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= -0.21 K(o=-0.21,f=-1.8!) 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= -0.239 X(o=-0.24,f=0) 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= -0.263 X(o=-0.26,f=-0.62) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 58 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.8) USER MOD Single : A 61 HIS : no HE2:sc= -2.29 K(o=-2.3,f=-3) USER MOD Single : A 62 GLN : amide:sc= -0.058 X(o=-0.058,f=-0.25) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -23:sc= -1.32 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -115:sc= 0.935 (180deg=-0.141) USER MOD Single : A 72 GLN : amide:sc= -0.0252 X(o=-0.025,f=0) USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 17 6.585 3.734 -10.634 1.00 0.00 N ATOM 181 CA ILE A 17 6.661 4.231 -9.266 1.00 0.00 C ATOM 182 C ILE A 17 7.454 5.532 -9.197 1.00 0.00 C ATOM 183 O ILE A 17 8.458 5.696 -9.891 1.00 0.00 O ATOM 184 CB ILE A 17 7.311 3.197 -8.327 1.00 0.00 C ATOM 185 CG1 ILE A 17 6.581 1.856 -8.426 1.00 0.00 C ATOM 186 CG2 ILE A 17 7.305 3.706 -6.894 1.00 0.00 C ATOM 187 CD1 ILE A 17 7.262 0.740 -7.665 1.00 0.00 C ATOM 0 HA ILE A 17 5.637 4.414 -8.939 1.00 0.00 H new ATOM 0 HB ILE A 17 8.346 3.049 -8.634 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.566 1.976 -8.048 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.500 1.572 -9.475 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.767 2.964 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.866 4.639 -6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.278 3.880 -6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.690 -0.181 -7.780 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.268 0.593 -8.058 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.320 1.002 -6.609 1.00 0.00 H new ATOM 199 N ILE A 18 6.996 6.453 -8.355 1.00 0.00 N ATOM 200 CA ILE A 18 7.664 7.738 -8.194 1.00 0.00 C ATOM 201 C ILE A 18 8.251 7.881 -6.793 1.00 0.00 C ATOM 202 O ILE A 18 7.595 7.607 -5.788 1.00 0.00 O ATOM 203 CB ILE A 18 6.700 8.910 -8.456 1.00 0.00 C ATOM 204 CG1 ILE A 18 6.081 8.787 -9.850 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.429 10.238 -8.309 1.00 0.00 C ATOM 206 CD1 ILE A 18 5.029 9.835 -10.138 1.00 0.00 C ATOM 0 H ILE A 18 6.166 6.333 -7.775 1.00 0.00 H new ATOM 0 HA ILE A 18 8.469 7.769 -8.928 1.00 0.00 H new ATOM 0 HB ILE A 18 5.898 8.874 -7.718 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.871 8.862 -10.597 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.635 7.798 -9.955 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.735 11.057 -8.497 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.827 10.325 -7.298 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.248 10.285 -9.027 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.634 9.687 -11.143 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.220 9.747 -9.413 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.474 10.827 -10.066 1.00 0.00 H new ATOM 218 N PRO A 19 9.516 8.322 -6.724 1.00 0.00 N ATOM 219 CA PRO A 19 10.218 8.513 -5.451 1.00 0.00 C ATOM 220 C PRO A 19 9.661 9.687 -4.653 1.00 0.00 C ATOM 221 O PRO A 19 9.926 10.852 -4.950 1.00 0.00 O ATOM 222 CB PRO A 19 11.660 8.795 -5.881 1.00 0.00 C ATOM 223 CG PRO A 19 11.543 9.350 -7.258 1.00 0.00 C ATOM 224 CD PRO A 19 10.357 8.667 -7.881 1.00 0.00 C ATOM 0 HA PRO A 19 10.115 7.649 -4.795 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.142 9.504 -5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.261 7.886 -5.870 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.402 10.431 -7.232 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.449 9.160 -7.833 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.834 9.324 -8.576 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.653 7.780 -8.442 1.00 0.00 H new ATOM 232 N PRO A 20 8.872 9.376 -3.614 1.00 0.00 N ATOM 233 CA PRO A 20 8.262 10.393 -2.751 1.00 0.00 C ATOM 234 C PRO A 20 9.291 11.107 -1.882 1.00 0.00 C ATOM 235 O PRO A 20 10.440 10.682 -1.762 1.00 0.00 O ATOM 236 CB PRO A 20 7.295 9.586 -1.882 1.00 0.00 C ATOM 237 CG PRO A 20 7.863 8.208 -1.861 1.00 0.00 C ATOM 238 CD PRO A 20 8.514 8.009 -3.202 1.00 0.00 C ATOM 0 HA PRO A 20 7.780 11.183 -3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.226 10.001 -0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.288 9.593 -2.299 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.588 8.097 -1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.082 7.466 -1.692 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.393 7.368 -3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.834 7.540 -3.913 1.00 0.00 H new ATOM 246 N PRO A 21 8.871 12.218 -1.258 1.00 0.00 N ATOM 247 CA PRO A 21 9.741 13.014 -0.388 1.00 0.00 C ATOM 248 C PRO A 21 10.075 12.293 0.914 1.00 0.00 C ATOM 249 O PRO A 21 9.453 11.294 1.276 1.00 0.00 O ATOM 250 CB PRO A 21 8.909 14.268 -0.106 1.00 0.00 C ATOM 251 CG PRO A 21 7.495 13.831 -0.278 1.00 0.00 C ATOM 252 CD PRO A 21 7.514 12.782 -1.356 1.00 0.00 C ATOM 0 HA PRO A 21 10.704 13.221 -0.854 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.088 14.643 0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.161 15.074 -0.796 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.095 13.427 0.652 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.859 14.670 -0.561 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.750 12.022 -1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.328 13.213 -2.340 1.00 0.00 H new ATOM 260 N PRO A 22 11.081 12.809 1.635 1.00 0.00 N ATOM 261 CA PRO A 22 11.520 12.230 2.909 1.00 0.00 C ATOM 262 C PRO A 22 10.493 12.425 4.019 1.00 0.00 C ATOM 263 O PRO A 22 10.592 11.814 5.083 1.00 0.00 O ATOM 264 CB PRO A 22 12.803 13.002 3.226 1.00 0.00 C ATOM 265 CG PRO A 22 12.650 14.300 2.512 1.00 0.00 C ATOM 266 CD PRO A 22 11.867 13.998 1.265 1.00 0.00 C ATOM 0 HA PRO A 22 11.661 11.151 2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.920 13.152 4.299 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.685 12.462 2.882 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.128 15.028 3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.622 14.728 2.268 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.225 14.832 0.982 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.523 13.798 0.417 1.00 0.00 H new ATOM 274 N ASP A 23 9.508 13.279 3.764 1.00 0.00 N ATOM 275 CA ASP A 23 8.461 13.554 4.742 1.00 0.00 C ATOM 276 C ASP A 23 7.337 12.529 4.636 1.00 0.00 C ATOM 277 O ASP A 23 6.621 12.275 5.604 1.00 0.00 O ATOM 278 CB ASP A 23 7.904 14.964 4.541 1.00 0.00 C ATOM 279 CG ASP A 23 7.512 15.623 5.849 1.00 0.00 C ATOM 280 OD1 ASP A 23 6.423 15.304 6.371 1.00 0.00 O ATOM 281 OD2 ASP A 23 8.294 16.457 6.351 1.00 0.00 O ATOM 0 H ASP A 23 9.412 13.793 2.888 1.00 0.00 H new ATOM 0 HA ASP A 23 8.899 13.484 5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.651 15.578 4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.034 14.918 3.886 1.00 0.00 H new ATOM 286 N VAL A 24 7.186 11.943 3.452 1.00 0.00 N ATOM 287 CA VAL A 24 6.149 10.945 3.219 1.00 0.00 C ATOM 288 C VAL A 24 6.745 9.546 3.114 1.00 0.00 C ATOM 289 O VAL A 24 6.059 8.550 3.341 1.00 0.00 O ATOM 290 CB VAL A 24 5.355 11.251 1.935 1.00 0.00 C ATOM 291 CG1 VAL A 24 4.179 10.295 1.794 1.00 0.00 C ATOM 292 CG2 VAL A 24 4.881 12.696 1.934 1.00 0.00 C ATOM 0 H VAL A 24 7.769 12.143 2.639 1.00 0.00 H new ATOM 0 HA VAL A 24 5.474 10.985 4.074 1.00 0.00 H new ATOM 0 HB VAL A 24 6.013 11.108 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.630 10.526 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.547 9.270 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.517 10.403 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.322 12.895 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.238 12.869 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.743 13.362 1.984 1.00 0.00 H new ATOM 302 N GLN A 25 8.027 9.480 2.769 1.00 0.00 N ATOM 303 CA GLN A 25 8.716 8.202 2.633 1.00 0.00 C ATOM 304 C GLN A 25 8.525 7.346 3.881 1.00 0.00 C ATOM 305 O GLN A 25 8.044 6.214 3.820 1.00 0.00 O ATOM 306 CB GLN A 25 10.207 8.427 2.378 1.00 0.00 C ATOM 307 CG GLN A 25 10.655 8.010 0.986 1.00 0.00 C ATOM 308 CD GLN A 25 12.040 7.393 0.980 1.00 0.00 C ATOM 309 OE1 GLN A 25 12.473 6.799 1.968 1.00 0.00 O ATOM 310 NE2 GLN A 25 12.745 7.532 -0.137 1.00 0.00 N ATOM 0 H GLN A 25 8.609 10.296 2.579 1.00 0.00 H new ATOM 0 HA GLN A 25 8.285 7.674 1.782 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.437 9.482 2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.782 7.870 3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.941 7.295 0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.646 8.880 0.329 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.347 8.032 -0.932 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.684 7.139 -0.200 1.00 0.00 H new ATOM 319 N PRO A 26 8.912 7.896 5.042 1.00 0.00 N ATOM 320 CA PRO A 26 8.793 7.200 6.326 1.00 0.00 C ATOM 321 C PRO A 26 7.342 7.046 6.770 1.00 0.00 C ATOM 322 O PRO A 26 7.037 6.260 7.668 1.00 0.00 O ATOM 323 CB PRO A 26 9.554 8.110 7.294 1.00 0.00 C ATOM 324 CG PRO A 26 9.484 9.464 6.676 1.00 0.00 C ATOM 325 CD PRO A 26 9.494 9.241 5.189 1.00 0.00 C ATOM 0 HA PRO A 26 9.184 6.184 6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.099 8.103 8.284 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.587 7.783 7.415 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.580 9.988 6.986 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.330 10.078 6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.904 9.994 4.666 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.504 9.288 4.782 1.00 0.00 H new ATOM 333 N VAL A 27 6.450 7.800 6.135 1.00 0.00 N ATOM 334 CA VAL A 27 5.031 7.745 6.463 1.00 0.00 C ATOM 335 C VAL A 27 4.345 6.588 5.746 1.00 0.00 C ATOM 336 O VAL A 27 3.321 6.080 6.204 1.00 0.00 O ATOM 337 CB VAL A 27 4.318 9.059 6.092 1.00 0.00 C ATOM 338 CG1 VAL A 27 2.833 8.969 6.410 1.00 0.00 C ATOM 339 CG2 VAL A 27 4.957 10.234 6.817 1.00 0.00 C ATOM 0 H VAL A 27 6.686 8.456 5.390 1.00 0.00 H new ATOM 0 HA VAL A 27 4.961 7.593 7.540 1.00 0.00 H new ATOM 0 HB VAL A 27 4.426 9.221 5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.346 9.906 6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.388 8.153 5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.700 8.783 7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.441 11.154 6.543 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.881 10.082 7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.007 10.309 6.534 1.00 0.00 H new ATOM 349 N ILE A 28 4.916 6.175 4.619 1.00 0.00 N ATOM 350 CA ILE A 28 4.361 5.076 3.839 1.00 0.00 C ATOM 351 C ILE A 28 4.974 3.743 4.254 1.00 0.00 C ATOM 352 O ILE A 28 4.287 2.723 4.311 1.00 0.00 O ATOM 353 CB ILE A 28 4.587 5.286 2.331 1.00 0.00 C ATOM 354 CG1 ILE A 28 3.952 6.601 1.875 1.00 0.00 C ATOM 355 CG2 ILE A 28 4.019 4.116 1.542 1.00 0.00 C ATOM 356 CD1 ILE A 28 4.371 7.026 0.485 1.00 0.00 C ATOM 0 H ILE A 28 5.763 6.585 4.226 1.00 0.00 H new ATOM 0 HA ILE A 28 3.289 5.057 4.038 1.00 0.00 H new ATOM 0 HB ILE A 28 5.660 5.339 2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.867 6.500 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.217 7.387 2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.187 4.279 0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.514 3.195 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.949 4.034 1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.882 7.966 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.452 7.160 0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.081 6.259 -0.233 1.00 0.00 H new ATOM 368 N ASP A 29 6.270 3.759 4.544 1.00 0.00 N ATOM 369 CA ASP A 29 6.977 2.552 4.956 1.00 0.00 C ATOM 370 C ASP A 29 6.522 2.102 6.341 1.00 0.00 C ATOM 371 O ASP A 29 6.473 0.907 6.633 1.00 0.00 O ATOM 372 CB ASP A 29 8.487 2.793 4.955 1.00 0.00 C ATOM 373 CG ASP A 29 9.250 1.694 5.669 1.00 0.00 C ATOM 374 OD1 ASP A 29 9.274 1.704 6.917 1.00 0.00 O ATOM 375 OD2 ASP A 29 9.821 0.825 4.978 1.00 0.00 O ATOM 0 H ASP A 29 6.853 4.595 4.501 1.00 0.00 H new ATOM 0 HA ASP A 29 6.743 1.763 4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.839 2.866 3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.700 3.749 5.434 1.00 0.00 H new ATOM 380 N LYS A 30 6.191 3.068 7.192 1.00 0.00 N ATOM 381 CA LYS A 30 5.740 2.774 8.547 1.00 0.00 C ATOM 382 C LYS A 30 4.508 1.874 8.526 1.00 0.00 C ATOM 383 O LYS A 30 4.410 0.922 9.302 1.00 0.00 O ATOM 384 CB LYS A 30 5.424 4.071 9.295 1.00 0.00 C ATOM 385 CG LYS A 30 4.928 3.850 10.713 1.00 0.00 C ATOM 386 CD LYS A 30 3.412 3.914 10.790 1.00 0.00 C ATOM 387 CE LYS A 30 2.937 4.192 12.207 1.00 0.00 C ATOM 388 NZ LYS A 30 1.672 4.978 12.224 1.00 0.00 N ATOM 0 H LYS A 30 6.227 4.062 6.967 1.00 0.00 H new ATOM 0 HA LYS A 30 6.543 2.250 9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.320 4.691 9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.670 4.627 8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.271 2.880 11.072 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.359 4.604 11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.045 4.694 10.123 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.989 2.972 10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.785 3.248 12.731 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.710 4.737 12.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.381 5.147 13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.823 5.889 11.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.927 4.447 11.729 1.00 0.00 H new ATOM 402 N LEU A 31 3.572 2.180 7.635 1.00 0.00 N ATOM 403 CA LEU A 31 2.347 1.397 7.513 1.00 0.00 C ATOM 404 C LEU A 31 2.610 0.084 6.783 1.00 0.00 C ATOM 405 O LEU A 31 1.960 -0.926 7.048 1.00 0.00 O ATOM 406 CB LEU A 31 1.277 2.201 6.771 1.00 0.00 C ATOM 407 CG LEU A 31 -0.174 1.873 7.125 1.00 0.00 C ATOM 408 CD1 LEU A 31 -0.494 2.329 8.540 1.00 0.00 C ATOM 409 CD2 LEU A 31 -1.125 2.518 6.127 1.00 0.00 C ATOM 0 H LEU A 31 3.637 2.964 6.986 1.00 0.00 H new ATOM 0 HA LEU A 31 1.990 1.167 8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.447 3.260 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.413 2.047 5.700 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.305 0.792 7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.531 2.087 8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.165 1.821 9.244 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.346 3.406 8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.153 2.274 6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.992 3.600 6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.912 2.143 5.126 1.00 0.00 H new ATOM 421 N ALA A 32 3.569 0.107 5.863 1.00 0.00 N ATOM 422 CA ALA A 32 3.922 -1.083 5.097 1.00 0.00 C ATOM 423 C ALA A 32 4.316 -2.232 6.019 1.00 0.00 C ATOM 424 O ALA A 32 3.953 -3.383 5.781 1.00 0.00 O ATOM 425 CB ALA A 32 5.051 -0.771 4.127 1.00 0.00 C ATOM 0 H ALA A 32 4.115 0.936 5.630 1.00 0.00 H new ATOM 0 HA ALA A 32 3.045 -1.392 4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.304 -1.668 3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.734 0.013 3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.926 -0.434 4.683 1.00 0.00 H new ATOM 431 N GLU A 33 5.062 -1.911 7.072 1.00 0.00 N ATOM 432 CA GLU A 33 5.507 -2.918 8.028 1.00 0.00 C ATOM 433 C GLU A 33 4.344 -3.401 8.890 1.00 0.00 C ATOM 434 O GLU A 33 4.254 -4.582 9.225 1.00 0.00 O ATOM 435 CB GLU A 33 6.616 -2.353 8.919 1.00 0.00 C ATOM 436 CG GLU A 33 7.311 -3.405 9.766 1.00 0.00 C ATOM 437 CD GLU A 33 8.478 -2.842 10.553 1.00 0.00 C ATOM 438 OE1 GLU A 33 8.250 -1.942 11.389 1.00 0.00 O ATOM 439 OE2 GLU A 33 9.618 -3.301 10.335 1.00 0.00 O ATOM 0 H GLU A 33 5.370 -0.962 7.284 1.00 0.00 H new ATOM 0 HA GLU A 33 5.898 -3.767 7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.356 -1.856 8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.192 -1.593 9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.591 -3.845 10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.666 -4.209 9.121 1.00 0.00 H new ATOM 446 N TYR A 34 3.456 -2.479 9.245 1.00 0.00 N ATOM 447 CA TYR A 34 2.300 -2.809 10.070 1.00 0.00 C ATOM 448 C TYR A 34 1.388 -3.804 9.358 1.00 0.00 C ATOM 449 O TYR A 34 1.127 -4.896 9.862 1.00 0.00 O ATOM 450 CB TYR A 34 1.517 -1.542 10.419 1.00 0.00 C ATOM 451 CG TYR A 34 0.931 -1.557 11.812 1.00 0.00 C ATOM 452 CD1 TYR A 34 1.700 -1.203 12.914 1.00 0.00 C ATOM 453 CD2 TYR A 34 -0.391 -1.925 12.028 1.00 0.00 C ATOM 454 CE1 TYR A 34 1.170 -1.215 14.190 1.00 0.00 C ATOM 455 CE2 TYR A 34 -0.931 -1.939 13.300 1.00 0.00 C ATOM 456 CZ TYR A 34 -0.146 -1.583 14.377 1.00 0.00 C ATOM 457 OH TYR A 34 -0.680 -1.597 15.646 1.00 0.00 O ATOM 0 H TYR A 34 3.515 -1.497 8.974 1.00 0.00 H new ATOM 0 HA TYR A 34 2.662 -3.269 10.989 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.176 -0.679 10.320 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.711 -1.412 9.696 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.730 -0.913 12.771 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.008 -2.205 11.187 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.782 -0.938 15.035 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.961 -2.227 13.450 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.618 -1.878 15.603 1.00 0.00 H new ATOM 467 N VAL A 35 0.908 -3.418 8.180 1.00 0.00 N ATOM 468 CA VAL A 35 0.027 -4.275 7.396 1.00 0.00 C ATOM 469 C VAL A 35 0.706 -5.596 7.054 1.00 0.00 C ATOM 470 O VAL A 35 0.049 -6.628 6.921 1.00 0.00 O ATOM 471 CB VAL A 35 -0.413 -3.583 6.091 1.00 0.00 C ATOM 472 CG1 VAL A 35 -1.364 -4.476 5.308 1.00 0.00 C ATOM 473 CG2 VAL A 35 -1.057 -2.239 6.393 1.00 0.00 C ATOM 0 H VAL A 35 1.115 -2.517 7.748 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.852 -4.471 8.010 1.00 0.00 H new ATOM 0 HB VAL A 35 0.470 -3.407 5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.664 -3.971 4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.863 -5.412 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.247 -4.685 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.362 -1.764 5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.931 -2.389 7.027 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.340 -1.600 6.909 1.00 0.00 H new ATOM 483 N ALA A 36 2.027 -5.556 6.912 1.00 0.00 N ATOM 484 CA ALA A 36 2.797 -6.750 6.588 1.00 0.00 C ATOM 485 C ALA A 36 2.770 -7.750 7.739 1.00 0.00 C ATOM 486 O ALA A 36 2.931 -8.953 7.533 1.00 0.00 O ATOM 487 CB ALA A 36 4.232 -6.376 6.245 1.00 0.00 C ATOM 0 H ALA A 36 2.586 -4.709 7.016 1.00 0.00 H new ATOM 0 HA ALA A 36 2.339 -7.223 5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.796 -7.278 6.005 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.238 -5.705 5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.692 -5.877 7.098 1.00 0.00 H new ATOM 493 N ARG A 37 2.566 -7.244 8.951 1.00 0.00 N ATOM 494 CA ARG A 37 2.520 -8.094 10.135 1.00 0.00 C ATOM 495 C ARG A 37 1.079 -8.432 10.506 1.00 0.00 C ATOM 496 O ARG A 37 0.723 -9.601 10.647 1.00 0.00 O ATOM 497 CB ARG A 37 3.211 -7.402 11.312 1.00 0.00 C ATOM 498 CG ARG A 37 4.589 -7.964 11.625 1.00 0.00 C ATOM 499 CD ARG A 37 5.288 -7.153 12.705 1.00 0.00 C ATOM 500 NE ARG A 37 6.674 -7.574 12.893 1.00 0.00 N ATOM 501 CZ ARG A 37 7.028 -8.647 13.591 1.00 0.00 C ATOM 502 NH1 ARG A 37 6.103 -9.404 14.164 1.00 0.00 N ATOM 503 NH2 ARG A 37 8.311 -8.964 13.717 1.00 0.00 N ATOM 0 H ARG A 37 2.430 -6.251 9.139 1.00 0.00 H new ATOM 0 HA ARG A 37 3.046 -9.021 9.907 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.303 -6.338 11.094 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.581 -7.493 12.197 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.496 -9.000 11.950 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.196 -7.967 10.720 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.263 -6.096 12.439 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.746 -7.258 13.645 1.00 0.00 H new ATOM 0 HE ARG A 37 7.410 -7.013 12.465 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.116 -9.163 14.069 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.378 -10.228 14.699 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.025 -8.383 13.278 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.582 -9.788 14.253 1.00 0.00 H new ATOM 517 N ASN A 38 0.255 -7.401 10.662 1.00 0.00 N ATOM 518 CA ASN A 38 -1.147 -7.589 11.017 1.00 0.00 C ATOM 519 C ASN A 38 -1.893 -8.331 9.912 1.00 0.00 C ATOM 520 O ASN A 38 -2.414 -9.425 10.126 1.00 0.00 O ATOM 521 CB ASN A 38 -1.814 -6.238 11.279 1.00 0.00 C ATOM 522 CG ASN A 38 -1.581 -5.743 12.693 1.00 0.00 C ATOM 523 OD1 ASN A 38 -2.393 -5.979 13.587 1.00 0.00 O ATOM 524 ND2 ASN A 38 -0.466 -5.051 12.902 1.00 0.00 N ATOM 0 H ASN A 38 0.534 -6.427 10.548 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.188 -8.189 11.926 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.430 -5.503 10.572 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.886 -6.324 11.099 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.256 -4.692 13.833 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.179 -4.879 12.131 1.00 0.00 H new ATOM 531 N GLY A 39 -1.938 -7.728 8.727 1.00 0.00 N ATOM 532 CA GLY A 39 -2.621 -8.346 7.606 1.00 0.00 C ATOM 533 C GLY A 39 -3.289 -7.329 6.702 1.00 0.00 C ATOM 534 O GLY A 39 -3.514 -6.185 7.102 1.00 0.00 O ATOM 0 H GLY A 39 -1.514 -6.823 8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.906 -8.929 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.371 -9.043 7.981 1.00 0.00 H new ATOM 538 N LEU A 40 -3.606 -7.743 5.481 1.00 0.00 N ATOM 539 CA LEU A 40 -4.251 -6.859 4.516 1.00 0.00 C ATOM 540 C LEU A 40 -5.533 -6.266 5.093 1.00 0.00 C ATOM 541 O LEU A 40 -5.951 -5.173 4.711 1.00 0.00 O ATOM 542 CB LEU A 40 -4.564 -7.620 3.227 1.00 0.00 C ATOM 543 CG LEU A 40 -3.433 -7.694 2.200 1.00 0.00 C ATOM 544 CD1 LEU A 40 -3.148 -9.139 1.823 1.00 0.00 C ATOM 545 CD2 LEU A 40 -3.780 -6.877 0.964 1.00 0.00 C ATOM 0 H LEU A 40 -3.427 -8.686 5.135 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.563 -6.044 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.856 -8.637 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.428 -7.153 2.754 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.533 -7.273 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.341 -9.172 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.854 -9.696 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.044 -9.587 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.964 -6.941 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.692 -7.268 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.933 -5.836 1.247 1.00 0.00 H new ATOM 557 N LYS A 41 -6.151 -6.993 6.018 1.00 0.00 N ATOM 558 CA LYS A 41 -7.383 -6.538 6.652 1.00 0.00 C ATOM 559 C LYS A 41 -7.219 -5.129 7.212 1.00 0.00 C ATOM 560 O LYS A 41 -8.152 -4.326 7.182 1.00 0.00 O ATOM 561 CB LYS A 41 -7.789 -7.499 7.772 1.00 0.00 C ATOM 562 CG LYS A 41 -8.847 -8.506 7.355 1.00 0.00 C ATOM 563 CD LYS A 41 -8.227 -9.835 6.958 1.00 0.00 C ATOM 564 CE LYS A 41 -8.352 -10.863 8.073 1.00 0.00 C ATOM 565 NZ LYS A 41 -9.591 -11.679 7.938 1.00 0.00 N ATOM 0 H LYS A 41 -5.819 -7.900 6.345 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.167 -6.520 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.905 -8.035 8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.162 -6.921 8.618 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.547 -8.661 8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.421 -8.107 6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.714 -10.211 6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.175 -9.688 6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.482 -11.519 8.061 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.355 -10.355 9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.640 -12.367 8.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.423 -11.056 7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.577 -12.184 7.029 1.00 0.00 H new ATOM 579 N PHE A 42 -6.027 -4.834 7.721 1.00 0.00 N ATOM 580 CA PHE A 42 -5.741 -3.521 8.287 1.00 0.00 C ATOM 581 C PHE A 42 -5.805 -2.440 7.212 1.00 0.00 C ATOM 582 O PHE A 42 -6.255 -1.323 7.468 1.00 0.00 O ATOM 583 CB PHE A 42 -4.361 -3.517 8.948 1.00 0.00 C ATOM 584 CG PHE A 42 -4.055 -2.246 9.687 1.00 0.00 C ATOM 585 CD1 PHE A 42 -3.587 -1.131 9.011 1.00 0.00 C ATOM 586 CD2 PHE A 42 -4.233 -2.167 11.059 1.00 0.00 C ATOM 587 CE1 PHE A 42 -3.305 0.040 9.688 1.00 0.00 C ATOM 588 CE2 PHE A 42 -3.952 -0.998 11.741 1.00 0.00 C ATOM 589 CZ PHE A 42 -3.486 0.106 11.055 1.00 0.00 C ATOM 0 H PHE A 42 -5.244 -5.487 7.753 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.498 -3.305 9.041 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.296 -4.356 9.641 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.600 -3.676 8.184 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.441 -1.178 7.942 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.595 -3.028 11.601 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.943 0.903 9.148 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.097 -0.948 12.810 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.264 1.019 11.587 1.00 0.00 H new ATOM 599 N GLU A 43 -5.352 -2.781 6.010 1.00 0.00 N ATOM 600 CA GLU A 43 -5.356 -1.839 4.897 1.00 0.00 C ATOM 601 C GLU A 43 -6.770 -1.338 4.614 1.00 0.00 C ATOM 602 O GLU A 43 -6.959 -0.239 4.092 1.00 0.00 O ATOM 603 CB GLU A 43 -4.775 -2.494 3.642 1.00 0.00 C ATOM 604 CG GLU A 43 -4.105 -1.512 2.697 1.00 0.00 C ATOM 605 CD GLU A 43 -4.027 -2.031 1.275 1.00 0.00 C ATOM 606 OE1 GLU A 43 -3.194 -2.925 1.016 1.00 0.00 O ATOM 607 OE2 GLU A 43 -4.797 -1.544 0.421 1.00 0.00 O ATOM 0 H GLU A 43 -4.978 -3.702 5.782 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.735 -0.987 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.049 -3.251 3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.573 -3.011 3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.655 -0.571 2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.099 -1.296 3.057 1.00 0.00 H new ATOM 614 N THR A 44 -7.761 -2.152 4.963 1.00 0.00 N ATOM 615 CA THR A 44 -9.157 -1.794 4.746 1.00 0.00 C ATOM 616 C THR A 44 -9.630 -0.777 5.778 1.00 0.00 C ATOM 617 O THR A 44 -10.531 0.019 5.511 1.00 0.00 O ATOM 618 CB THR A 44 -10.071 -3.033 4.806 1.00 0.00 C ATOM 619 OG1 THR A 44 -9.498 -4.101 4.044 1.00 0.00 O ATOM 620 CG2 THR A 44 -11.457 -2.708 4.271 1.00 0.00 C ATOM 0 H THR A 44 -7.622 -3.064 5.397 1.00 0.00 H new ATOM 0 HA THR A 44 -9.220 -1.354 3.751 1.00 0.00 H new ATOM 0 HB THR A 44 -10.164 -3.340 5.848 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.084 -4.885 4.088 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.085 -3.597 4.323 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.902 -1.914 4.871 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.379 -2.379 3.235 1.00 0.00 H new ATOM 628 N SER A 45 -9.018 -0.808 6.957 1.00 0.00 N ATOM 629 CA SER A 45 -9.379 0.111 8.030 1.00 0.00 C ATOM 630 C SER A 45 -8.852 1.514 7.746 1.00 0.00 C ATOM 631 O SER A 45 -9.611 2.483 7.725 1.00 0.00 O ATOM 632 CB SER A 45 -8.829 -0.392 9.366 1.00 0.00 C ATOM 633 OG SER A 45 -9.837 -1.044 10.120 1.00 0.00 O ATOM 0 H SER A 45 -8.270 -1.460 7.194 1.00 0.00 H new ATOM 0 HA SER A 45 -10.467 0.156 8.086 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.003 -1.080 9.187 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.428 0.446 9.937 1.00 0.00 H new ATOM 0 HG SER A 45 -9.460 -1.358 10.968 1.00 0.00 H new ATOM 639 N VAL A 46 -7.545 1.615 7.526 1.00 0.00 N ATOM 640 CA VAL A 46 -6.914 2.898 7.242 1.00 0.00 C ATOM 641 C VAL A 46 -7.605 3.605 6.081 1.00 0.00 C ATOM 642 O VAL A 46 -7.672 4.833 6.039 1.00 0.00 O ATOM 643 CB VAL A 46 -5.420 2.728 6.908 1.00 0.00 C ATOM 644 CG1 VAL A 46 -5.246 1.910 5.638 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.747 4.085 6.775 1.00 0.00 C ATOM 0 H VAL A 46 -6.902 0.823 7.539 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.011 3.504 8.143 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.942 2.189 7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.184 1.801 5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.691 0.925 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.738 2.417 4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.692 3.946 6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.226 4.652 5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.840 4.631 7.714 1.00 0.00 H new ATOM 655 N ARG A 47 -8.120 2.820 5.140 1.00 0.00 N ATOM 656 CA ARG A 47 -8.806 3.370 3.977 1.00 0.00 C ATOM 657 C ARG A 47 -10.196 3.873 4.354 1.00 0.00 C ATOM 658 O ARG A 47 -10.705 4.824 3.761 1.00 0.00 O ATOM 659 CB ARG A 47 -8.915 2.314 2.875 1.00 0.00 C ATOM 660 CG ARG A 47 -8.230 2.714 1.579 1.00 0.00 C ATOM 661 CD ARG A 47 -7.912 1.500 0.720 1.00 0.00 C ATOM 662 NE ARG A 47 -9.119 0.787 0.311 1.00 0.00 N ATOM 663 CZ ARG A 47 -9.930 1.208 -0.653 1.00 0.00 C ATOM 664 NH1 ARG A 47 -9.664 2.331 -1.305 1.00 0.00 N ATOM 665 NH2 ARG A 47 -11.010 0.504 -0.968 1.00 0.00 N ATOM 0 H ARG A 47 -8.075 1.801 5.160 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.222 4.212 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.480 1.381 3.233 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.968 2.118 2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.872 3.397 1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.310 3.253 1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.361 1.817 -0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.262 0.824 1.275 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.352 -0.082 0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.834 2.875 -1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.289 2.651 -2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.218 -0.361 -0.470 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.632 0.828 -1.708 1.00 0.00 H new ATOM 679 N ALA A 48 -10.805 3.227 5.343 1.00 0.00 N ATOM 680 CA ALA A 48 -12.136 3.610 5.800 1.00 0.00 C ATOM 681 C ALA A 48 -12.113 4.978 6.474 1.00 0.00 C ATOM 682 O ALA A 48 -13.115 5.693 6.486 1.00 0.00 O ATOM 683 CB ALA A 48 -12.689 2.560 6.752 1.00 0.00 C ATOM 0 H ALA A 48 -10.398 2.436 5.843 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.788 3.674 4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.683 2.859 7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.751 1.600 6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.029 2.468 7.615 1.00 0.00 H new ATOM 689 N LYS A 49 -10.963 5.336 7.035 1.00 0.00 N ATOM 690 CA LYS A 49 -10.808 6.619 7.711 1.00 0.00 C ATOM 691 C LYS A 49 -10.806 7.767 6.706 1.00 0.00 C ATOM 692 O LYS A 49 -11.286 8.861 6.999 1.00 0.00 O ATOM 693 CB LYS A 49 -9.512 6.637 8.524 1.00 0.00 C ATOM 694 CG LYS A 49 -9.339 5.423 9.420 1.00 0.00 C ATOM 695 CD LYS A 49 -8.275 5.658 10.478 1.00 0.00 C ATOM 696 CE LYS A 49 -8.848 5.537 11.882 1.00 0.00 C ATOM 697 NZ LYS A 49 -8.077 6.344 12.868 1.00 0.00 N ATOM 0 H LYS A 49 -10.124 4.756 7.035 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.654 6.751 8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.665 6.697 7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.491 7.537 9.138 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.288 5.188 9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.067 4.559 8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.468 4.937 10.350 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.841 6.649 10.345 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.888 5.864 11.879 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.844 4.491 12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.499 6.235 13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.090 6.016 12.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.102 7.346 12.592 1.00 0.00 H new ATOM 711 N ASN A 50 -10.265 7.508 5.520 1.00 0.00 N ATOM 712 CA ASN A 50 -10.202 8.520 4.472 1.00 0.00 C ATOM 713 C ASN A 50 -9.544 9.796 4.987 1.00 0.00 C ATOM 714 O ASN A 50 -9.872 10.898 4.545 1.00 0.00 O ATOM 715 CB ASN A 50 -11.606 8.832 3.950 1.00 0.00 C ATOM 716 CG ASN A 50 -12.323 7.594 3.445 1.00 0.00 C ATOM 717 OD1 ASN A 50 -13.091 6.967 4.174 1.00 0.00 O ATOM 718 ND2 ASN A 50 -12.073 7.237 2.190 1.00 0.00 N ATOM 0 H ASN A 50 -9.864 6.607 5.261 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.598 8.124 3.656 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.193 9.290 4.746 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.537 9.563 3.144 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.525 6.413 1.794 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.429 7.787 1.622 1.00 0.00 H new ATOM 725 N ASP A 51 -8.614 9.640 5.922 1.00 0.00 N ATOM 726 CA ASP A 51 -7.907 10.779 6.496 1.00 0.00 C ATOM 727 C ASP A 51 -6.954 11.397 5.478 1.00 0.00 C ATOM 728 O ASP A 51 -6.320 10.687 4.698 1.00 0.00 O ATOM 729 CB ASP A 51 -7.134 10.351 7.744 1.00 0.00 C ATOM 730 CG ASP A 51 -7.544 11.133 8.976 1.00 0.00 C ATOM 731 OD1 ASP A 51 -7.918 12.316 8.832 1.00 0.00 O ATOM 732 OD2 ASP A 51 -7.491 10.562 10.085 1.00 0.00 O ATOM 0 H ASP A 51 -8.332 8.735 6.299 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.646 11.530 6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.296 9.288 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.066 10.486 7.570 1.00 0.00 H new ATOM 737 N GLN A 52 -6.858 12.723 5.492 1.00 0.00 N ATOM 738 CA GLN A 52 -5.983 13.435 4.569 1.00 0.00 C ATOM 739 C GLN A 52 -4.547 12.936 4.686 1.00 0.00 C ATOM 740 O GLN A 52 -3.781 12.986 3.723 1.00 0.00 O ATOM 741 CB GLN A 52 -6.037 14.939 4.840 1.00 0.00 C ATOM 742 CG GLN A 52 -7.248 15.625 4.230 1.00 0.00 C ATOM 743 CD GLN A 52 -7.397 17.063 4.687 1.00 0.00 C ATOM 744 OE1 GLN A 52 -6.409 17.772 4.875 1.00 0.00 O ATOM 745 NE2 GLN A 52 -8.638 17.501 4.868 1.00 0.00 N ATOM 0 H GLN A 52 -7.375 13.325 6.132 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.333 13.243 3.555 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.040 15.106 5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.132 15.403 4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.166 15.600 3.143 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.147 15.069 4.495 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.428 16.878 4.700 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.801 18.460 5.175 1.00 0.00 H new ATOM 754 N ARG A 53 -4.187 12.455 5.872 1.00 0.00 N ATOM 755 CA ARG A 53 -2.842 11.949 6.115 1.00 0.00 C ATOM 756 C ARG A 53 -2.650 10.581 5.465 1.00 0.00 C ATOM 757 O ARG A 53 -1.532 10.196 5.124 1.00 0.00 O ATOM 758 CB ARG A 53 -2.574 11.853 7.618 1.00 0.00 C ATOM 759 CG ARG A 53 -2.621 13.195 8.331 1.00 0.00 C ATOM 760 CD ARG A 53 -3.156 13.054 9.748 1.00 0.00 C ATOM 761 NE ARG A 53 -3.556 14.340 10.312 1.00 0.00 N ATOM 762 CZ ARG A 53 -4.294 14.463 11.409 1.00 0.00 C ATOM 763 NH1 ARG A 53 -4.710 13.383 12.057 1.00 0.00 N ATOM 764 NH2 ARG A 53 -4.617 15.668 11.861 1.00 0.00 N ATOM 0 H ARG A 53 -4.809 12.405 6.679 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.133 12.647 5.670 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.309 11.186 8.068 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.595 11.401 7.776 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.621 13.628 8.360 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.251 13.885 7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.010 12.377 9.747 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.392 12.602 10.381 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.252 15.190 9.837 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.463 12.455 11.713 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.277 13.480 12.899 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.298 16.501 11.366 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.184 15.761 12.704 1.00 0.00 H new ATOM 778 N PHE A 54 -3.749 9.852 5.299 1.00 0.00 N ATOM 779 CA PHE A 54 -3.702 8.527 4.692 1.00 0.00 C ATOM 780 C PHE A 54 -4.325 8.544 3.299 1.00 0.00 C ATOM 781 O PHE A 54 -5.075 7.639 2.933 1.00 0.00 O ATOM 782 CB PHE A 54 -4.429 7.512 5.576 1.00 0.00 C ATOM 783 CG PHE A 54 -3.774 7.303 6.912 1.00 0.00 C ATOM 784 CD1 PHE A 54 -2.528 6.704 7.002 1.00 0.00 C ATOM 785 CD2 PHE A 54 -4.406 7.704 8.078 1.00 0.00 C ATOM 786 CE1 PHE A 54 -1.923 6.511 8.229 1.00 0.00 C ATOM 787 CE2 PHE A 54 -3.805 7.514 9.308 1.00 0.00 C ATOM 788 CZ PHE A 54 -2.563 6.915 9.384 1.00 0.00 C ATOM 0 H PHE A 54 -4.682 10.156 5.576 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.656 8.234 4.599 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.455 7.846 5.731 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.481 6.557 5.052 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.024 6.384 6.102 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.379 8.170 8.025 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.950 6.045 8.285 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.307 7.834 10.209 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.093 6.763 10.345 1.00 0.00 H new ATOM 798 N GLU A 55 -4.009 9.580 2.529 1.00 0.00 N ATOM 799 CA GLU A 55 -4.540 9.715 1.177 1.00 0.00 C ATOM 800 C GLU A 55 -3.683 8.945 0.177 1.00 0.00 C ATOM 801 O GLU A 55 -4.180 8.463 -0.842 1.00 0.00 O ATOM 802 CB GLU A 55 -4.607 11.191 0.778 1.00 0.00 C ATOM 803 CG GLU A 55 -3.268 11.905 0.856 1.00 0.00 C ATOM 804 CD GLU A 55 -3.350 13.349 0.401 1.00 0.00 C ATOM 805 OE1 GLU A 55 -3.956 13.604 -0.660 1.00 0.00 O ATOM 806 OE2 GLU A 55 -2.807 14.224 1.108 1.00 0.00 O ATOM 0 H GLU A 55 -3.389 10.337 2.817 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.546 9.296 1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.990 11.266 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.320 11.702 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.902 11.871 1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.541 11.375 0.241 1.00 0.00 H new ATOM 813 N PHE A 56 -2.393 8.833 0.474 1.00 0.00 N ATOM 814 CA PHE A 56 -1.465 8.123 -0.399 1.00 0.00 C ATOM 815 C PHE A 56 -1.938 6.694 -0.647 1.00 0.00 C ATOM 816 O PHE A 56 -1.618 6.091 -1.672 1.00 0.00 O ATOM 817 CB PHE A 56 -0.063 8.110 0.214 1.00 0.00 C ATOM 818 CG PHE A 56 0.003 7.415 1.544 1.00 0.00 C ATOM 819 CD1 PHE A 56 -0.255 8.108 2.716 1.00 0.00 C ATOM 820 CD2 PHE A 56 0.323 6.069 1.622 1.00 0.00 C ATOM 821 CE1 PHE A 56 -0.195 7.472 3.941 1.00 0.00 C ATOM 822 CE2 PHE A 56 0.384 5.428 2.845 1.00 0.00 C ATOM 823 CZ PHE A 56 0.126 6.130 4.006 1.00 0.00 C ATOM 0 H PHE A 56 -1.966 9.225 1.313 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.431 8.647 -1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.623 7.620 -0.477 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.283 9.137 0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.506 9.157 2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.527 5.515 0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.399 8.023 4.847 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.633 4.378 2.893 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.175 5.631 4.963 1.00 0.00 H new ATOM 833 N LEU A 57 -2.701 6.157 0.299 1.00 0.00 N ATOM 834 CA LEU A 57 -3.218 4.798 0.185 1.00 0.00 C ATOM 835 C LEU A 57 -4.285 4.711 -0.902 1.00 0.00 C ATOM 836 O LEU A 57 -4.504 3.650 -1.486 1.00 0.00 O ATOM 837 CB LEU A 57 -3.799 4.338 1.523 1.00 0.00 C ATOM 838 CG LEU A 57 -2.812 3.695 2.498 1.00 0.00 C ATOM 839 CD1 LEU A 57 -3.245 3.940 3.935 1.00 0.00 C ATOM 840 CD2 LEU A 57 -2.686 2.204 2.224 1.00 0.00 C ATOM 0 H LEU A 57 -2.975 6.642 1.153 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.391 4.143 -0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.255 5.198 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.598 3.624 1.323 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.835 4.155 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.531 3.475 4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.282 5.012 4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.233 3.508 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.980 1.763 2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.660 1.729 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.328 2.050 1.206 1.00 0.00 H new ATOM 852 N GLN A 58 -4.944 5.834 -1.169 1.00 0.00 N ATOM 853 CA GLN A 58 -5.986 5.884 -2.187 1.00 0.00 C ATOM 854 C GLN A 58 -5.466 5.367 -3.525 1.00 0.00 C ATOM 855 O GLN A 58 -4.270 5.409 -3.811 1.00 0.00 O ATOM 856 CB GLN A 58 -6.505 7.314 -2.346 1.00 0.00 C ATOM 857 CG GLN A 58 -7.260 7.826 -1.131 1.00 0.00 C ATOM 858 CD GLN A 58 -8.682 7.304 -1.064 1.00 0.00 C ATOM 859 OE1 GLN A 58 -9.349 7.155 -2.088 1.00 0.00 O ATOM 860 NE2 GLN A 58 -9.153 7.023 0.145 1.00 0.00 N ATOM 0 H GLN A 58 -4.775 6.721 -0.695 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.805 5.242 -1.864 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.663 7.977 -2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.160 7.359 -3.216 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.727 7.533 -0.227 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.278 8.916 -1.152 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.565 7.162 0.967 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -10.103 6.668 0.252 1.00 0.00 H new ATOM 869 N PRO A 59 -6.385 4.867 -4.364 1.00 0.00 N ATOM 870 CA PRO A 59 -6.043 4.332 -5.685 1.00 0.00 C ATOM 871 C PRO A 59 -5.607 5.424 -6.657 1.00 0.00 C ATOM 872 O PRO A 59 -4.585 5.295 -7.332 1.00 0.00 O ATOM 873 CB PRO A 59 -7.349 3.688 -6.157 1.00 0.00 C ATOM 874 CG PRO A 59 -8.419 4.420 -5.422 1.00 0.00 C ATOM 875 CD PRO A 59 -7.829 4.786 -4.088 1.00 0.00 C ATOM 0 HA PRO A 59 -5.203 3.639 -5.639 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.472 3.786 -7.236 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.370 2.622 -5.929 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.729 5.310 -5.969 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.305 3.797 -5.299 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.222 5.734 -3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -8.052 4.035 -3.330 1.00 0.00 H new ATOM 883 N TRP A 60 -6.386 6.497 -6.722 1.00 0.00 N ATOM 884 CA TRP A 60 -6.079 7.611 -7.612 1.00 0.00 C ATOM 885 C TRP A 60 -4.705 8.194 -7.300 1.00 0.00 C ATOM 886 O TRP A 60 -4.009 8.682 -8.191 1.00 0.00 O ATOM 887 CB TRP A 60 -7.147 8.698 -7.489 1.00 0.00 C ATOM 888 CG TRP A 60 -7.271 9.256 -6.103 1.00 0.00 C ATOM 889 CD1 TRP A 60 -8.128 8.840 -5.125 1.00 0.00 C ATOM 890 CD2 TRP A 60 -6.513 10.334 -5.543 1.00 0.00 C ATOM 891 NE1 TRP A 60 -7.949 9.594 -3.991 1.00 0.00 N ATOM 892 CE2 TRP A 60 -6.963 10.517 -4.221 1.00 0.00 C ATOM 893 CE3 TRP A 60 -5.496 11.161 -6.028 1.00 0.00 C ATOM 894 CZ2 TRP A 60 -6.432 11.493 -3.382 1.00 0.00 C ATOM 895 CZ3 TRP A 60 -4.971 12.130 -5.194 1.00 0.00 C ATOM 896 CH2 TRP A 60 -5.438 12.289 -3.883 1.00 0.00 C ATOM 0 H TRP A 60 -7.235 6.620 -6.170 1.00 0.00 H new ATOM 0 HA TRP A 60 -6.070 7.234 -8.635 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.912 9.508 -8.179 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.109 8.288 -7.795 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -8.842 8.036 -5.228 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -8.466 9.484 -3.119 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -5.127 11.045 -7.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.792 11.617 -2.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -4.187 12.776 -5.560 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.005 13.054 -3.256 1.00 0.00 H new ATOM 907 N HIS A 61 -4.319 8.141 -6.029 1.00 0.00 N ATOM 908 CA HIS A 61 -3.026 8.663 -5.600 1.00 0.00 C ATOM 909 C HIS A 61 -1.884 7.909 -6.274 1.00 0.00 C ATOM 910 O HIS A 61 -1.977 6.704 -6.507 1.00 0.00 O ATOM 911 CB HIS A 61 -2.891 8.564 -4.080 1.00 0.00 C ATOM 912 CG HIS A 61 -2.416 9.831 -3.437 1.00 0.00 C ATOM 913 ND1 HIS A 61 -1.198 10.409 -3.723 1.00 0.00 N ATOM 914 CD2 HIS A 61 -3.005 10.632 -2.518 1.00 0.00 C ATOM 915 CE1 HIS A 61 -1.057 11.510 -3.007 1.00 0.00 C ATOM 916 NE2 HIS A 61 -2.140 11.668 -2.268 1.00 0.00 N ATOM 0 H HIS A 61 -4.883 7.742 -5.278 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.970 9.711 -5.895 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.857 8.290 -3.655 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.196 7.760 -3.837 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -0.513 10.044 -4.384 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.975 10.483 -2.066 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.201 12.169 -3.023 1.00 0.00 H new ATOM 924 N GLN A 62 -0.809 8.626 -6.584 1.00 0.00 N ATOM 925 CA GLN A 62 0.349 8.024 -7.233 1.00 0.00 C ATOM 926 C GLN A 62 1.255 7.346 -6.210 1.00 0.00 C ATOM 927 O GLN A 62 1.830 6.291 -6.478 1.00 0.00 O ATOM 928 CB GLN A 62 1.136 9.084 -8.006 1.00 0.00 C ATOM 929 CG GLN A 62 1.614 10.238 -7.140 1.00 0.00 C ATOM 930 CD GLN A 62 2.408 11.266 -7.923 1.00 0.00 C ATOM 931 OE1 GLN A 62 2.034 11.640 -9.035 1.00 0.00 O ATOM 932 NE2 GLN A 62 3.510 11.729 -7.345 1.00 0.00 N ATOM 0 H GLN A 62 -0.716 9.624 -6.396 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.010 7.268 -7.931 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.999 8.613 -8.477 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.510 9.477 -8.807 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.753 10.723 -6.680 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.231 9.848 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.782 11.391 -6.422 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.084 12.423 -7.824 1.00 0.00 H new ATOM 941 N TYR A 63 1.378 7.960 -5.038 1.00 0.00 N ATOM 942 CA TYR A 63 2.216 7.418 -3.976 1.00 0.00 C ATOM 943 C TYR A 63 1.808 5.987 -3.636 1.00 0.00 C ATOM 944 O TYR A 63 2.619 5.196 -3.157 1.00 0.00 O ATOM 945 CB TYR A 63 2.125 8.296 -2.727 1.00 0.00 C ATOM 946 CG TYR A 63 2.768 9.655 -2.894 1.00 0.00 C ATOM 947 CD1 TYR A 63 4.001 9.789 -3.519 1.00 0.00 C ATOM 948 CD2 TYR A 63 2.142 10.803 -2.426 1.00 0.00 C ATOM 949 CE1 TYR A 63 4.593 11.028 -3.674 1.00 0.00 C ATOM 950 CE2 TYR A 63 2.725 12.046 -2.577 1.00 0.00 C ATOM 951 CZ TYR A 63 3.951 12.153 -3.201 1.00 0.00 C ATOM 952 OH TYR A 63 4.536 13.390 -3.353 1.00 0.00 O ATOM 0 H TYR A 63 0.908 8.833 -4.800 1.00 0.00 H new ATOM 0 HA TYR A 63 3.247 7.408 -4.331 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.076 8.430 -2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.600 7.778 -1.894 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.506 8.910 -3.890 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.183 10.722 -1.936 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.552 11.115 -4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.224 12.929 -2.209 1.00 0.00 H new ATOM 0 HH TYR A 63 3.954 14.077 -2.966 1.00 0.00 H new ATOM 962 N ASN A 64 0.544 5.664 -3.888 1.00 0.00 N ATOM 963 CA ASN A 64 0.026 4.329 -3.610 1.00 0.00 C ATOM 964 C ASN A 64 0.909 3.260 -4.245 1.00 0.00 C ATOM 965 O ASN A 64 1.049 2.159 -3.712 1.00 0.00 O ATOM 966 CB ASN A 64 -1.407 4.197 -4.129 1.00 0.00 C ATOM 967 CG ASN A 64 -1.941 2.783 -4.001 1.00 0.00 C ATOM 968 OD1 ASN A 64 -2.018 2.046 -4.983 1.00 0.00 O ATOM 969 ND2 ASN A 64 -2.312 2.400 -2.785 1.00 0.00 N ATOM 0 H ASN A 64 -0.141 6.308 -4.284 1.00 0.00 H new ATOM 0 HA ASN A 64 0.029 4.183 -2.530 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.055 4.878 -3.577 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.441 4.502 -5.175 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.679 1.460 -2.636 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.230 3.046 -2.000 1.00 0.00 H new ATOM 976 N ALA A 65 1.504 3.592 -5.386 1.00 0.00 N ATOM 977 CA ALA A 65 2.376 2.662 -6.092 1.00 0.00 C ATOM 978 C ALA A 65 3.592 2.300 -5.247 1.00 0.00 C ATOM 979 O ALA A 65 4.021 1.146 -5.221 1.00 0.00 O ATOM 980 CB ALA A 65 2.813 3.255 -7.423 1.00 0.00 C ATOM 0 H ALA A 65 1.398 4.499 -5.841 1.00 0.00 H new ATOM 0 HA ALA A 65 1.813 1.748 -6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.464 2.550 -7.939 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.935 3.456 -8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.353 4.185 -7.247 1.00 0.00 H new ATOM 986 N TYR A 66 4.144 3.292 -4.558 1.00 0.00 N ATOM 987 CA TYR A 66 5.313 3.079 -3.714 1.00 0.00 C ATOM 988 C TYR A 66 4.962 2.219 -2.504 1.00 0.00 C ATOM 989 O TYR A 66 5.766 1.401 -2.055 1.00 0.00 O ATOM 990 CB TYR A 66 5.886 4.420 -3.252 1.00 0.00 C ATOM 991 CG TYR A 66 7.090 4.284 -2.347 1.00 0.00 C ATOM 992 CD1 TYR A 66 8.354 4.043 -2.871 1.00 0.00 C ATOM 993 CD2 TYR A 66 6.963 4.396 -0.968 1.00 0.00 C ATOM 994 CE1 TYR A 66 9.457 3.918 -2.048 1.00 0.00 C ATOM 995 CE2 TYR A 66 8.061 4.274 -0.138 1.00 0.00 C ATOM 996 CZ TYR A 66 9.305 4.034 -0.682 1.00 0.00 C ATOM 997 OH TYR A 66 10.400 3.910 0.141 1.00 0.00 O ATOM 0 H TYR A 66 3.800 4.252 -4.567 1.00 0.00 H new ATOM 0 HA TYR A 66 6.065 2.554 -4.304 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.164 5.008 -4.127 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.109 4.977 -2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.477 3.952 -3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.990 4.581 -0.538 1.00 0.00 H new ATOM 0 HE1 TYR A 66 10.432 3.731 -2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.945 4.366 0.932 1.00 0.00 H new ATOM 0 HH TYR A 66 10.122 4.019 1.074 1.00 0.00 H new ATOM 1007 N TYR A 67 3.756 2.410 -1.981 1.00 0.00 N ATOM 1008 CA TYR A 67 3.297 1.654 -0.822 1.00 0.00 C ATOM 1009 C TYR A 67 3.302 0.156 -1.111 1.00 0.00 C ATOM 1010 O TYR A 67 3.694 -0.649 -0.266 1.00 0.00 O ATOM 1011 CB TYR A 67 1.891 2.102 -0.418 1.00 0.00 C ATOM 1012 CG TYR A 67 1.260 1.232 0.645 1.00 0.00 C ATOM 1013 CD1 TYR A 67 1.903 1.004 1.856 1.00 0.00 C ATOM 1014 CD2 TYR A 67 0.022 0.636 0.438 1.00 0.00 C ATOM 1015 CE1 TYR A 67 1.330 0.209 2.830 1.00 0.00 C ATOM 1016 CE2 TYR A 67 -0.558 -0.160 1.407 1.00 0.00 C ATOM 1017 CZ TYR A 67 0.099 -0.370 2.601 1.00 0.00 C ATOM 1018 OH TYR A 67 -0.475 -1.163 3.568 1.00 0.00 O ATOM 0 H TYR A 67 3.079 3.082 -2.341 1.00 0.00 H new ATOM 0 HA TYR A 67 3.984 1.849 0.002 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.936 3.129 -0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.252 2.104 -1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.867 1.456 2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.496 0.798 -0.496 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.843 0.042 3.766 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.521 -0.615 1.230 1.00 0.00 H new ATOM 0 HH TYR A 67 0.222 -1.512 4.162 1.00 0.00 H new ATOM 1028 N GLU A 68 2.864 -0.210 -2.312 1.00 0.00 N ATOM 1029 CA GLU A 68 2.818 -1.611 -2.713 1.00 0.00 C ATOM 1030 C GLU A 68 4.224 -2.197 -2.807 1.00 0.00 C ATOM 1031 O GLU A 68 4.419 -3.401 -2.640 1.00 0.00 O ATOM 1032 CB GLU A 68 2.103 -1.755 -4.058 1.00 0.00 C ATOM 1033 CG GLU A 68 0.594 -1.885 -3.935 1.00 0.00 C ATOM 1034 CD GLU A 68 0.028 -2.978 -4.820 1.00 0.00 C ATOM 1035 OE1 GLU A 68 0.486 -3.102 -5.975 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -0.873 -3.709 -4.358 1.00 0.00 O ATOM 0 H GLU A 68 2.536 0.444 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 68 2.264 -2.162 -1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.335 -0.889 -4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.494 -2.631 -4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.335 -2.093 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.129 -0.934 -4.196 1.00 0.00 H new ATOM 1043 N PHE A 69 5.200 -1.336 -3.075 1.00 0.00 N ATOM 1044 CA PHE A 69 6.588 -1.768 -3.192 1.00 0.00 C ATOM 1045 C PHE A 69 7.167 -2.117 -1.824 1.00 0.00 C ATOM 1046 O PHE A 69 7.705 -3.207 -1.624 1.00 0.00 O ATOM 1047 CB PHE A 69 7.431 -0.673 -3.850 1.00 0.00 C ATOM 1048 CG PHE A 69 8.844 -1.095 -4.136 1.00 0.00 C ATOM 1049 CD1 PHE A 69 9.155 -1.778 -5.301 1.00 0.00 C ATOM 1050 CD2 PHE A 69 9.861 -0.808 -3.240 1.00 0.00 C ATOM 1051 CE1 PHE A 69 10.454 -2.167 -5.568 1.00 0.00 C ATOM 1052 CE2 PHE A 69 11.162 -1.195 -3.502 1.00 0.00 C ATOM 1053 CZ PHE A 69 11.459 -1.876 -4.666 1.00 0.00 C ATOM 0 H PHE A 69 5.056 -0.336 -3.215 1.00 0.00 H new ATOM 0 HA PHE A 69 6.613 -2.661 -3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.955 -0.370 -4.783 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.446 0.202 -3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.373 -2.009 -6.009 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.635 -0.276 -2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.683 -2.698 -6.480 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.946 -0.965 -2.796 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.475 -2.180 -4.871 1.00 0.00 H new ATOM 1063 N LYS A 70 7.053 -1.185 -0.885 1.00 0.00 N ATOM 1064 CA LYS A 70 7.563 -1.392 0.466 1.00 0.00 C ATOM 1065 C LYS A 70 6.834 -2.543 1.152 1.00 0.00 C ATOM 1066 O LYS A 70 7.427 -3.294 1.926 1.00 0.00 O ATOM 1067 CB LYS A 70 7.411 -0.113 1.292 1.00 0.00 C ATOM 1068 CG LYS A 70 8.582 0.152 2.224 1.00 0.00 C ATOM 1069 CD LYS A 70 9.834 0.531 1.451 1.00 0.00 C ATOM 1070 CE LYS A 70 11.088 0.002 2.130 1.00 0.00 C ATOM 1071 NZ LYS A 70 12.278 0.082 1.237 1.00 0.00 N ATOM 0 H LYS A 70 6.612 -0.278 -1.034 1.00 0.00 H new ATOM 0 HA LYS A 70 8.620 -1.647 0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.296 0.735 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.496 -0.177 1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.324 0.954 2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.779 -0.736 2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.772 0.134 0.438 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.895 1.616 1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.277 0.573 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.929 -1.033 2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.112 -0.288 1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.108 -0.483 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.446 1.073 0.970 1.00 0.00 H new ATOM 1085 N LYS A 71 5.544 -2.677 0.862 1.00 0.00 N ATOM 1086 CA LYS A 71 4.734 -3.737 1.449 1.00 0.00 C ATOM 1087 C LYS A 71 5.283 -5.111 1.075 1.00 0.00 C ATOM 1088 O LYS A 71 5.414 -5.989 1.928 1.00 0.00 O ATOM 1089 CB LYS A 71 3.281 -3.614 0.984 1.00 0.00 C ATOM 1090 CG LYS A 71 2.312 -4.470 1.781 1.00 0.00 C ATOM 1091 CD LYS A 71 1.050 -3.702 2.136 1.00 0.00 C ATOM 1092 CE LYS A 71 0.003 -3.815 1.038 1.00 0.00 C ATOM 1093 NZ LYS A 71 -1.079 -4.772 1.400 1.00 0.00 N ATOM 0 H LYS A 71 5.037 -2.064 0.223 1.00 0.00 H new ATOM 0 HA LYS A 71 4.773 -3.631 2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.973 -2.571 1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.220 -3.894 -0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.049 -5.357 1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.797 -4.816 2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.641 -4.084 3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.295 -2.653 2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.430 -2.833 0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.480 -4.139 0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.056 -5.584 0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.936 -5.105 2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.001 -4.297 1.328 1.00 0.00 H new ATOM 1107 N GLN A 72 5.602 -5.288 -0.203 1.00 0.00 N ATOM 1108 CA GLN A 72 6.137 -6.555 -0.687 1.00 0.00 C ATOM 1109 C GLN A 72 7.429 -6.914 0.040 1.00 0.00 C ATOM 1110 O GLN A 72 7.672 -8.079 0.356 1.00 0.00 O ATOM 1111 CB GLN A 72 6.390 -6.483 -2.194 1.00 0.00 C ATOM 1112 CG GLN A 72 6.569 -7.844 -2.846 1.00 0.00 C ATOM 1113 CD GLN A 72 6.220 -7.835 -4.321 1.00 0.00 C ATOM 1114 OE1 GLN A 72 7.088 -8.003 -5.178 1.00 0.00 O ATOM 1115 NE2 GLN A 72 4.942 -7.639 -4.626 1.00 0.00 N ATOM 0 H GLN A 72 5.499 -4.571 -0.921 1.00 0.00 H new ATOM 0 HA GLN A 72 5.400 -7.332 -0.485 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.555 -5.968 -2.670 1.00 0.00 H new ATOM 0 HB3 GLN A 72 7.281 -5.882 -2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.602 -8.168 -2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 72 5.943 -8.574 -2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.255 -7.504 -3.884 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.647 -7.624 -5.602 1.00 0.00 H new ATOM 1124 N PHE A 73 8.254 -5.906 0.303 1.00 0.00 N ATOM 1125 CA PHE A 73 9.522 -6.116 0.993 1.00 0.00 C ATOM 1126 C PHE A 73 9.296 -6.723 2.374 1.00 0.00 C ATOM 1127 O PHE A 73 9.867 -7.761 2.709 1.00 0.00 O ATOM 1128 CB PHE A 73 10.281 -4.793 1.122 1.00 0.00 C ATOM 1129 CG PHE A 73 11.617 -4.933 1.793 1.00 0.00 C ATOM 1130 CD1 PHE A 73 11.732 -4.822 3.169 1.00 0.00 C ATOM 1131 CD2 PHE A 73 12.760 -5.175 1.047 1.00 0.00 C ATOM 1132 CE1 PHE A 73 12.961 -4.949 3.788 1.00 0.00 C ATOM 1133 CE2 PHE A 73 13.991 -5.304 1.660 1.00 0.00 C ATOM 1134 CZ PHE A 73 14.092 -5.192 3.033 1.00 0.00 C ATOM 0 H PHE A 73 8.068 -4.936 0.049 1.00 0.00 H new ATOM 0 HA PHE A 73 10.117 -6.813 0.403 1.00 0.00 H new ATOM 0 HB2 PHE A 73 10.425 -4.367 0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.672 -4.087 1.686 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.851 -4.634 3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.687 -5.264 -0.027 1.00 0.00 H new ATOM 0 HE1 PHE A 73 13.037 -4.858 4.861 1.00 0.00 H new ATOM 0 HE2 PHE A 73 14.873 -5.492 1.067 1.00 0.00 H new ATOM 0 HZ PHE A 73 15.053 -5.294 3.515 1.00 0.00 H new ATOM 1144 N PHE A 74 8.459 -6.068 3.172 1.00 0.00 N ATOM 1145 CA PHE A 74 8.158 -6.542 4.518 1.00 0.00 C ATOM 1146 C PHE A 74 7.447 -7.891 4.473 1.00 0.00 C ATOM 1147 O PHE A 74 7.548 -8.690 5.405 1.00 0.00 O ATOM 1148 CB PHE A 74 7.292 -5.520 5.259 1.00 0.00 C ATOM 1149 CG PHE A 74 8.059 -4.324 5.745 1.00 0.00 C ATOM 1150 CD1 PHE A 74 9.088 -4.470 6.661 1.00 0.00 C ATOM 1151 CD2 PHE A 74 7.752 -3.054 5.286 1.00 0.00 C ATOM 1152 CE1 PHE A 74 9.797 -3.371 7.111 1.00 0.00 C ATOM 1153 CE2 PHE A 74 8.457 -1.952 5.731 1.00 0.00 C ATOM 1154 CZ PHE A 74 9.480 -2.110 6.645 1.00 0.00 C ATOM 0 H PHE A 74 7.977 -5.208 2.910 1.00 0.00 H new ATOM 0 HA PHE A 74 9.100 -6.666 5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.493 -5.185 4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.817 -6.008 6.110 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.340 -5.454 7.028 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.952 -2.923 4.572 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.597 -3.499 7.825 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.208 -0.967 5.364 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.031 -1.249 6.995 1.00 0.00 H new ATOM 1164 N LEU A 75 6.726 -8.137 3.385 1.00 0.00 N ATOM 1165 CA LEU A 75 5.997 -9.390 3.218 1.00 0.00 C ATOM 1166 C LEU A 75 6.955 -10.547 2.953 1.00 0.00 C ATOM 1167 O LEU A 75 6.801 -11.632 3.512 1.00 0.00 O ATOM 1168 CB LEU A 75 4.995 -9.269 2.068 1.00 0.00 C ATOM 1169 CG LEU A 75 3.571 -8.870 2.458 1.00 0.00 C ATOM 1170 CD1 LEU A 75 2.755 -8.528 1.221 1.00 0.00 C ATOM 1171 CD2 LEU A 75 2.902 -9.985 3.249 1.00 0.00 C ATOM 0 H LEU A 75 6.630 -7.486 2.606 1.00 0.00 H new ATOM 0 HA LEU A 75 5.458 -9.594 4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.375 -8.535 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.953 -10.225 1.547 1.00 0.00 H new ATOM 0 HG LEU A 75 3.623 -7.984 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.745 -8.247 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.223 -7.696 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.711 -9.396 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.890 -9.683 3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.862 -10.889 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.475 -10.182 4.155 1.00 0.00 H new