522 -4.928 1.00 0.00 H new ATOM 1124 N PHE A 73 7.848 -5.913 0.286 1.00 0.00 N ATOM 1125 CA PHE A 73 9.183 -6.001 0.866 1.00 0.00 C ATOM 1126 C PHE A 73 9.133 -6.637 2.252 1.00 0.00 C ATOM 1127 O PHE A 73 9.707 -7.702 2.481 1.00 0.00 O ATOM 1128 CB PHE A 73 9.817 -4.611 0.953 1.00 0.00 C ATOM 1129 CG PHE A 73 11.217 -4.624 1.497 1.00 0.00 C ATOM 1130 CD1 PHE A 73 12.256 -5.166 0.759 1.00 0.00 C ATOM 1131 CD2 PHE A 73 11.493 -4.094 2.747 1.00 0.00 C ATOM 1132 CE1 PHE A 73 13.546 -5.179 1.256 1.00 0.00 C ATOM 1133 CE2 PHE A 73 12.780 -4.104 3.250 1.00 0.00 C ATOM 1134 CZ PHE A 73 13.808 -4.648 2.504 1.00 0.00 C ATOM 0 H PHE A 73 7.576 -4.974 -0.006 1.00 0.00 H new ATOM 0 HA PHE A 73 9.793 -6.631 0.218 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.826 -4.162 -0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.196 -3.976 1.585 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.056 -5.584 -0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.693 -3.668 3.335 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.347 -5.604 0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.982 -3.687 4.225 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.814 -4.658 2.896 1.00 0.00 H new ATOM 1144 N PHE A 74 8.442 -5.976 3.175 1.00 0.00 N ATOM 1145 CA PHE A 74 8.317 -6.475 4.540 1.00 0.00 C ATOM 1146 C PHE A 74 7.651 -7.847 4.558 1.00 0.00 C ATOM 1147 O PHE A 74 7.976 -8.697 5.389 1.00 0.00 O ATOM 1148 CB PHE A 74 7.511 -5.493 5.392 1.00 0.00 C ATOM 1149 CG PHE A 74 8.286 -4.270 5.793 1.00 0.00 C ATOM 1150 CD1 PHE A 74 9.281 -4.349 6.754 1.00 0.00 C ATOM 1151 CD2 PHE A 74 8.020 -3.043 5.209 1.00 0.00 C ATOM 1152 CE1 PHE A 74 9.995 -3.226 7.125 1.00 0.00 C ATOM 1153 CE2 PHE A 74 8.731 -1.916 5.576 1.00 0.00 C ATOM 1154 CZ PHE A 74 9.721 -2.008 6.535 1.00 0.00 C ATOM 0 H PHE A 74 7.960 -5.094 3.003 1.00 0.00 H new ATOM 0 HA PHE A 74 9.319 -6.571 4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.625 -5.186 4.837 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.164 -6.004 6.290 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.501 -5.299 7.218 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.248 -2.966 4.458 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.767 -3.301 7.876 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.513 -0.965 5.114 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.279 -1.129 6.823 1.00 0.00 H new ATOM 1164 N LEU A 75 6.716 -8.057 3.638 1.00 0.00 N ATOM 1165 CA LEU A 75 6.003 -9.327 3.547 1.00 0.00 C ATOM 1166 C LEU A 75 6.962 -10.469 3.230 1.00 0.00 C ATOM 1167 O LEU A 75 6.865 -11.552 3.807 1.00 0.00 O ATOM 1168 CB LEU A 75 4.914 -9.247 2.476 1.00 0.00 C ATOM 1169 CG LEU A 75 3.585 -8.631 2.914 1.00 0.00 C ATOM 1170 CD1 LEU A 75 2.705 -8.347 1.707 1.00 0.00 C ATOM 1171 CD2 LEU A 75 2.870 -9.548 3.894 1.00 0.00 C ATOM 0 H LEU A 75 6.434 -7.364 2.944 1.00 0.00 H new ATOM 0 HA LEU A 75 5.540 -9.525 4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.300 -8.669 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.720 -10.254 2.107 1.00 0.00 H new ATOM 0 HG LEU A 75 3.792 -7.686 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.763 -7.909 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.215 -7.651 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.505 -9.277 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.926 -9.094 4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.675 -10.509 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.496 -9.700 4.773 1.00 0.00 H new