USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 SER OG : rot -91:sc= 0.217 USER MOD Set 1.2: A 80 CYS SG : rot -84:sc= -0.551 USER MOD Set 1.3: A 82 THR OG1 : rot 141:sc= 1.14 USER MOD Set 2.1: A 65 TYR OH : rot -57:sc= 0.875 USER MOD Set 2.2: A 102 GLN : amide:sc= 0 X(o=0.24,f=0.021) USER MOD Set 2.3: A 147 ASN : amide:sc= -0.633 K(o=0.24,f=-0.37) USER MOD Single : A 19 THR OG1 : rot 61:sc= 0.72 USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= -0.0692 (180deg=-0.504) USER MOD Single : A 22 LYS NZ :NH3+ 165:sc= -0.0135 (180deg=-0.222) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -117:sc= -0.136 (180deg=-1.09) USER MOD Single : A 41 THR OG1 : rot -19:sc= 1.15 USER MOD Single : A 42 GLN : amide:sc= -1.88! C(o=-1.9!,f=-3.9!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.661 K(o=0.66,f=-2.5!) USER MOD Single : A 59 TYR OH : rot 175:sc= 0.197 USER MOD Single : A 61 CYS SG : rot 180:sc= -1.58 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 73 SER OG : rot -121:sc= 1.2 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -2.04 K(o=-2,f=-2.7!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 84:sc= 0.0249 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -2.21! K(o=-2.2!,f=-1.4) USER MOD Single : A 105 MET CE :methyl -176:sc= -2.6! (180deg=-2.71) USER MOD Single : A 106 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.14) USER MOD Single : A 140 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 143 CYS SG : rot 60:sc= -0.313 USER MOD Single : A 145 ASN : amide:sc= -0.796! K(o=-0.8!,f=-0.091) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 19 11.368 -6.166 -3.949 1.00 0.00 N ATOM 235 CA THR A 19 10.149 -5.637 -4.547 1.00 0.00 C ATOM 236 C THR A 19 8.978 -6.592 -4.344 1.00 0.00 C ATOM 237 O THR A 19 8.259 -6.919 -5.289 1.00 0.00 O ATOM 238 CB THR A 19 10.329 -5.378 -6.055 1.00 0.00 C ATOM 239 OG1 THR A 19 10.380 -6.622 -6.763 1.00 0.00 O ATOM 240 CG2 THR A 19 11.601 -4.586 -6.319 1.00 0.00 C ATOM 0 HA THR A 19 9.936 -4.692 -4.046 1.00 0.00 H new ATOM 0 HB THR A 19 9.477 -4.796 -6.406 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.537 -7.106 -6.635 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.707 -4.415 -7.390 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.547 -3.628 -5.802 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.461 -5.147 -5.954 1.00 0.00 H new ATOM 248 N LYS A 20 8.790 -7.036 -3.106 1.00 0.00 N ATOM 249 CA LYS A 20 7.705 -7.952 -2.777 1.00 0.00 C ATOM 250 C LYS A 20 7.500 -8.033 -1.268 1.00 0.00 C ATOM 251 O LYS A 20 8.446 -8.260 -0.514 1.00 0.00 O ATOM 252 CB LYS A 20 7.998 -9.345 -3.338 1.00 0.00 C ATOM 253 CG LYS A 20 6.752 -10.181 -3.574 1.00 0.00 C ATOM 254 CD LYS A 20 6.240 -10.029 -4.997 1.00 0.00 C ATOM 255 CE LYS A 20 7.125 -10.768 -5.989 1.00 0.00 C ATOM 256 NZ LYS A 20 7.141 -12.235 -5.733 1.00 0.00 N ATOM 0 H LYS A 20 9.376 -6.776 -2.313 1.00 0.00 H new ATOM 0 HA LYS A 20 6.790 -7.570 -3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.540 -9.242 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.655 -9.874 -2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.973 -11.230 -3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.974 -9.882 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.221 -10.411 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.201 -8.972 -5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.770 -10.580 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.141 -10.378 -5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.423 -12.736 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.819 -12.448 -4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.191 -12.548 -5.446 1.00 0.00 H new ATOM 270 N PHE A 21 6.258 -7.847 -0.833 1.00 0.00 N ATOM 271 CA PHE A 21 5.929 -7.899 0.587 1.00 0.00 C ATOM 272 C PHE A 21 4.640 -8.684 0.817 1.00 0.00 C ATOM 273 O PHE A 21 3.670 -8.540 0.073 1.00 0.00 O ATOM 274 CB PHE A 21 5.786 -6.484 1.151 1.00 0.00 C ATOM 275 CG PHE A 21 6.933 -5.581 0.802 1.00 0.00 C ATOM 276 CD1 PHE A 21 7.106 -5.129 -0.497 1.00 0.00 C ATOM 277 CD2 PHE A 21 7.839 -5.182 1.771 1.00 0.00 C ATOM 278 CE1 PHE A 21 8.161 -4.298 -0.821 1.00 0.00 C ATOM 279 CE2 PHE A 21 8.896 -4.351 1.453 1.00 0.00 C ATOM 280 CZ PHE A 21 9.057 -3.907 0.155 1.00 0.00 C ATOM 0 H PHE A 21 5.463 -7.659 -1.443 1.00 0.00 H new ATOM 0 HA PHE A 21 6.742 -8.408 1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.861 -6.044 0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.696 -6.541 2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.408 -5.430 -1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.718 -5.525 2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.285 -3.954 -1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.596 -4.049 2.218 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.881 -3.256 -0.096 1.00 0.00 H new ATOM 290 N LYS A 22 4.638 -9.514 1.854 1.00 0.00 N ATOM 291 CA LYS A 22 3.471 -10.322 2.186 1.00 0.00 C ATOM 292 C LYS A 22 2.427 -9.492 2.927 1.00 0.00 C ATOM 293 O LYS A 22 2.597 -9.168 4.102 1.00 0.00 O ATOM 294 CB LYS A 22 3.882 -11.524 3.040 1.00 0.00 C ATOM 295 CG LYS A 22 5.000 -12.351 2.428 1.00 0.00 C ATOM 296 CD LYS A 22 4.454 -13.448 1.531 1.00 0.00 C ATOM 297 CE LYS A 22 5.567 -14.341 1.002 1.00 0.00 C ATOM 298 NZ LYS A 22 6.231 -15.105 2.095 1.00 0.00 N ATOM 0 H LYS A 22 5.433 -9.645 2.480 1.00 0.00 H new ATOM 0 HA LYS A 22 3.032 -10.679 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.198 -11.171 4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.013 -12.163 3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.660 -11.703 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.602 -12.794 3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.736 -14.051 2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.916 -13.002 0.695 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.158 -15.037 0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.307 -13.731 0.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.796 -15.876 1.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.852 -14.469 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.509 -15.504 2.728 1.00 0.00 H new ATOM 312 N VAL A 23 1.346 -9.152 2.232 1.00 0.00 N ATOM 313 CA VAL A 23 0.274 -8.362 2.825 1.00 0.00 C ATOM 314 C VAL A 23 -0.927 -9.236 3.168 1.00 0.00 C ATOM 315 O VAL A 23 -1.042 -10.368 2.696 1.00 0.00 O ATOM 316 CB VAL A 23 -0.180 -7.233 1.880 1.00 0.00 C ATOM 317 CG1 VAL A 23 0.991 -6.329 1.527 1.00 0.00 C ATOM 318 CG2 VAL A 23 -0.814 -7.813 0.624 1.00 0.00 C ATOM 0 H VAL A 23 1.190 -9.411 1.258 1.00 0.00 H new ATOM 0 HA VAL A 23 0.673 -7.922 3.739 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.930 -6.632 2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.651 -5.538 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.396 -5.887 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.766 -6.914 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.129 -7.002 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.087 -8.438 0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.680 -8.415 0.898 1.00 0.00 H new ATOM 328 N THR A 24 -1.823 -8.703 3.994 1.00 0.00 N ATOM 329 CA THR A 24 -3.016 -9.434 4.402 1.00 0.00 C ATOM 330 C THR A 24 -4.263 -8.569 4.269 1.00 0.00 C ATOM 331 O THR A 24 -4.497 -7.672 5.078 1.00 0.00 O ATOM 332 CB THR A 24 -2.901 -9.930 5.856 1.00 0.00 C ATOM 333 OG1 THR A 24 -1.668 -10.634 6.038 1.00 0.00 O ATOM 334 CG2 THR A 24 -4.067 -10.839 6.211 1.00 0.00 C ATOM 0 H THR A 24 -1.744 -7.768 4.393 1.00 0.00 H new ATOM 0 HA THR A 24 -3.102 -10.294 3.738 1.00 0.00 H new ATOM 0 HB THR A 24 -2.923 -9.062 6.515 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.602 -10.944 6.965 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.964 -11.177 7.242 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.003 -10.291 6.100 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.071 -11.702 5.545 1.00 0.00 H new ATOM 342 N ASN A 25 -5.062 -8.844 3.243 1.00 0.00 N ATOM 343 CA ASN A 25 -6.287 -8.089 3.004 1.00 0.00 C ATOM 344 C ASN A 25 -7.174 -8.085 4.246 1.00 0.00 C ATOM 345 O ASN A 25 -7.670 -9.128 4.672 1.00 0.00 O ATOM 346 CB ASN A 25 -7.053 -8.681 1.819 1.00 0.00 C ATOM 347 CG ASN A 25 -8.344 -7.939 1.536 1.00 0.00 C ATOM 348 OD1 ASN A 25 -9.431 -8.515 1.594 1.00 0.00 O ATOM 349 ND2 ASN A 25 -8.231 -6.652 1.227 1.00 0.00 N ATOM 0 H ASN A 25 -4.883 -9.584 2.564 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.011 -7.060 2.772 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.420 -8.655 0.932 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.276 -9.729 2.021 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.065 -6.101 1.026 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.310 -6.215 1.191 1.00 0.00 H new ATOM 356 N VAL A 26 -7.370 -6.903 4.822 1.00 0.00 N ATOM 357 CA VAL A 26 -8.198 -6.761 6.014 1.00 0.00 C ATOM 358 C VAL A 26 -9.327 -5.764 5.783 1.00 0.00 C ATOM 359 O VAL A 26 -9.506 -5.259 4.675 1.00 0.00 O ATOM 360 CB VAL A 26 -7.364 -6.305 7.226 1.00 0.00 C ATOM 361 CG1 VAL A 26 -6.228 -7.281 7.491 1.00 0.00 C ATOM 362 CG2 VAL A 26 -6.829 -4.898 7.005 1.00 0.00 C ATOM 0 H VAL A 26 -6.967 -6.030 4.482 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.622 -7.743 6.224 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.009 -6.290 8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.650 -6.942 8.351 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.638 -8.270 7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.580 -7.332 6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.242 -4.592 7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.198 -4.884 6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.663 -4.209 6.870 1.00 0.00 H new ATOM 372 N ASP A 27 -10.086 -5.483 6.837 1.00 0.00 N ATOM 373 CA ASP A 27 -11.198 -4.544 6.750 1.00 0.00 C ATOM 374 C ASP A 27 -10.965 -3.341 7.659 1.00 0.00 C ATOM 375 O ASP A 27 -9.910 -3.216 8.282 1.00 0.00 O ATOM 376 CB ASP A 27 -12.509 -5.236 7.125 1.00 0.00 C ATOM 377 CG ASP A 27 -12.740 -5.266 8.623 1.00 0.00 C ATOM 378 OD1 ASP A 27 -11.802 -5.634 9.361 1.00 0.00 O ATOM 379 OD2 ASP A 27 -13.859 -4.921 9.058 1.00 0.00 O ATOM 0 H ASP A 27 -9.951 -5.892 7.761 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.264 -4.192 5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.339 -4.721 6.643 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.501 -6.256 6.741 1.00 0.00 H new ATOM 384 N ASP A 28 -11.956 -2.459 7.729 1.00 0.00 N ATOM 385 CA ASP A 28 -11.859 -1.265 8.562 1.00 0.00 C ATOM 386 C ASP A 28 -11.329 -1.613 9.950 1.00 0.00 C ATOM 387 O ASP A 28 -10.441 -0.939 10.471 1.00 0.00 O ATOM 388 CB ASP A 28 -13.225 -0.588 8.679 1.00 0.00 C ATOM 389 CG ASP A 28 -13.226 0.541 9.691 1.00 0.00 C ATOM 390 OD1 ASP A 28 -12.164 1.169 9.881 1.00 0.00 O ATOM 391 OD2 ASP A 28 -14.290 0.796 10.295 1.00 0.00 O ATOM 0 H ASP A 28 -12.835 -2.548 7.220 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.160 -0.576 8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.519 -0.199 7.704 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.971 -1.329 8.965 1.00 0.00 H new ATOM 396 N GLU A 29 -11.881 -2.667 10.542 1.00 0.00 N ATOM 397 CA GLU A 29 -11.464 -3.102 11.870 1.00 0.00 C ATOM 398 C GLU A 29 -10.053 -3.680 11.835 1.00 0.00 C ATOM 399 O GLU A 29 -9.225 -3.378 12.694 1.00 0.00 O ATOM 400 CB GLU A 29 -12.441 -4.144 12.420 1.00 0.00 C ATOM 401 CG GLU A 29 -13.801 -3.572 12.782 1.00 0.00 C ATOM 402 CD GLU A 29 -13.737 -2.614 13.956 1.00 0.00 C ATOM 403 OE1 GLU A 29 -13.413 -1.429 13.737 1.00 0.00 O ATOM 404 OE2 GLU A 29 -14.012 -3.050 15.093 1.00 0.00 O ATOM 0 H GLU A 29 -12.617 -3.235 10.124 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.465 -2.232 12.526 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.573 -4.932 11.679 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.004 -4.608 13.304 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.215 -3.054 11.917 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.483 -4.388 13.021 1.00 0.00 H new ATOM 411 N GLY A 30 -9.786 -4.515 10.835 1.00 0.00 N ATOM 412 CA GLY A 30 -8.474 -5.123 10.707 1.00 0.00 C ATOM 413 C GLY A 30 -8.532 -6.637 10.742 1.00 0.00 C ATOM 414 O GLY A 30 -7.577 -7.292 11.160 1.00 0.00 O ATOM 0 H GLY A 30 -10.454 -4.781 10.112 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.017 -4.801 9.771 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.832 -4.768 11.513 1.00 0.00 H new ATOM 418 N VAL A 31 -9.655 -7.196 10.303 1.00 0.00 N ATOM 419 CA VAL A 31 -9.834 -8.643 10.287 1.00 0.00 C ATOM 420 C VAL A 31 -9.111 -9.272 9.101 1.00 0.00 C ATOM 421 O VAL A 31 -9.379 -8.935 7.949 1.00 0.00 O ATOM 422 CB VAL A 31 -11.325 -9.023 10.226 1.00 0.00 C ATOM 423 CG1 VAL A 31 -11.490 -10.535 10.202 1.00 0.00 C ATOM 424 CG2 VAL A 31 -12.078 -8.415 11.400 1.00 0.00 C ATOM 0 H VAL A 31 -10.455 -6.668 9.953 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.407 -9.026 11.214 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.747 -8.621 9.305 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.550 -10.785 10.159 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.985 -10.942 9.326 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.053 -10.963 11.104 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.130 -8.694 11.341 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.656 -8.786 12.334 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.988 -7.329 11.367 1.00 0.00 H new ATOM 434 N GLU A 32 -8.195 -10.190 9.393 1.00 0.00 N ATOM 435 CA GLU A 32 -7.433 -10.866 8.350 1.00 0.00 C ATOM 436 C GLU A 32 -8.354 -11.675 7.441 1.00 0.00 C ATOM 437 O GLU A 32 -8.793 -12.770 7.798 1.00 0.00 O ATOM 438 CB GLU A 32 -6.378 -11.784 8.972 1.00 0.00 C ATOM 439 CG GLU A 32 -5.425 -11.066 9.912 1.00 0.00 C ATOM 440 CD GLU A 32 -4.772 -12.004 10.909 1.00 0.00 C ATOM 441 OE1 GLU A 32 -5.508 -12.673 11.665 1.00 0.00 O ATOM 442 OE2 GLU A 32 -3.525 -12.069 10.933 1.00 0.00 O ATOM 0 H GLU A 32 -7.963 -10.482 10.342 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.934 -10.105 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.880 -12.583 9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.803 -12.255 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.652 -10.567 9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.968 -10.290 10.451 1.00 0.00 H new ATOM 449 N LEU A 33 -8.645 -11.129 6.266 1.00 0.00 N ATOM 450 CA LEU A 33 -9.515 -11.798 5.305 1.00 0.00 C ATOM 451 C LEU A 33 -8.738 -12.832 4.496 1.00 0.00 C ATOM 452 O LEU A 33 -8.986 -14.032 4.603 1.00 0.00 O ATOM 453 CB LEU A 33 -10.153 -10.773 4.365 1.00 0.00 C ATOM 454 CG LEU A 33 -10.895 -9.617 5.038 1.00 0.00 C ATOM 455 CD1 LEU A 33 -11.321 -8.585 4.006 1.00 0.00 C ATOM 456 CD2 LEU A 33 -12.101 -10.134 5.808 1.00 0.00 C ATOM 0 H LEU A 33 -8.291 -10.224 5.955 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.300 -12.312 5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.371 -10.356 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.851 -11.295 3.711 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.218 -9.137 5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.847 -7.770 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.440 -8.192 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.982 -9.052 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.617 -9.298 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.781 -10.639 5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.770 -10.836 6.574 1.00 0.00 H new ATOM 468 N GLY A 34 -7.796 -12.357 3.686 1.00 0.00 N ATOM 469 CA GLY A 34 -6.996 -13.254 2.873 1.00 0.00 C ATOM 470 C GLY A 34 -5.567 -12.774 2.715 1.00 0.00 C ATOM 471 O GLY A 34 -5.325 -11.590 2.484 1.00 0.00 O ATOM 0 H GLY A 34 -7.573 -11.367 3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.995 -14.246 3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.454 -13.353 1.889 1.00 0.00 H new ATOM 475 N SER A 35 -4.618 -13.696 2.841 1.00 0.00 N ATOM 476 CA SER A 35 -3.204 -13.360 2.717 1.00 0.00 C ATOM 477 C SER A 35 -2.750 -13.455 1.263 1.00 0.00 C ATOM 478 O SER A 35 -3.244 -14.282 0.499 1.00 0.00 O ATOM 479 CB SER A 35 -2.359 -14.289 3.589 1.00 0.00 C ATOM 480 OG SER A 35 -2.524 -15.642 3.202 1.00 0.00 O ATOM 0 H SER A 35 -4.802 -14.681 3.029 1.00 0.00 H new ATOM 0 HA SER A 35 -3.068 -12.333 3.056 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.308 -14.011 3.510 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.643 -14.169 4.635 1.00 0.00 H new ATOM 0 HG SER A 35 -1.972 -16.215 3.774 1.00 0.00 H new ATOM 486 N GLY A 36 -1.803 -12.599 0.889 1.00 0.00 N ATOM 487 CA GLY A 36 -1.296 -12.602 -0.471 1.00 0.00 C ATOM 488 C GLY A 36 0.038 -11.894 -0.594 1.00 0.00 C ATOM 489 O GLY A 36 0.496 -11.247 0.349 1.00 0.00 O ATOM 0 H GLY A 36 -1.378 -11.904 1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.190 -13.631 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.021 -12.120 -1.127 1.00 0.00 H new ATOM 493 N VAL A 37 0.666 -12.016 -1.759 1.00 0.00 N ATOM 494 CA VAL A 37 1.957 -11.383 -2.002 1.00 0.00 C ATOM 495 C VAL A 37 1.797 -10.105 -2.818 1.00 0.00 C ATOM 496 O VAL A 37 1.288 -10.132 -3.938 1.00 0.00 O ATOM 497 CB VAL A 37 2.918 -12.333 -2.740 1.00 0.00 C ATOM 498 CG1 VAL A 37 4.246 -11.643 -3.014 1.00 0.00 C ATOM 499 CG2 VAL A 37 3.126 -13.609 -1.937 1.00 0.00 C ATOM 0 H VAL A 37 0.302 -12.548 -2.550 1.00 0.00 H new ATOM 0 HA VAL A 37 2.378 -11.138 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 37 2.472 -12.602 -3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.912 -12.330 -3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.077 -10.761 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.702 -11.343 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.808 -14.269 -2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.551 -13.361 -0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.169 -14.111 -1.798 1.00 0.00 H new ATOM 509 N MET A 38 2.237 -8.987 -2.249 1.00 0.00 N ATOM 510 CA MET A 38 2.144 -7.698 -2.925 1.00 0.00 C ATOM 511 C MET A 38 3.410 -7.412 -3.725 1.00 0.00 C ATOM 512 O MET A 38 4.477 -7.187 -3.155 1.00 0.00 O ATOM 513 CB MET A 38 1.905 -6.581 -1.908 1.00 0.00 C ATOM 514 CG MET A 38 1.524 -5.253 -2.542 1.00 0.00 C ATOM 515 SD MET A 38 0.745 -4.123 -1.373 1.00 0.00 S ATOM 516 CE MET A 38 -0.986 -4.499 -1.642 1.00 0.00 C ATOM 0 H MET A 38 2.661 -8.948 -1.322 1.00 0.00 H new ATOM 0 HA MET A 38 1.301 -7.737 -3.615 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.114 -6.887 -1.223 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.807 -6.444 -1.312 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.416 -4.783 -2.956 1.00 0.00 H new ATOM 0 HG3 MET A 38 0.844 -5.434 -3.374 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.495 -3.614 -2.024 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.074 -5.310 -2.365 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.443 -4.802 -0.700 1.00 0.00 H new ATOM 526 N GLU A 39 3.284 -7.422 -5.049 1.00 0.00 N ATOM 527 CA GLU A 39 4.420 -7.165 -5.926 1.00 0.00 C ATOM 528 C GLU A 39 4.312 -5.783 -6.564 1.00 0.00 C ATOM 529 O GLU A 39 3.231 -5.358 -6.974 1.00 0.00 O ATOM 530 CB GLU A 39 4.506 -8.236 -7.014 1.00 0.00 C ATOM 531 CG GLU A 39 5.711 -8.081 -7.928 1.00 0.00 C ATOM 532 CD GLU A 39 5.683 -9.044 -9.099 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.629 -9.139 -9.762 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.713 -9.701 -9.352 1.00 0.00 O ATOM 0 H GLU A 39 2.407 -7.605 -5.537 1.00 0.00 H new ATOM 0 HA GLU A 39 5.327 -7.198 -5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.542 -9.218 -6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.598 -8.204 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.748 -7.059 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.622 -8.242 -7.352 1.00 0.00 H new ATOM 541 N LEU A 40 5.440 -5.085 -6.644 1.00 0.00 N ATOM 542 CA LEU A 40 5.474 -3.750 -7.232 1.00 0.00 C ATOM 543 C LEU A 40 6.460 -3.691 -8.394 1.00 0.00 C ATOM 544 O LEU A 40 7.672 -3.611 -8.190 1.00 0.00 O ATOM 545 CB LEU A 40 5.854 -2.714 -6.172 1.00 0.00 C ATOM 546 CG LEU A 40 4.699 -2.138 -5.352 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.279 -3.113 -4.263 1.00 0.00 C ATOM 548 CD2 LEU A 40 5.090 -0.797 -4.748 1.00 0.00 C ATOM 0 H LEU A 40 6.343 -5.421 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 40 4.479 -3.523 -7.613 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.568 -3.170 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.369 -1.890 -6.666 1.00 0.00 H new ATOM 0 HG LEU A 40 3.850 -1.980 -6.017 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.456 -2.686 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.957 -4.050 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.123 -3.303 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.256 -0.402 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.954 -0.929 -4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.340 -0.098 -5.546 1.00 0.00 H new ATOM 560 N THR A 41 5.933 -3.730 -9.613 1.00 0.00 N ATOM 561 CA THR A 41 6.766 -3.681 -10.808 1.00 0.00 C ATOM 562 C THR A 41 6.789 -2.278 -11.404 1.00 0.00 C ATOM 563 O THR A 41 5.815 -1.533 -11.298 1.00 0.00 O ATOM 564 CB THR A 41 6.274 -4.673 -11.878 1.00 0.00 C ATOM 565 OG1 THR A 41 4.984 -4.277 -12.358 1.00 0.00 O ATOM 566 CG2 THR A 41 6.199 -6.084 -11.314 1.00 0.00 C ATOM 0 H THR A 41 4.932 -3.795 -9.799 1.00 0.00 H new ATOM 0 HA THR A 41 7.774 -3.960 -10.502 1.00 0.00 H new ATOM 0 HB THR A 41 6.986 -4.665 -12.703 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.570 -3.664 -11.715 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.849 -6.767 -12.088 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.188 -6.394 -10.977 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.506 -6.103 -10.473 1.00 0.00 H new ATOM 574 N GLN A 42 7.906 -1.925 -12.032 1.00 0.00 N ATOM 575 CA GLN A 42 8.055 -0.610 -12.645 1.00 0.00 C ATOM 576 C GLN A 42 6.811 -0.241 -13.447 1.00 0.00 C ATOM 577 O GLN A 42 6.347 0.899 -13.402 1.00 0.00 O ATOM 578 CB GLN A 42 9.287 -0.583 -13.551 1.00 0.00 C ATOM 579 CG GLN A 42 10.567 -1.009 -12.850 1.00 0.00 C ATOM 580 CD GLN A 42 10.802 -2.504 -12.923 1.00 0.00 C ATOM 581 OE1 GLN A 42 10.259 -3.189 -13.790 1.00 0.00 O ATOM 582 NE2 GLN A 42 11.616 -3.021 -12.009 1.00 0.00 N ATOM 0 H GLN A 42 8.721 -2.531 -12.130 1.00 0.00 H new ATOM 0 HA GLN A 42 8.183 0.123 -11.848 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.115 -1.239 -14.405 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.416 0.425 -13.945 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.413 -0.490 -13.300 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.524 -0.702 -11.805 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.045 -2.417 -11.308 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.812 -4.022 -12.008 1.00 0.00 H new ATOM 591 N SER A 43 6.276 -1.211 -14.182 1.00 0.00 N ATOM 592 CA SER A 43 5.089 -0.986 -14.997 1.00 0.00 C ATOM 593 C SER A 43 3.922 -0.509 -14.138 1.00 0.00 C ATOM 594 O SER A 43 3.529 0.656 -14.199 1.00 0.00 O ATOM 595 CB SER A 43 4.701 -2.268 -15.736 1.00 0.00 C ATOM 596 OG SER A 43 5.720 -2.664 -16.639 1.00 0.00 O ATOM 0 H SER A 43 6.646 -2.160 -14.229 1.00 0.00 H new ATOM 0 HA SER A 43 5.322 -0.210 -15.726 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.519 -3.066 -15.016 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.770 -2.110 -16.280 1.00 0.00 H new ATOM 0 HG SER A 43 5.449 -3.487 -17.098 1.00 0.00 H new ATOM 602 N GLU A 44 3.373 -1.418 -13.339 1.00 0.00 N ATOM 603 CA GLU A 44 2.250 -1.090 -12.468 1.00 0.00 C ATOM 604 C GLU A 44 2.270 -1.951 -11.208 1.00 0.00 C ATOM 605 O GLU A 44 3.162 -2.779 -11.022 1.00 0.00 O ATOM 606 CB GLU A 44 0.926 -1.283 -13.210 1.00 0.00 C ATOM 607 CG GLU A 44 0.782 -2.654 -13.850 1.00 0.00 C ATOM 608 CD GLU A 44 -0.482 -2.780 -14.679 1.00 0.00 C ATOM 609 OE1 GLU A 44 -1.452 -2.046 -14.399 1.00 0.00 O ATOM 610 OE2 GLU A 44 -0.500 -3.615 -15.608 1.00 0.00 O ATOM 0 H GLU A 44 3.687 -2.386 -13.277 1.00 0.00 H new ATOM 0 HA GLU A 44 2.344 -0.044 -12.175 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.102 -1.128 -12.513 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.837 -0.519 -13.983 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.648 -2.848 -14.483 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.779 -3.416 -13.071 1.00 0.00 H new ATOM 617 N LEU A 45 1.280 -1.749 -10.345 1.00 0.00 N ATOM 618 CA LEU A 45 1.183 -2.505 -9.102 1.00 0.00 C ATOM 619 C LEU A 45 0.540 -3.868 -9.342 1.00 0.00 C ATOM 620 O LEU A 45 -0.395 -3.994 -10.132 1.00 0.00 O ATOM 621 CB LEU A 45 0.372 -1.722 -8.067 1.00 0.00 C ATOM 622 CG LEU A 45 0.769 -1.931 -6.606 1.00 0.00 C ATOM 623 CD1 LEU A 45 0.006 -0.974 -5.703 1.00 0.00 C ATOM 624 CD2 LEU A 45 0.524 -3.373 -6.187 1.00 0.00 C ATOM 0 H LEU A 45 0.533 -1.068 -10.484 1.00 0.00 H new ATOM 0 HA LEU A 45 2.192 -2.661 -8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.456 -0.660 -8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.678 -1.990 -8.179 1.00 0.00 H new ATOM 0 HG LEU A 45 1.834 -1.721 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.302 -1.138 -4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.233 0.053 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.064 -1.151 -5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.812 -3.503 -5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.533 -3.611 -6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.117 -4.040 -6.813 1.00 0.00 H new ATOM 636 N VAL A 46 1.047 -4.885 -8.654 1.00 0.00 N ATOM 637 CA VAL A 46 0.521 -6.238 -8.790 1.00 0.00 C ATOM 638 C VAL A 46 0.378 -6.911 -7.429 1.00 0.00 C ATOM 639 O VAL A 46 1.209 -6.723 -6.540 1.00 0.00 O ATOM 640 CB VAL A 46 1.426 -7.105 -9.686 1.00 0.00 C ATOM 641 CG1 VAL A 46 0.831 -8.494 -9.860 1.00 0.00 C ATOM 642 CG2 VAL A 46 1.639 -6.434 -11.034 1.00 0.00 C ATOM 0 H VAL A 46 1.822 -4.798 -7.996 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.461 -6.151 -9.255 1.00 0.00 H new ATOM 0 HB VAL A 46 2.396 -7.210 -9.201 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.484 -9.092 -10.496 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.735 -8.973 -8.886 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.152 -8.413 -10.323 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.280 -7.060 -11.655 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.677 -6.297 -11.528 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.112 -5.463 -10.886 1.00 0.00 H new ATOM 652 N LEU A 47 -0.682 -7.697 -7.273 1.00 0.00 N ATOM 653 CA LEU A 47 -0.935 -8.400 -6.020 1.00 0.00 C ATOM 654 C LEU A 47 -1.268 -9.866 -6.276 1.00 0.00 C ATOM 655 O LEU A 47 -2.394 -10.204 -6.644 1.00 0.00 O ATOM 656 CB LEU A 47 -2.082 -7.731 -5.260 1.00 0.00 C ATOM 657 CG LEU A 47 -2.020 -7.825 -3.735 1.00 0.00 C ATOM 658 CD1 LEU A 47 -3.227 -7.142 -3.109 1.00 0.00 C ATOM 659 CD2 LEU A 47 -1.939 -9.279 -3.293 1.00 0.00 C ATOM 0 H LEU A 47 -1.380 -7.863 -7.998 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.029 -8.352 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.110 -6.678 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.020 -8.174 -5.594 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.120 -7.312 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.166 -7.219 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.241 -6.091 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.140 -7.626 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.896 -9.327 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.820 -9.816 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.043 -9.737 -3.712 1.00 0.00 H new ATOM 671 N HIS A 48 -0.282 -10.735 -6.078 1.00 0.00 N ATOM 672 CA HIS A 48 -0.470 -12.167 -6.284 1.00 0.00 C ATOM 673 C HIS A 48 -1.317 -12.770 -5.168 1.00 0.00 C ATOM 674 O HIS A 48 -0.985 -12.650 -3.988 1.00 0.00 O ATOM 675 CB HIS A 48 0.882 -12.876 -6.354 1.00 0.00 C ATOM 676 CG HIS A 48 1.738 -12.424 -7.497 1.00 0.00 C ATOM 677 ND1 HIS A 48 1.693 -13.006 -8.747 1.00 0.00 N ATOM 678 CD2 HIS A 48 2.663 -11.439 -7.576 1.00 0.00 C ATOM 679 CE1 HIS A 48 2.555 -12.399 -9.544 1.00 0.00 C ATOM 680 NE2 HIS A 48 3.156 -11.444 -8.857 1.00 0.00 N ATOM 0 H HIS A 48 0.656 -10.473 -5.775 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.994 -12.307 -7.230 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.419 -12.709 -5.420 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.716 -13.950 -6.438 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.958 -10.773 -6.779 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.737 -12.642 -10.580 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.870 -10.813 -9.220 1.00 0.00 H new ATOM 689 N LEU A 49 -2.414 -13.416 -5.548 1.00 0.00 N ATOM 690 CA LEU A 49 -3.310 -14.038 -4.579 1.00 0.00 C ATOM 691 C LEU A 49 -3.511 -15.517 -4.894 1.00 0.00 C ATOM 692 O LEU A 49 -3.477 -15.925 -6.055 1.00 0.00 O ATOM 693 CB LEU A 49 -4.660 -13.319 -4.569 1.00 0.00 C ATOM 694 CG LEU A 49 -4.631 -11.842 -4.172 1.00 0.00 C ATOM 695 CD1 LEU A 49 -5.858 -11.121 -4.708 1.00 0.00 C ATOM 696 CD2 LEU A 49 -4.543 -11.698 -2.660 1.00 0.00 C ATOM 0 H LEU A 49 -2.704 -13.523 -6.520 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.853 -13.955 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.099 -13.399 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.325 -13.846 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.745 -11.384 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.820 -10.072 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.877 -11.194 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.758 -11.580 -4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.523 -10.641 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.410 -12.171 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.633 -12.179 -2.301 1.00 0.00 H new ATOM 789 N ALA A 54 -4.682 -12.705 -9.691 1.00 0.00 N ATOM 790 CA ALA A 54 -3.747 -11.609 -9.467 1.00 0.00 C ATOM 791 C ALA A 54 -4.316 -10.289 -9.975 1.00 0.00 C ATOM 792 O ALA A 54 -4.689 -10.170 -11.142 1.00 0.00 O ATOM 793 CB ALA A 54 -2.415 -11.906 -10.140 1.00 0.00 C ATOM 0 HA ALA A 54 -3.586 -11.515 -8.393 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.726 -11.079 -9.965 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.995 -12.823 -9.726 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.568 -12.029 -11.212 1.00 0.00 H new ATOM 799 N VAL A 55 -4.379 -9.298 -9.091 1.00 0.00 N ATOM 800 CA VAL A 55 -4.903 -7.986 -9.450 1.00 0.00 C ATOM 801 C VAL A 55 -3.774 -7.017 -9.783 1.00 0.00 C ATOM 802 O VAL A 55 -2.730 -7.015 -9.130 1.00 0.00 O ATOM 803 CB VAL A 55 -5.756 -7.392 -8.314 1.00 0.00 C ATOM 804 CG1 VAL A 55 -6.236 -5.995 -8.680 1.00 0.00 C ATOM 805 CG2 VAL A 55 -6.933 -8.303 -7.999 1.00 0.00 C ATOM 0 H VAL A 55 -4.074 -9.379 -8.121 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.531 -8.125 -10.330 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.136 -7.315 -7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.837 -5.592 -7.865 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.376 -5.348 -8.851 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.839 -6.043 -9.586 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.525 -7.868 -7.194 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.555 -8.414 -8.887 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.564 -9.281 -7.690 1.00 0.00 H new ATOM 815 N ARG A 56 -3.991 -6.192 -10.803 1.00 0.00 N ATOM 816 CA ARG A 56 -2.991 -5.218 -11.223 1.00 0.00 C ATOM 817 C ARG A 56 -3.562 -3.803 -11.188 1.00 0.00 C ATOM 818 O ARG A 56 -4.638 -3.544 -11.729 1.00 0.00 O ATOM 819 CB ARG A 56 -2.492 -5.543 -12.632 1.00 0.00 C ATOM 820 CG ARG A 56 -1.717 -6.848 -12.718 1.00 0.00 C ATOM 821 CD ARG A 56 -1.570 -7.315 -14.158 1.00 0.00 C ATOM 822 NE ARG A 56 -0.439 -8.223 -14.326 1.00 0.00 N ATOM 823 CZ ARG A 56 0.190 -8.407 -15.481 1.00 0.00 C ATOM 824 NH1 ARG A 56 -0.200 -7.750 -16.565 1.00 0.00 N ATOM 825 NH2 ARG A 56 1.212 -9.251 -15.555 1.00 0.00 N ATOM 0 H ARG A 56 -4.850 -6.179 -11.353 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.154 -5.271 -10.527 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.345 -5.592 -13.308 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.856 -4.729 -12.980 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.730 -6.716 -12.275 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.228 -7.615 -12.136 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.486 -7.815 -14.472 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.440 -6.450 -14.808 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.114 -8.744 -13.512 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.985 -7.101 -16.513 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.285 -7.894 -17.451 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.515 -9.759 -14.724 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.694 -9.391 -16.443 1.00 0.00 H new ATOM 839 N TRP A 57 -2.836 -2.894 -10.549 1.00 0.00 N ATOM 840 CA TRP A 57 -3.271 -1.506 -10.443 1.00 0.00 C ATOM 841 C TRP A 57 -2.233 -0.563 -11.040 1.00 0.00 C ATOM 842 O TRP A 57 -1.126 -0.412 -10.522 1.00 0.00 O ATOM 843 CB TRP A 57 -3.529 -1.141 -8.980 1.00 0.00 C ATOM 844 CG TRP A 57 -4.737 -1.815 -8.403 1.00 0.00 C ATOM 845 CD1 TRP A 57 -6.042 -1.567 -8.718 1.00 0.00 C ATOM 846 CD2 TRP A 57 -4.750 -2.846 -7.410 1.00 0.00 C ATOM 847 NE1 TRP A 57 -6.866 -2.382 -7.980 1.00 0.00 N ATOM 848 CE2 TRP A 57 -6.098 -3.177 -7.171 1.00 0.00 C ATOM 849 CE3 TRP A 57 -3.754 -3.524 -6.702 1.00 0.00 C ATOM 850 CZ2 TRP A 57 -6.473 -4.154 -6.253 1.00 0.00 C ATOM 851 CZ3 TRP A 57 -4.128 -4.493 -5.791 1.00 0.00 C ATOM 852 CH2 TRP A 57 -5.478 -4.802 -5.573 1.00 0.00 C ATOM 0 H TRP A 57 -1.944 -3.092 -10.096 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.198 -1.398 -11.006 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.655 -1.409 -8.387 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -3.651 -0.061 -8.899 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.377 -0.838 -9.441 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.885 -2.393 -8.027 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -2.711 -3.295 -6.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.513 -4.392 -6.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.367 -5.022 -5.237 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.737 -5.566 -4.855 1.00 0.00 H new ATOM 863 N PRO A 58 -2.595 0.089 -12.155 1.00 0.00 N ATOM 864 CA PRO A 58 -1.707 1.029 -12.846 1.00 0.00 C ATOM 865 C PRO A 58 -1.490 2.312 -12.050 1.00 0.00 C ATOM 866 O PRO A 58 -2.428 3.071 -11.810 1.00 0.00 O ATOM 867 CB PRO A 58 -2.453 1.328 -14.149 1.00 0.00 C ATOM 868 CG PRO A 58 -3.887 1.077 -13.831 1.00 0.00 C ATOM 869 CD PRO A 58 -3.898 -0.042 -12.828 1.00 0.00 C ATOM 0 HA PRO A 58 -0.710 0.614 -12.995 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.293 2.357 -14.469 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.109 0.685 -14.959 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.359 1.971 -13.423 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.444 0.803 -14.727 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.725 0.057 -12.125 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.005 -1.013 -13.311 1.00 0.00 H new ATOM 877 N TYR A 59 -0.247 2.547 -11.645 1.00 0.00 N ATOM 878 CA TYR A 59 0.094 3.737 -10.875 1.00 0.00 C ATOM 879 C TYR A 59 -0.440 4.995 -11.552 1.00 0.00 C ATOM 880 O TYR A 59 -1.069 5.840 -10.912 1.00 0.00 O ATOM 881 CB TYR A 59 1.610 3.842 -10.701 1.00 0.00 C ATOM 882 CG TYR A 59 2.252 2.565 -10.207 1.00 0.00 C ATOM 883 CD1 TYR A 59 1.854 1.983 -9.010 1.00 0.00 C ATOM 884 CD2 TYR A 59 3.258 1.943 -10.936 1.00 0.00 C ATOM 885 CE1 TYR A 59 2.439 0.817 -8.553 1.00 0.00 C ATOM 886 CE2 TYR A 59 3.847 0.776 -10.488 1.00 0.00 C ATOM 887 CZ TYR A 59 3.434 0.217 -9.296 1.00 0.00 C ATOM 888 OH TYR A 59 4.020 -0.944 -8.846 1.00 0.00 O ATOM 0 H TYR A 59 0.541 1.929 -11.837 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.372 3.649 -9.893 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.059 4.119 -11.655 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.832 4.646 -9.999 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.074 2.450 -8.426 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.585 2.379 -11.868 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.119 0.378 -7.619 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.626 0.304 -11.068 1.00 0.00 H new ATOM 0 HH TYR A 59 4.641 -1.281 -9.525 1.00 0.00 H new ATOM 898 N LEU A 60 -0.185 5.114 -12.850 1.00 0.00 N ATOM 899 CA LEU A 60 -0.640 6.269 -13.617 1.00 0.00 C ATOM 900 C LEU A 60 -2.089 6.609 -13.281 1.00 0.00 C ATOM 901 O LEU A 60 -2.471 7.779 -13.255 1.00 0.00 O ATOM 902 CB LEU A 60 -0.503 5.997 -15.116 1.00 0.00 C ATOM 903 CG LEU A 60 -0.916 4.601 -15.585 1.00 0.00 C ATOM 904 CD1 LEU A 60 -1.442 4.652 -17.011 1.00 0.00 C ATOM 905 CD2 LEU A 60 0.255 3.635 -15.481 1.00 0.00 C ATOM 0 H LEU A 60 0.334 4.425 -13.394 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.014 7.121 -13.350 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.102 6.731 -15.654 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.536 6.162 -15.401 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.715 4.242 -14.937 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.731 3.650 -17.328 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.309 5.311 -17.056 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.663 5.031 -17.673 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.057 2.647 -15.819 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.075 3.989 -16.105 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.587 3.576 -14.444 1.00 0.00 H new ATOM 917 N CYS A 61 -2.888 5.580 -13.023 1.00 0.00 N ATOM 918 CA CYS A 61 -4.295 5.770 -12.686 1.00 0.00 C ATOM 919 C CYS A 61 -4.461 6.093 -11.205 1.00 0.00 C ATOM 920 O CYS A 61 -5.343 6.862 -10.821 1.00 0.00 O ATOM 921 CB CYS A 61 -5.099 4.519 -13.041 1.00 0.00 C ATOM 922 SG CYS A 61 -5.015 4.058 -14.788 1.00 0.00 S ATOM 0 H CYS A 61 -2.586 4.606 -13.041 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.672 6.612 -13.267 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.738 3.685 -12.439 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.142 4.681 -12.769 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.724 2.987 -14.989 1.00 0.00 H new ATOM 928 N LEU A 62 -3.608 5.501 -10.377 1.00 0.00 N ATOM 929 CA LEU A 62 -3.661 5.724 -8.936 1.00 0.00 C ATOM 930 C LEU A 62 -3.709 7.215 -8.617 1.00 0.00 C ATOM 931 O LEU A 62 -2.700 7.914 -8.714 1.00 0.00 O ATOM 932 CB LEU A 62 -2.449 5.085 -8.256 1.00 0.00 C ATOM 933 CG LEU A 62 -2.479 3.562 -8.123 1.00 0.00 C ATOM 934 CD1 LEU A 62 -1.209 3.059 -7.455 1.00 0.00 C ATOM 935 CD2 LEU A 62 -3.707 3.120 -7.339 1.00 0.00 C ATOM 0 H LEU A 62 -2.871 4.863 -10.678 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.571 5.260 -8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.555 5.363 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.348 5.515 -7.259 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.535 3.130 -9.122 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.249 1.973 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.345 3.344 -8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.122 3.499 -6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.713 2.033 -7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.681 3.562 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.608 3.448 -7.858 1.00 0.00 H new ATOM 947 N ARG A 63 -4.888 7.695 -8.236 1.00 0.00 N ATOM 948 CA ARG A 63 -5.068 9.103 -7.902 1.00 0.00 C ATOM 949 C ARG A 63 -4.265 9.473 -6.658 1.00 0.00 C ATOM 950 O ARG A 63 -3.485 10.426 -6.672 1.00 0.00 O ATOM 951 CB ARG A 63 -6.549 9.410 -7.675 1.00 0.00 C ATOM 952 CG ARG A 63 -6.929 10.847 -7.996 1.00 0.00 C ATOM 953 CD ARG A 63 -6.894 11.111 -9.493 1.00 0.00 C ATOM 954 NE ARG A 63 -7.839 10.268 -10.220 1.00 0.00 N ATOM 955 CZ ARG A 63 -9.155 10.446 -10.193 1.00 0.00 C ATOM 956 NH1 ARG A 63 -9.679 11.433 -9.479 1.00 0.00 N ATOM 957 NH2 ARG A 63 -9.950 9.637 -10.881 1.00 0.00 N ATOM 0 H ARG A 63 -5.733 7.130 -8.151 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.705 9.699 -8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.149 8.738 -8.289 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.800 9.200 -6.635 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.928 11.055 -7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.245 11.527 -7.489 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.124 12.160 -9.682 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.886 10.933 -9.869 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.468 9.500 -10.779 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.071 12.058 -8.949 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.690 11.568 -9.460 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.551 8.877 -11.432 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.960 9.775 -10.859 1.00 0.00 H new ATOM 971 N ARG A 64 -4.462 8.715 -5.585 1.00 0.00 N ATOM 972 CA ARG A 64 -3.757 8.964 -4.333 1.00 0.00 C ATOM 973 C ARG A 64 -3.464 7.656 -3.604 1.00 0.00 C ATOM 974 O ARG A 64 -4.069 6.623 -3.893 1.00 0.00 O ATOM 975 CB ARG A 64 -4.582 9.887 -3.434 1.00 0.00 C ATOM 976 CG ARG A 64 -5.936 9.312 -3.050 1.00 0.00 C ATOM 977 CD ARG A 64 -6.912 10.407 -2.647 1.00 0.00 C ATOM 978 NE ARG A 64 -8.301 9.996 -2.830 1.00 0.00 N ATOM 979 CZ ARG A 64 -9.322 10.551 -2.186 1.00 0.00 C ATOM 980 NH1 ARG A 64 -9.110 11.535 -1.323 1.00 0.00 N ATOM 981 NH2 ARG A 64 -10.559 10.123 -2.407 1.00 0.00 N ATOM 0 H ARG A 64 -5.104 7.923 -5.557 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.809 9.448 -4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.016 10.098 -2.527 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.732 10.838 -3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.345 8.749 -3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.814 8.610 -2.225 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.747 10.673 -1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.718 11.302 -3.239 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.498 9.242 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.161 11.868 -1.152 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.896 11.959 -0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.726 9.368 -3.072 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.342 10.550 -1.912 1.00 0.00 H new ATOM 995 N TYR A 65 -2.532 7.708 -2.660 1.00 0.00 N ATOM 996 CA TYR A 65 -2.155 6.527 -1.892 1.00 0.00 C ATOM 997 C TYR A 65 -1.512 6.922 -0.566 1.00 0.00 C ATOM 998 O TYR A 65 -0.752 7.887 -0.494 1.00 0.00 O ATOM 999 CB TYR A 65 -1.193 5.653 -2.698 1.00 0.00 C ATOM 1000 CG TYR A 65 0.005 6.405 -3.232 1.00 0.00 C ATOM 1001 CD1 TYR A 65 -0.085 7.156 -4.398 1.00 0.00 C ATOM 1002 CD2 TYR A 65 1.226 6.365 -2.571 1.00 0.00 C ATOM 1003 CE1 TYR A 65 1.008 7.844 -4.890 1.00 0.00 C ATOM 1004 CE2 TYR A 65 2.323 7.051 -3.055 1.00 0.00 C ATOM 1005 CZ TYR A 65 2.209 7.789 -4.215 1.00 0.00 C ATOM 1006 OH TYR A 65 3.300 8.473 -4.700 1.00 0.00 O ATOM 0 H TYR A 65 -2.023 8.555 -2.408 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.061 5.958 -1.681 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.846 4.833 -2.069 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.733 5.207 -3.533 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.025 7.203 -4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.319 5.788 -1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.922 8.422 -5.798 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.265 7.010 -2.528 1.00 0.00 H new ATOM 0 HH TYR A 65 3.493 8.176 -5.614 1.00 0.00 H new ATOM 1016 N GLY A 66 -1.822 6.166 0.483 1.00 0.00 N ATOM 1017 CA GLY A 66 -1.266 6.451 1.793 1.00 0.00 C ATOM 1018 C GLY A 66 -0.739 5.208 2.482 1.00 0.00 C ATOM 1019 O GLY A 66 -0.782 4.113 1.921 1.00 0.00 O ATOM 0 H GLY A 66 -2.448 5.361 0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.459 7.176 1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.032 6.912 2.417 1.00 0.00 H new ATOM 1023 N TYR A 67 -0.240 5.376 3.702 1.00 0.00 N ATOM 1024 CA TYR A 67 0.302 4.259 4.467 1.00 0.00 C ATOM 1025 C TYR A 67 0.465 4.634 5.937 1.00 0.00 C ATOM 1026 O TYR A 67 0.977 5.705 6.263 1.00 0.00 O ATOM 1027 CB TYR A 67 1.648 3.822 3.888 1.00 0.00 C ATOM 1028 CG TYR A 67 2.789 4.751 4.241 1.00 0.00 C ATOM 1029 CD1 TYR A 67 2.722 6.107 3.948 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.933 4.271 4.866 1.00 0.00 C ATOM 1031 CE1 TYR A 67 3.762 6.959 4.267 1.00 0.00 C ATOM 1032 CE2 TYR A 67 4.977 5.116 5.191 1.00 0.00 C ATOM 1033 CZ TYR A 67 4.887 6.459 4.889 1.00 0.00 C ATOM 1034 OH TYR A 67 5.925 7.303 5.210 1.00 0.00 O ATOM 0 H TYR A 67 -0.200 6.275 4.182 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.401 3.429 4.398 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.881 2.820 4.249 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.564 3.759 2.803 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.842 6.502 3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.008 3.220 5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.694 8.011 4.031 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.859 4.727 5.679 1.00 0.00 H new ATOM 0 HH TYR A 67 6.640 6.792 5.644 1.00 0.00 H new ATOM 1044 N ASP A 68 0.026 3.743 6.819 1.00 0.00 N ATOM 1045 CA ASP A 68 0.124 3.978 8.255 1.00 0.00 C ATOM 1046 C ASP A 68 1.195 3.089 8.879 1.00 0.00 C ATOM 1047 O ASP A 68 1.893 2.356 8.179 1.00 0.00 O ATOM 1048 CB ASP A 68 -1.225 3.721 8.929 1.00 0.00 C ATOM 1049 CG ASP A 68 -1.430 4.580 10.161 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -1.441 5.821 10.024 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -1.578 4.011 11.263 1.00 0.00 O ATOM 0 H ASP A 68 -0.401 2.852 6.565 1.00 0.00 H new ATOM 0 HA ASP A 68 0.406 5.020 8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.027 3.916 8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.294 2.669 9.207 1.00 0.00 H new ATOM 1056 N SER A 69 1.320 3.161 10.201 1.00 0.00 N ATOM 1057 CA SER A 69 2.310 2.367 10.919 1.00 0.00 C ATOM 1058 C SER A 69 2.435 0.974 10.309 1.00 0.00 C ATOM 1059 O SER A 69 3.412 0.669 9.625 1.00 0.00 O ATOM 1060 CB SER A 69 1.931 2.256 12.397 1.00 0.00 C ATOM 1061 OG SER A 69 2.387 3.383 13.126 1.00 0.00 O ATOM 0 H SER A 69 0.748 3.761 10.796 1.00 0.00 H new ATOM 0 HA SER A 69 3.273 2.870 10.835 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.849 2.171 12.493 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.361 1.348 12.819 1.00 0.00 H new ATOM 0 HG SER A 69 2.131 3.289 14.067 1.00 0.00 H new ATOM 1067 N ASN A 70 1.438 0.132 10.562 1.00 0.00 N ATOM 1068 CA ASN A 70 1.436 -1.229 10.039 1.00 0.00 C ATOM 1069 C ASN A 70 0.246 -1.453 9.110 1.00 0.00 C ATOM 1070 O ASN A 70 -0.361 -2.525 9.109 1.00 0.00 O ATOM 1071 CB ASN A 70 1.398 -2.239 11.188 1.00 0.00 C ATOM 1072 CG ASN A 70 2.386 -1.902 12.287 1.00 0.00 C ATOM 1073 OD1 ASN A 70 3.530 -1.533 12.018 1.00 0.00 O ATOM 1074 ND2 ASN A 70 1.949 -2.028 13.535 1.00 0.00 N ATOM 0 H ASN A 70 0.622 0.368 11.126 1.00 0.00 H new ATOM 0 HA ASN A 70 2.353 -1.374 9.467 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.392 -2.272 11.606 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.615 -3.234 10.800 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.569 -1.816 14.316 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.993 -2.337 13.712 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.081 -0.436 8.321 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.197 -0.521 7.387 1.00 0.00 C ATOM 1083 C LEU A 71 -0.823 0.079 6.035 1.00 0.00 C ATOM 1084 O LEU A 71 0.067 0.925 5.945 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.421 0.200 7.956 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.698 0.117 7.120 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -4.205 -1.316 7.061 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -4.767 1.040 7.686 1.00 0.00 C ATOM 0 H LEU A 71 0.411 0.457 8.310 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.438 -1.574 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.631 -0.208 8.945 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.168 1.251 8.092 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.467 0.441 6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.115 -1.356 6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.445 -1.953 6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.420 -1.668 8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.669 0.968 7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.995 0.747 8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.403 2.068 7.675 1.00 0.00 H new ATOM 1100 N PHE A 72 -1.510 -0.363 4.987 1.00 0.00 N ATOM 1101 CA PHE A 72 -1.250 0.131 3.639 1.00 0.00 C ATOM 1102 C PHE A 72 -2.549 0.265 2.850 1.00 0.00 C ATOM 1103 O PHE A 72 -3.129 -0.729 2.414 1.00 0.00 O ATOM 1104 CB PHE A 72 -0.289 -0.807 2.906 1.00 0.00 C ATOM 1105 CG PHE A 72 -0.028 -0.404 1.483 1.00 0.00 C ATOM 1106 CD1 PHE A 72 0.453 0.861 1.184 1.00 0.00 C ATOM 1107 CD2 PHE A 72 -0.263 -1.290 0.444 1.00 0.00 C ATOM 1108 CE1 PHE A 72 0.693 1.234 -0.125 1.00 0.00 C ATOM 1109 CE2 PHE A 72 -0.024 -0.922 -0.867 1.00 0.00 C ATOM 1110 CZ PHE A 72 0.456 0.341 -1.152 1.00 0.00 C ATOM 0 H PHE A 72 -2.251 -1.062 5.045 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.792 1.117 3.722 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.657 -0.839 3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.698 -1.817 2.920 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.642 1.563 1.983 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.637 -2.280 0.661 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.066 2.223 -0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.213 -1.622 -1.668 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.646 0.630 -2.175 1.00 0.00 H new ATOM 1120 N SER A 73 -3.001 1.503 2.671 1.00 0.00 N ATOM 1121 CA SER A 73 -4.233 1.768 1.938 1.00 0.00 C ATOM 1122 C SER A 73 -3.966 2.663 0.732 1.00 0.00 C ATOM 1123 O SER A 73 -3.120 3.556 0.782 1.00 0.00 O ATOM 1124 CB SER A 73 -5.266 2.426 2.856 1.00 0.00 C ATOM 1125 OG SER A 73 -6.466 2.705 2.156 1.00 0.00 O ATOM 0 H SER A 73 -2.532 2.337 3.024 1.00 0.00 H new ATOM 0 HA SER A 73 -4.627 0.816 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.478 1.769 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.857 3.350 3.266 1.00 0.00 H new ATOM 0 HG SER A 73 -6.651 3.667 2.194 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.694 2.417 -0.352 1.00 0.00 N ATOM 1132 CA PHE A 74 -4.535 3.199 -1.573 1.00 0.00 C ATOM 1133 C PHE A 74 -5.837 3.235 -2.368 1.00 0.00 C ATOM 1134 O PHE A 74 -6.598 2.268 -2.376 1.00 0.00 O ATOM 1135 CB PHE A 74 -3.414 2.616 -2.436 1.00 0.00 C ATOM 1136 CG PHE A 74 -3.575 1.149 -2.717 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -4.281 0.717 -3.828 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -3.019 0.203 -1.871 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -4.431 -0.632 -4.088 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -3.166 -1.148 -2.126 1.00 0.00 C ATOM 1141 CZ PHE A 74 -3.872 -1.566 -3.237 1.00 0.00 C ATOM 0 H PHE A 74 -5.400 1.683 -0.410 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.273 4.219 -1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.376 3.157 -3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.459 2.779 -1.936 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.719 1.442 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.464 0.525 -1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.985 -0.956 -4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.729 -1.875 -1.457 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.987 -2.620 -3.440 1.00 0.00 H new ATOM 1151 N GLU A 75 -6.086 4.358 -3.035 1.00 0.00 N ATOM 1152 CA GLU A 75 -7.296 4.521 -3.832 1.00 0.00 C ATOM 1153 C GLU A 75 -7.018 4.244 -5.306 1.00 0.00 C ATOM 1154 O GLU A 75 -6.021 4.709 -5.859 1.00 0.00 O ATOM 1155 CB GLU A 75 -7.857 5.934 -3.664 1.00 0.00 C ATOM 1156 CG GLU A 75 -8.849 6.063 -2.520 1.00 0.00 C ATOM 1157 CD GLU A 75 -8.170 6.224 -1.174 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -6.983 5.854 -1.060 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -8.826 6.720 -0.234 1.00 0.00 O ATOM 0 H GLU A 75 -5.466 5.168 -3.039 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.033 3.801 -3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.032 6.626 -3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.344 6.235 -4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.497 6.921 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.488 5.180 -2.497 1.00 0.00 H new ATOM 1166 N SER A 76 -7.906 3.482 -5.937 1.00 0.00 N ATOM 1167 CA SER A 76 -7.755 3.139 -7.346 1.00 0.00 C ATOM 1168 C SER A 76 -8.899 3.718 -8.172 1.00 0.00 C ATOM 1169 O SER A 76 -10.014 3.885 -7.678 1.00 0.00 O ATOM 1170 CB SER A 76 -7.703 1.620 -7.520 1.00 0.00 C ATOM 1171 OG SER A 76 -7.939 1.253 -8.868 1.00 0.00 O ATOM 0 H SER A 76 -8.737 3.091 -5.494 1.00 0.00 H new ATOM 0 HA SER A 76 -6.819 3.571 -7.701 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.729 1.248 -7.204 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.448 1.151 -6.876 1.00 0.00 H new ATOM 0 HG SER A 76 -8.898 1.105 -9.004 1.00 0.00 H new ATOM 1177 N GLY A 77 -8.615 4.023 -9.435 1.00 0.00 N ATOM 1178 CA GLY A 77 -9.629 4.580 -10.310 1.00 0.00 C ATOM 1179 C GLY A 77 -10.961 3.869 -10.181 1.00 0.00 C ATOM 1180 O GLY A 77 -11.049 2.810 -9.560 1.00 0.00 O ATOM 0 H GLY A 77 -7.700 3.894 -9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.761 5.637 -10.080 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.287 4.519 -11.343 1.00 0.00 H new ATOM 1184 N ARG A 78 -12.001 4.452 -10.767 1.00 0.00 N ATOM 1185 CA ARG A 78 -13.336 3.869 -10.712 1.00 0.00 C ATOM 1186 C ARG A 78 -13.523 2.835 -11.818 1.00 0.00 C ATOM 1187 O ARG A 78 -13.948 1.708 -11.563 1.00 0.00 O ATOM 1188 CB ARG A 78 -14.399 4.962 -10.835 1.00 0.00 C ATOM 1189 CG ARG A 78 -14.334 5.730 -12.145 1.00 0.00 C ATOM 1190 CD ARG A 78 -15.362 6.850 -12.185 1.00 0.00 C ATOM 1191 NE ARG A 78 -14.950 7.999 -11.385 1.00 0.00 N ATOM 1192 CZ ARG A 78 -15.373 9.239 -11.606 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -16.216 9.488 -12.599 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -14.953 10.233 -10.834 1.00 0.00 N ATOM 0 H ARG A 78 -11.945 5.328 -11.286 1.00 0.00 H new ATOM 0 HA ARG A 78 -13.448 3.370 -9.749 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -15.386 4.510 -10.737 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.286 5.662 -10.007 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.335 6.147 -12.275 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -14.505 5.047 -12.977 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -15.516 7.164 -13.217 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -16.319 6.477 -11.819 1.00 0.00 H new ATOM 0 HE ARG A 78 -14.302 7.841 -10.614 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.541 8.727 -13.195 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.539 10.441 -12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.304 10.046 -10.069 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.279 11.184 -11.005 1.00 0.00 H new ATOM 1208 N ARG A 79 -13.204 3.227 -13.048 1.00 0.00 N ATOM 1209 CA ARG A 79 -13.339 2.335 -14.193 1.00 0.00 C ATOM 1210 C ARG A 79 -12.148 1.386 -14.287 1.00 0.00 C ATOM 1211 O ARG A 79 -11.236 1.596 -15.088 1.00 0.00 O ATOM 1212 CB ARG A 79 -13.463 3.145 -15.485 1.00 0.00 C ATOM 1213 CG ARG A 79 -12.371 4.188 -15.657 1.00 0.00 C ATOM 1214 CD ARG A 79 -12.127 4.502 -17.125 1.00 0.00 C ATOM 1215 NE ARG A 79 -11.673 3.330 -17.867 1.00 0.00 N ATOM 1216 CZ ARG A 79 -10.407 2.928 -17.904 1.00 0.00 C ATOM 1217 NH1 ARG A 79 -9.475 3.601 -17.243 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -10.072 1.851 -18.603 1.00 0.00 N ATOM 0 H ARG A 79 -12.850 4.156 -13.276 1.00 0.00 H new ATOM 0 HA ARG A 79 -14.243 1.742 -14.055 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.440 2.463 -16.335 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.433 3.641 -15.501 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.651 5.100 -15.130 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.448 3.828 -15.202 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.046 4.881 -17.572 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.383 5.294 -17.207 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.366 2.790 -18.386 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.729 4.429 -16.705 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.504 3.290 -17.273 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.787 1.331 -19.112 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.100 1.543 -18.631 1.00 0.00 H new ATOM 1232 N CYS A 80 -12.162 0.344 -13.463 1.00 0.00 N ATOM 1233 CA CYS A 80 -11.082 -0.636 -13.452 1.00 0.00 C ATOM 1234 C CYS A 80 -11.573 -1.980 -12.925 1.00 0.00 C ATOM 1235 O CYS A 80 -12.666 -2.077 -12.367 1.00 0.00 O ATOM 1236 CB CYS A 80 -9.918 -0.134 -12.597 1.00 0.00 C ATOM 1237 SG CYS A 80 -10.409 0.474 -10.966 1.00 0.00 S ATOM 0 H CYS A 80 -12.909 0.156 -12.794 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.738 -0.772 -14.477 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -9.199 -0.943 -12.470 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.406 0.666 -13.132 1.00 0.00 H new ATOM 0 HG CYS A 80 -10.795 1.711 -11.062 1.00 0.00 H new ATOM 1243 N GLN A 81 -10.759 -3.015 -13.108 1.00 0.00 N ATOM 1244 CA GLN A 81 -11.112 -4.354 -12.653 1.00 0.00 C ATOM 1245 C GLN A 81 -11.833 -4.300 -11.310 1.00 0.00 C ATOM 1246 O GLN A 81 -13.043 -4.514 -11.233 1.00 0.00 O ATOM 1247 CB GLN A 81 -9.859 -5.224 -12.538 1.00 0.00 C ATOM 1248 CG GLN A 81 -9.444 -5.869 -13.850 1.00 0.00 C ATOM 1249 CD GLN A 81 -8.681 -7.163 -13.649 1.00 0.00 C ATOM 1250 OE1 GLN A 81 -9.169 -8.243 -13.984 1.00 0.00 O ATOM 1251 NE2 GLN A 81 -7.477 -7.062 -13.099 1.00 0.00 N ATOM 0 H GLN A 81 -9.851 -2.952 -13.568 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.785 -4.795 -13.389 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.036 -4.614 -12.166 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.036 -6.005 -11.799 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.332 -6.065 -14.451 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.825 -5.171 -14.414 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.111 -6.147 -12.837 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.918 -7.900 -12.939 1.00 0.00 H new ATOM 1260 N THR A 82 -11.082 -4.013 -10.251 1.00 0.00 N ATOM 1261 CA THR A 82 -11.648 -3.932 -8.911 1.00 0.00 C ATOM 1262 C THR A 82 -12.773 -2.905 -8.850 1.00 0.00 C ATOM 1263 O THR A 82 -13.870 -3.199 -8.377 1.00 0.00 O ATOM 1264 CB THR A 82 -10.575 -3.563 -7.869 1.00 0.00 C ATOM 1265 OG1 THR A 82 -9.936 -2.336 -8.237 1.00 0.00 O ATOM 1266 CG2 THR A 82 -9.535 -4.666 -7.749 1.00 0.00 C ATOM 0 H THR A 82 -10.079 -3.833 -10.296 1.00 0.00 H new ATOM 0 HA THR A 82 -12.047 -4.919 -8.677 1.00 0.00 H new ATOM 0 HB THR A 82 -11.065 -3.441 -6.903 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.770 -1.800 -7.434 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.788 -4.383 -7.008 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.020 -5.592 -7.440 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.050 -4.815 -8.714 1.00 0.00 H new ATOM 1274 N GLY A 83 -12.494 -1.699 -9.334 1.00 0.00 N ATOM 1275 CA GLY A 83 -13.494 -0.647 -9.326 1.00 0.00 C ATOM 1276 C GLY A 83 -13.249 0.377 -8.235 1.00 0.00 C ATOM 1277 O GLY A 83 -12.397 0.179 -7.370 1.00 0.00 O ATOM 0 H GLY A 83 -11.594 -1.431 -9.732 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.499 -0.147 -10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.481 -1.089 -9.190 1.00 0.00 H new ATOM 1281 N GLN A 84 -13.998 1.475 -8.278 1.00 0.00 N ATOM 1282 CA GLN A 84 -13.855 2.534 -7.286 1.00 0.00 C ATOM 1283 C GLN A 84 -13.957 1.973 -5.871 1.00 0.00 C ATOM 1284 O GLN A 84 -14.852 1.185 -5.568 1.00 0.00 O ATOM 1285 CB GLN A 84 -14.923 3.608 -7.500 1.00 0.00 C ATOM 1286 CG GLN A 84 -14.641 4.903 -6.756 1.00 0.00 C ATOM 1287 CD GLN A 84 -13.827 5.883 -7.579 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -14.369 6.828 -8.153 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -12.519 5.663 -7.640 1.00 0.00 N ATOM 0 H GLN A 84 -14.708 1.654 -8.988 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.869 2.982 -7.409 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.003 3.821 -8.566 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.889 3.217 -7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.585 5.368 -6.473 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.107 4.678 -5.833 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.112 4.867 -7.148 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.921 6.290 -8.178 1.00 0.00 H new ATOM 1298 N GLY A 85 -13.033 2.385 -5.008 1.00 0.00 N ATOM 1299 CA GLY A 85 -13.037 1.912 -3.636 1.00 0.00 C ATOM 1300 C GLY A 85 -11.698 2.106 -2.953 1.00 0.00 C ATOM 1301 O GLY A 85 -10.760 2.636 -3.549 1.00 0.00 O ATOM 0 H GLY A 85 -12.282 3.037 -5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.808 2.440 -3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.300 0.854 -3.620 1.00 0.00 H new ATOM 1305 N ILE A 86 -11.608 1.676 -1.699 1.00 0.00 N ATOM 1306 CA ILE A 86 -10.374 1.805 -0.934 1.00 0.00 C ATOM 1307 C ILE A 86 -9.906 0.451 -0.412 1.00 0.00 C ATOM 1308 O ILE A 86 -10.502 -0.113 0.505 1.00 0.00 O ATOM 1309 CB ILE A 86 -10.546 2.769 0.255 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -10.941 4.161 -0.243 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -9.265 2.836 1.072 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -11.616 5.010 0.812 1.00 0.00 C ATOM 0 H ILE A 86 -12.375 1.235 -1.191 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.623 2.209 -1.613 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.343 2.393 0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -10.049 4.678 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.610 4.056 -1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.402 3.521 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.023 1.843 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.450 3.192 0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.868 5.983 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.526 4.514 1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.941 5.145 1.657 1.00 0.00 H new ATOM 1324 N PHE A 87 -8.833 -0.066 -1.003 1.00 0.00 N ATOM 1325 CA PHE A 87 -8.283 -1.354 -0.597 1.00 0.00 C ATOM 1326 C PHE A 87 -7.104 -1.168 0.353 1.00 0.00 C ATOM 1327 O PHE A 87 -6.083 -0.586 -0.014 1.00 0.00 O ATOM 1328 CB PHE A 87 -7.842 -2.154 -1.825 1.00 0.00 C ATOM 1329 CG PHE A 87 -8.769 -2.010 -2.998 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -10.039 -2.563 -2.967 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -8.370 -1.321 -4.132 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -10.893 -2.433 -4.045 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -9.220 -1.188 -5.214 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.484 -1.744 -5.170 1.00 0.00 C ATOM 0 H PHE A 87 -8.328 0.387 -1.764 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.064 -1.905 -0.074 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.843 -1.832 -2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.770 -3.208 -1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.365 -3.102 -2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.384 -0.883 -4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.880 -2.870 -4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.896 -0.650 -6.093 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.151 -1.640 -6.013 1.00 0.00 H new ATOM 1344 N ALA A 88 -7.253 -1.665 1.576 1.00 0.00 N ATOM 1345 CA ALA A 88 -6.201 -1.555 2.579 1.00 0.00 C ATOM 1346 C ALA A 88 -5.680 -2.930 2.981 1.00 0.00 C ATOM 1347 O ALA A 88 -6.437 -3.899 3.041 1.00 0.00 O ATOM 1348 CB ALA A 88 -6.711 -0.804 3.800 1.00 0.00 C ATOM 0 H ALA A 88 -8.092 -2.148 1.896 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.374 -0.995 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.914 -0.730 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.027 0.197 3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.557 -1.340 4.230 1.00 0.00 H new ATOM 1354 N PHE A 89 -4.382 -3.009 3.256 1.00 0.00 N ATOM 1355 CA PHE A 89 -3.759 -4.267 3.651 1.00 0.00 C ATOM 1356 C PHE A 89 -2.793 -4.054 4.813 1.00 0.00 C ATOM 1357 O PHE A 89 -2.026 -3.091 4.830 1.00 0.00 O ATOM 1358 CB PHE A 89 -3.019 -4.889 2.465 1.00 0.00 C ATOM 1359 CG PHE A 89 -3.824 -4.904 1.197 1.00 0.00 C ATOM 1360 CD1 PHE A 89 -3.974 -3.752 0.442 1.00 0.00 C ATOM 1361 CD2 PHE A 89 -4.431 -6.071 0.761 1.00 0.00 C ATOM 1362 CE1 PHE A 89 -4.714 -3.764 -0.725 1.00 0.00 C ATOM 1363 CE2 PHE A 89 -5.171 -6.088 -0.406 1.00 0.00 C ATOM 1364 CZ PHE A 89 -5.315 -4.933 -1.149 1.00 0.00 C ATOM 0 H PHE A 89 -3.741 -2.217 3.213 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.546 -4.947 3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.095 -4.336 2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.737 -5.911 2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.507 -2.835 0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.325 -6.977 1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.822 -2.860 -1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.637 -7.005 -0.737 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.896 -4.944 -2.059 1.00 0.00 H new ATOM 1374 N LYS A 90 -2.837 -4.961 5.784 1.00 0.00 N ATOM 1375 CA LYS A 90 -1.966 -4.875 6.950 1.00 0.00 C ATOM 1376 C LYS A 90 -0.593 -5.465 6.649 1.00 0.00 C ATOM 1377 O LYS A 90 -0.460 -6.667 6.419 1.00 0.00 O ATOM 1378 CB LYS A 90 -2.597 -5.606 8.138 1.00 0.00 C ATOM 1379 CG LYS A 90 -3.479 -4.718 9.000 1.00 0.00 C ATOM 1380 CD LYS A 90 -4.315 -5.536 9.969 1.00 0.00 C ATOM 1381 CE LYS A 90 -4.810 -4.688 11.131 1.00 0.00 C ATOM 1382 NZ LYS A 90 -3.812 -4.623 12.235 1.00 0.00 N ATOM 0 H LYS A 90 -3.467 -5.764 5.786 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.842 -3.822 7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.190 -6.442 7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.805 -6.028 8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.857 -4.017 9.557 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.135 -4.126 8.362 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.167 -5.967 9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.722 -6.368 10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.027 -3.680 10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.745 -5.101 11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.187 -4.036 13.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.623 -5.582 12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.928 -4.205 11.880 1.00 0.00 H new ATOM 1396 N CYS A 91 0.426 -4.612 6.653 1.00 0.00 N ATOM 1397 CA CYS A 91 1.791 -5.050 6.380 1.00 0.00 C ATOM 1398 C CYS A 91 2.798 -4.200 7.148 1.00 0.00 C ATOM 1399 O CYS A 91 3.029 -3.039 6.811 1.00 0.00 O ATOM 1400 CB CYS A 91 2.081 -4.977 4.881 1.00 0.00 C ATOM 1401 SG CYS A 91 3.642 -5.749 4.393 1.00 0.00 S ATOM 0 H CYS A 91 0.333 -3.614 6.842 1.00 0.00 H new ATOM 0 HA CYS A 91 1.889 -6.084 6.711 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.266 -5.457 4.340 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.094 -3.931 4.575 1.00 0.00 H new ATOM 0 HG CYS A 91 3.464 -7.027 4.236 1.00 0.00 H new ATOM 1407 N SER A 92 3.392 -4.786 8.182 1.00 0.00 N ATOM 1408 CA SER A 92 4.371 -4.080 9.002 1.00 0.00 C ATOM 1409 C SER A 92 5.359 -3.314 8.129 1.00 0.00 C ATOM 1410 O SER A 92 5.785 -2.211 8.474 1.00 0.00 O ATOM 1411 CB SER A 92 5.122 -5.066 9.898 1.00 0.00 C ATOM 1412 OG SER A 92 5.940 -4.384 10.834 1.00 0.00 O ATOM 0 H SER A 92 3.213 -5.747 8.472 1.00 0.00 H new ATOM 0 HA SER A 92 3.837 -3.365 9.628 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.408 -5.698 10.427 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.737 -5.724 9.284 1.00 0.00 H new ATOM 0 HG SER A 92 6.408 -5.036 11.396 1.00 0.00 H new ATOM 1418 N ARG A 93 5.721 -3.907 6.995 1.00 0.00 N ATOM 1419 CA ARG A 93 6.660 -3.282 6.072 1.00 0.00 C ATOM 1420 C ARG A 93 5.935 -2.351 5.105 1.00 0.00 C ATOM 1421 O ARG A 93 6.249 -2.307 3.916 1.00 0.00 O ATOM 1422 CB ARG A 93 7.427 -4.350 5.290 1.00 0.00 C ATOM 1423 CG ARG A 93 8.172 -5.335 6.175 1.00 0.00 C ATOM 1424 CD ARG A 93 8.742 -6.490 5.366 1.00 0.00 C ATOM 1425 NE ARG A 93 7.704 -7.423 4.937 1.00 0.00 N ATOM 1426 CZ ARG A 93 7.921 -8.716 4.722 1.00 0.00 C ATOM 1427 NH1 ARG A 93 9.133 -9.226 4.895 1.00 0.00 N ATOM 1428 NH2 ARG A 93 6.925 -9.501 4.334 1.00 0.00 N ATOM 0 H ARG A 93 5.378 -4.819 6.694 1.00 0.00 H new ATOM 0 HA ARG A 93 7.366 -2.692 6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.728 -4.898 4.659 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.139 -3.861 4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.980 -4.820 6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.497 -5.722 6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.261 -6.098 4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.482 -7.021 5.965 1.00 0.00 H new ATOM 0 HE ARG A 93 6.761 -7.062 4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.901 -8.625 5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.297 -10.219 4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.992 -9.112 4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.092 -10.494 4.169 1.00 0.00 H new ATOM 1442 N ALA A 94 4.962 -1.608 5.624 1.00 0.00 N ATOM 1443 CA ALA A 94 4.193 -0.677 4.808 1.00 0.00 C ATOM 1444 C ALA A 94 5.066 0.474 4.318 1.00 0.00 C ATOM 1445 O ALA A 94 4.955 0.902 3.170 1.00 0.00 O ATOM 1446 CB ALA A 94 3.005 -0.143 5.594 1.00 0.00 C ATOM 0 H ALA A 94 4.688 -1.633 6.606 1.00 0.00 H new ATOM 0 HA ALA A 94 3.824 -1.216 3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.440 0.551 4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.362 -0.972 5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.361 0.375 6.484 1.00 0.00 H new ATOM 1452 N GLU A 95 5.932 0.969 5.196 1.00 0.00 N ATOM 1453 CA GLU A 95 6.821 2.072 4.851 1.00 0.00 C ATOM 1454 C GLU A 95 7.595 1.767 3.572 1.00 0.00 C ATOM 1455 O GLU A 95 7.727 2.622 2.696 1.00 0.00 O ATOM 1456 CB GLU A 95 7.797 2.346 5.997 1.00 0.00 C ATOM 1457 CG GLU A 95 8.552 3.658 5.854 1.00 0.00 C ATOM 1458 CD GLU A 95 9.495 3.918 7.013 1.00 0.00 C ATOM 1459 OE1 GLU A 95 10.335 3.041 7.302 1.00 0.00 O ATOM 1460 OE2 GLU A 95 9.392 4.999 7.630 1.00 0.00 O ATOM 0 H GLU A 95 6.037 0.624 6.150 1.00 0.00 H new ATOM 0 HA GLU A 95 6.210 2.959 4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.246 2.354 6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.515 1.528 6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.120 3.646 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.838 4.478 5.781 1.00 0.00 H new ATOM 1467 N GLU A 96 8.104 0.543 3.473 1.00 0.00 N ATOM 1468 CA GLU A 96 8.866 0.126 2.301 1.00 0.00 C ATOM 1469 C GLU A 96 7.994 0.147 1.049 1.00 0.00 C ATOM 1470 O GLU A 96 8.365 0.732 0.031 1.00 0.00 O ATOM 1471 CB GLU A 96 9.441 -1.276 2.512 1.00 0.00 C ATOM 1472 CG GLU A 96 10.792 -1.281 3.207 1.00 0.00 C ATOM 1473 CD GLU A 96 11.944 -1.055 2.247 1.00 0.00 C ATOM 1474 OE1 GLU A 96 12.264 0.120 1.972 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.524 -2.053 1.771 1.00 0.00 O ATOM 0 H GLU A 96 8.003 -0.176 4.189 1.00 0.00 H new ATOM 0 HA GLU A 96 9.686 0.831 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.737 -1.864 3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.537 -1.769 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.805 -0.506 3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.931 -2.235 3.717 1.00 0.00 H new ATOM 1482 N ILE A 97 6.833 -0.495 1.133 1.00 0.00 N ATOM 1483 CA ILE A 97 5.908 -0.550 0.008 1.00 0.00 C ATOM 1484 C ILE A 97 5.518 0.851 -0.452 1.00 0.00 C ATOM 1485 O ILE A 97 5.468 1.131 -1.650 1.00 0.00 O ATOM 1486 CB ILE A 97 4.632 -1.334 0.366 1.00 0.00 C ATOM 1487 CG1 ILE A 97 4.990 -2.747 0.832 1.00 0.00 C ATOM 1488 CG2 ILE A 97 3.690 -1.386 -0.827 1.00 0.00 C ATOM 1489 CD1 ILE A 97 3.827 -3.493 1.448 1.00 0.00 C ATOM 0 H ILE A 97 6.511 -0.984 1.968 1.00 0.00 H new ATOM 0 HA ILE A 97 6.426 -1.065 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 97 4.124 -0.820 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.367 -3.316 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.799 -2.687 1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.793 -1.944 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.414 -0.372 -1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.187 -1.880 -1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.154 -4.487 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.463 -2.946 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.025 -3.585 0.716 1.00 0.00 H new ATOM 1501 N PHE A 98 5.245 1.728 0.508 1.00 0.00 N ATOM 1502 CA PHE A 98 4.861 3.101 0.202 1.00 0.00 C ATOM 1503 C PHE A 98 6.011 3.853 -0.462 1.00 0.00 C ATOM 1504 O PHE A 98 5.857 4.408 -1.549 1.00 0.00 O ATOM 1505 CB PHE A 98 4.430 3.829 1.477 1.00 0.00 C ATOM 1506 CG PHE A 98 4.215 5.302 1.283 1.00 0.00 C ATOM 1507 CD1 PHE A 98 5.286 6.181 1.310 1.00 0.00 C ATOM 1508 CD2 PHE A 98 2.943 5.809 1.073 1.00 0.00 C ATOM 1509 CE1 PHE A 98 5.092 7.538 1.132 1.00 0.00 C ATOM 1510 CE2 PHE A 98 2.742 7.165 0.895 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.818 8.030 0.923 1.00 0.00 C ATOM 0 H PHE A 98 5.283 1.513 1.504 1.00 0.00 H new ATOM 0 HA PHE A 98 4.021 3.070 -0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.508 3.381 1.847 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.188 3.679 2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.284 5.801 1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.098 5.137 1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.935 8.213 1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.745 7.547 0.734 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.664 9.090 0.782 1.00 0.00 H new ATOM 1521 N ASN A 99 7.162 3.866 0.201 1.00 0.00 N ATOM 1522 CA ASN A 99 8.339 4.550 -0.324 1.00 0.00 C ATOM 1523 C ASN A 99 8.676 4.054 -1.726 1.00 0.00 C ATOM 1524 O ASN A 99 8.938 4.848 -2.631 1.00 0.00 O ATOM 1525 CB ASN A 99 9.535 4.337 0.606 1.00 0.00 C ATOM 1526 CG ASN A 99 9.466 5.209 1.845 1.00 0.00 C ATOM 1527 OD1 ASN A 99 9.174 6.402 1.763 1.00 0.00 O ATOM 1528 ND2 ASN A 99 9.736 4.615 3.002 1.00 0.00 N ATOM 0 H ASN A 99 7.306 3.411 1.103 1.00 0.00 H new ATOM 0 HA ASN A 99 8.115 5.615 -0.379 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.578 3.289 0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.456 4.552 0.064 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.706 5.151 3.870 1.00 0.00 H new ATOM 0 HD22 ASN A 99 9.973 3.623 3.023 1.00 0.00 H new ATOM 1535 N LEU A 100 8.667 2.737 -1.900 1.00 0.00 N ATOM 1536 CA LEU A 100 8.971 2.134 -3.193 1.00 0.00 C ATOM 1537 C LEU A 100 7.927 2.523 -4.235 1.00 0.00 C ATOM 1538 O LEU A 100 8.266 2.936 -5.345 1.00 0.00 O ATOM 1539 CB LEU A 100 9.037 0.611 -3.065 1.00 0.00 C ATOM 1540 CG LEU A 100 9.108 -0.171 -4.377 1.00 0.00 C ATOM 1541 CD1 LEU A 100 10.325 0.251 -5.185 1.00 0.00 C ATOM 1542 CD2 LEU A 100 9.138 -1.668 -4.105 1.00 0.00 C ATOM 0 H LEU A 100 8.453 2.066 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 100 9.941 2.508 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.910 0.354 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.160 0.275 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 100 8.215 0.054 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.359 -0.316 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.260 1.315 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.230 0.057 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.189 -2.209 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.012 -1.911 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.235 -1.959 -3.569 1.00 0.00 H new ATOM 1554 N LEU A 101 6.657 2.391 -3.870 1.00 0.00 N ATOM 1555 CA LEU A 101 5.562 2.732 -4.772 1.00 0.00 C ATOM 1556 C LEU A 101 5.770 4.113 -5.383 1.00 0.00 C ATOM 1557 O LEU A 101 5.808 4.262 -6.604 1.00 0.00 O ATOM 1558 CB LEU A 101 4.228 2.687 -4.025 1.00 0.00 C ATOM 1559 CG LEU A 101 2.974 2.874 -4.880 1.00 0.00 C ATOM 1560 CD1 LEU A 101 2.628 1.585 -5.610 1.00 0.00 C ATOM 1561 CD2 LEU A 101 1.805 3.333 -4.020 1.00 0.00 C ATOM 0 H LEU A 101 6.360 2.050 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 101 5.545 1.998 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.154 1.728 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.238 3.460 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 101 3.176 3.645 -5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.733 1.737 -6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.457 1.299 -6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.445 0.793 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.921 3.461 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.602 2.585 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.053 4.282 -3.545 1.00 0.00 H new ATOM 1573 N GLN A 102 5.906 5.120 -4.526 1.00 0.00 N ATOM 1574 CA GLN A 102 6.112 6.489 -4.983 1.00 0.00 C ATOM 1575 C GLN A 102 7.428 6.618 -5.742 1.00 0.00 C ATOM 1576 O GLN A 102 7.572 7.476 -6.613 1.00 0.00 O ATOM 1577 CB GLN A 102 6.098 7.453 -3.795 1.00 0.00 C ATOM 1578 CG GLN A 102 7.170 7.157 -2.759 1.00 0.00 C ATOM 1579 CD GLN A 102 7.557 8.382 -1.953 1.00 0.00 C ATOM 1580 OE1 GLN A 102 6.707 9.031 -1.343 1.00 0.00 O ATOM 1581 NE2 GLN A 102 8.845 8.704 -1.946 1.00 0.00 N ATOM 0 H GLN A 102 5.877 5.013 -3.512 1.00 0.00 H new ATOM 0 HA GLN A 102 5.297 6.746 -5.660 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.230 8.471 -4.162 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.120 7.412 -3.316 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.812 6.380 -2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.054 6.762 -3.259 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.515 8.138 -2.466 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.164 9.518 -1.421 1.00 0.00 H new ATOM 1590 N ASP A 103 8.385 5.760 -5.406 1.00 0.00 N ATOM 1591 CA ASP A 103 9.690 5.777 -6.056 1.00 0.00 C ATOM 1592 C ASP A 103 9.578 5.333 -7.511 1.00 0.00 C ATOM 1593 O ASP A 103 10.245 5.878 -8.391 1.00 0.00 O ATOM 1594 CB ASP A 103 10.669 4.872 -5.307 1.00 0.00 C ATOM 1595 CG ASP A 103 11.424 5.610 -4.219 1.00 0.00 C ATOM 1596 OD1 ASP A 103 10.906 6.635 -3.728 1.00 0.00 O ATOM 1597 OD2 ASP A 103 12.532 5.162 -3.858 1.00 0.00 O ATOM 0 H ASP A 103 8.281 5.044 -4.687 1.00 0.00 H new ATOM 0 HA ASP A 103 10.065 6.800 -6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.123 4.039 -4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.381 4.447 -6.015 1.00 0.00 H new ATOM 1602 N LEU A 104 8.731 4.339 -7.757 1.00 0.00 N ATOM 1603 CA LEU A 104 8.532 3.820 -9.106 1.00 0.00 C ATOM 1604 C LEU A 104 7.843 4.854 -9.991 1.00 0.00 C ATOM 1605 O LEU A 104 8.235 5.062 -11.139 1.00 0.00 O ATOM 1606 CB LEU A 104 7.702 2.536 -9.062 1.00 0.00 C ATOM 1607 CG LEU A 104 8.279 1.393 -8.225 1.00 0.00 C ATOM 1608 CD1 LEU A 104 7.170 0.461 -7.759 1.00 0.00 C ATOM 1609 CD2 LEU A 104 9.325 0.625 -9.019 1.00 0.00 C ATOM 0 H LEU A 104 8.171 3.877 -7.040 1.00 0.00 H new ATOM 0 HA LEU A 104 9.511 3.599 -9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.713 2.780 -8.675 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.566 2.180 -10.083 1.00 0.00 H new ATOM 0 HG LEU A 104 8.761 1.820 -7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.599 -0.346 -7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.457 1.019 -7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.659 0.042 -8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.724 -0.184 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.868 0.210 -9.917 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.134 1.299 -9.302 1.00 0.00 H new ATOM 1621 N MET A 105 6.816 5.500 -9.448 1.00 0.00 N ATOM 1622 CA MET A 105 6.075 6.515 -10.188 1.00 0.00 C ATOM 1623 C MET A 105 7.011 7.602 -10.705 1.00 0.00 C ATOM 1624 O MET A 105 6.912 8.022 -11.858 1.00 0.00 O ATOM 1625 CB MET A 105 4.994 7.135 -9.301 1.00 0.00 C ATOM 1626 CG MET A 105 4.066 6.111 -8.668 1.00 0.00 C ATOM 1627 SD MET A 105 2.984 6.833 -7.419 1.00 0.00 S ATOM 1628 CE MET A 105 1.462 7.001 -8.347 1.00 0.00 C ATOM 0 H MET A 105 6.478 5.339 -8.499 1.00 0.00 H new ATOM 0 HA MET A 105 5.601 6.033 -11.043 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.472 7.716 -8.513 1.00 0.00 H new ATOM 0 HB3 MET A 105 4.402 7.831 -9.896 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.459 5.647 -9.445 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.661 5.319 -8.214 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.714 7.500 -7.731 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.646 7.592 -9.244 1.00 0.00 H new ATOM 0 HE3 MET A 105 1.098 6.014 -8.631 1.00 0.00 H new ATOM 1638 N GLN A 106 7.918 8.054 -9.845 1.00 0.00 N ATOM 1639 CA GLN A 106 8.871 9.094 -10.216 1.00 0.00 C ATOM 1640 C GLN A 106 9.981 8.527 -11.094 1.00 0.00 C ATOM 1641 O GLN A 106 10.250 9.041 -12.180 1.00 0.00 O ATOM 1642 CB GLN A 106 9.472 9.735 -8.964 1.00 0.00 C ATOM 1643 CG GLN A 106 10.182 8.745 -8.055 1.00 0.00 C ATOM 1644 CD GLN A 106 10.563 9.350 -6.718 1.00 0.00 C ATOM 1645 OE1 GLN A 106 9.779 9.331 -5.769 1.00 0.00 O ATOM 1646 NE2 GLN A 106 11.773 9.891 -6.636 1.00 0.00 N ATOM 0 H GLN A 106 8.013 7.717 -8.887 1.00 0.00 H new ATOM 0 HA GLN A 106 8.336 9.855 -10.784 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.177 10.509 -9.265 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.679 10.228 -8.402 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.536 7.883 -7.889 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.080 8.379 -8.553 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.391 9.885 -7.448 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.085 10.313 -5.761 1.00 0.00 H new ATOM 2022 N PHE A 136 -11.849 -5.911 0.679 1.00 0.00 N ATOM 2023 CA PHE A 136 -12.794 -5.103 1.442 1.00 0.00 C ATOM 2024 C PHE A 136 -12.679 -3.630 1.062 1.00 0.00 C ATOM 2025 O PHE A 136 -11.614 -3.026 1.189 1.00 0.00 O ATOM 2026 CB PHE A 136 -12.549 -5.275 2.942 1.00 0.00 C ATOM 2027 CG PHE A 136 -13.566 -4.575 3.799 1.00 0.00 C ATOM 2028 CD1 PHE A 136 -13.605 -3.192 3.861 1.00 0.00 C ATOM 2029 CD2 PHE A 136 -14.482 -5.302 4.543 1.00 0.00 C ATOM 2030 CE1 PHE A 136 -14.540 -2.545 4.648 1.00 0.00 C ATOM 2031 CE2 PHE A 136 -15.419 -4.661 5.331 1.00 0.00 C ATOM 2032 CZ PHE A 136 -15.447 -3.281 5.385 1.00 0.00 C ATOM 0 HA PHE A 136 -13.802 -5.444 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -12.552 -6.338 3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -11.557 -4.896 3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -12.897 -2.612 3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -14.463 -6.381 4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -14.561 -1.466 4.686 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -16.129 -5.239 5.904 1.00 0.00 H new ATOM 0 HZ PHE A 136 -16.177 -2.778 6.002 1.00 0.00 H new ATOM 2042 N ARG A 137 -13.784 -3.058 0.594 1.00 0.00 N ATOM 2043 CA ARG A 137 -13.807 -1.656 0.193 1.00 0.00 C ATOM 2044 C ARG A 137 -14.183 -0.761 1.370 1.00 0.00 C ATOM 2045 O ARG A 137 -15.220 -0.954 2.006 1.00 0.00 O ATOM 2046 CB ARG A 137 -14.797 -1.449 -0.955 1.00 0.00 C ATOM 2047 CG ARG A 137 -14.306 -1.993 -2.287 1.00 0.00 C ATOM 2048 CD ARG A 137 -15.466 -2.365 -3.198 1.00 0.00 C ATOM 2049 NE ARG A 137 -15.921 -3.735 -2.972 1.00 0.00 N ATOM 2050 CZ ARG A 137 -15.167 -4.806 -3.196 1.00 0.00 C ATOM 2051 NH1 ARG A 137 -13.929 -4.666 -3.649 1.00 0.00 N ATOM 2052 NH2 ARG A 137 -15.652 -6.019 -2.967 1.00 0.00 N ATOM 0 H ARG A 137 -14.674 -3.543 0.483 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.807 -1.383 -0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -15.741 -1.931 -0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -15.001 -0.383 -1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -13.681 -1.247 -2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.681 -2.869 -2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -16.294 -1.676 -3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -15.161 -2.251 -4.238 1.00 0.00 H new ATOM 0 HE ARG A 137 -16.869 -3.877 -2.623 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -13.553 -3.735 -3.826 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.352 -5.490 -3.820 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -16.604 -6.130 -2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -15.073 -6.841 -3.139 1.00 0.00 H new ATOM 2066 N LEU A 138 -13.333 0.220 1.655 1.00 0.00 N ATOM 2067 CA LEU A 138 -13.574 1.146 2.756 1.00 0.00 C ATOM 2068 C LEU A 138 -14.178 2.451 2.248 1.00 0.00 C ATOM 2069 O LEU A 138 -13.686 3.041 1.286 1.00 0.00 O ATOM 2070 CB LEU A 138 -12.271 1.431 3.504 1.00 0.00 C ATOM 2071 CG LEU A 138 -11.620 0.235 4.200 1.00 0.00 C ATOM 2072 CD1 LEU A 138 -10.236 0.603 4.712 1.00 0.00 C ATOM 2073 CD2 LEU A 138 -12.498 -0.261 5.340 1.00 0.00 C ATOM 0 H LEU A 138 -12.471 0.394 1.139 1.00 0.00 H new ATOM 0 HA LEU A 138 -14.284 0.681 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -11.554 1.849 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -12.466 2.199 4.252 1.00 0.00 H new ATOM 0 HG LEU A 138 -11.513 -0.570 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.789 -0.261 5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.608 0.909 3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.318 1.424 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -12.019 -1.112 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -12.637 0.539 6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -13.468 -0.566 4.946 1.00 0.00 H new ATOM 2085 N ARG A 139 -15.247 2.896 2.901 1.00 0.00 N ATOM 2086 CA ARG A 139 -15.917 4.132 2.515 1.00 0.00 C ATOM 2087 C ARG A 139 -14.961 5.318 2.597 1.00 0.00 C ATOM 2088 O ARG A 139 -14.880 6.129 1.674 1.00 0.00 O ATOM 2089 CB ARG A 139 -17.132 4.379 3.412 1.00 0.00 C ATOM 2090 CG ARG A 139 -18.399 3.699 2.923 1.00 0.00 C ATOM 2091 CD ARG A 139 -19.609 4.117 3.744 1.00 0.00 C ATOM 2092 NE ARG A 139 -20.668 3.111 3.710 1.00 0.00 N ATOM 2093 CZ ARG A 139 -21.905 3.332 4.140 1.00 0.00 C ATOM 2094 NH1 ARG A 139 -22.237 4.517 4.633 1.00 0.00 N ATOM 2095 NH2 ARG A 139 -22.813 2.366 4.077 1.00 0.00 N ATOM 0 H ARG A 139 -15.667 2.419 3.699 1.00 0.00 H new ATOM 0 HA ARG A 139 -16.251 4.028 1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -16.907 4.028 4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -17.309 5.452 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -18.566 3.948 1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -18.277 2.617 2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -19.305 4.288 4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -19.995 5.063 3.364 1.00 0.00 H new ATOM 0 HE ARG A 139 -20.445 2.189 3.336 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -21.542 5.262 4.683 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -23.188 4.684 4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -22.561 1.453 3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -23.763 2.537 4.407 1.00 0.00 H new ATOM 2109 N HIS A 140 -14.238 5.413 3.709 1.00 0.00 N ATOM 2110 CA HIS A 140 -13.287 6.500 3.912 1.00 0.00 C ATOM 2111 C HIS A 140 -11.856 5.972 3.932 1.00 0.00 C ATOM 2112 O HIS A 140 -11.629 4.762 3.952 1.00 0.00 O ATOM 2113 CB HIS A 140 -13.590 7.235 5.218 1.00 0.00 C ATOM 2114 CG HIS A 140 -14.760 8.166 5.124 1.00 0.00 C ATOM 2115 ND1 HIS A 140 -14.661 9.523 5.345 1.00 0.00 N ATOM 2116 CD2 HIS A 140 -16.059 7.928 4.828 1.00 0.00 C ATOM 2117 CE1 HIS A 140 -15.849 10.080 5.191 1.00 0.00 C ATOM 2118 NE2 HIS A 140 -16.715 9.134 4.877 1.00 0.00 N ATOM 0 H HIS A 140 -14.293 4.751 4.483 1.00 0.00 H new ATOM 0 HA HIS A 140 -13.387 7.197 3.080 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -13.781 6.502 6.002 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -12.709 7.801 5.519 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -16.498 6.969 4.596 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -16.074 11.130 5.303 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -17.709 9.276 4.700 1.00 0.00 H new ATOM 2127 N PHE A 141 -10.892 6.888 3.925 1.00 0.00 N ATOM 2128 CA PHE A 141 -9.483 6.515 3.940 1.00 0.00 C ATOM 2129 C PHE A 141 -8.994 6.297 5.369 1.00 0.00 C ATOM 2130 O PHE A 141 -9.059 7.186 6.217 1.00 0.00 O ATOM 2131 CB PHE A 141 -8.640 7.596 3.260 1.00 0.00 C ATOM 2132 CG PHE A 141 -7.307 7.101 2.776 1.00 0.00 C ATOM 2133 CD1 PHE A 141 -7.218 5.952 2.007 1.00 0.00 C ATOM 2134 CD2 PHE A 141 -6.144 7.785 3.090 1.00 0.00 C ATOM 2135 CE1 PHE A 141 -5.993 5.494 1.561 1.00 0.00 C ATOM 2136 CE2 PHE A 141 -4.915 7.332 2.646 1.00 0.00 C ATOM 2137 CZ PHE A 141 -4.840 6.185 1.880 1.00 0.00 C ATOM 0 H PHE A 141 -11.062 7.894 3.909 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.374 5.580 3.390 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -9.197 8.001 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.482 8.416 3.960 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -8.116 5.408 1.753 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.198 8.682 3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -5.937 4.596 0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.015 7.874 2.898 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.882 5.829 1.531 1.00 0.00 H new ATOM 2147 N PRO A 142 -8.492 5.083 5.643 1.00 0.00 N ATOM 2148 CA PRO A 142 -7.982 4.718 6.968 1.00 0.00 C ATOM 2149 C PRO A 142 -6.683 5.440 7.308 1.00 0.00 C ATOM 2150 O PRO A 142 -6.515 5.946 8.418 1.00 0.00 O ATOM 2151 CB PRO A 142 -7.741 3.211 6.852 1.00 0.00 C ATOM 2152 CG PRO A 142 -7.522 2.973 5.398 1.00 0.00 C ATOM 2153 CD PRO A 142 -8.383 3.974 4.680 1.00 0.00 C ATOM 0 HA PRO A 142 -8.676 4.993 7.762 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -6.876 2.902 7.438 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -8.595 2.644 7.222 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.472 3.102 5.135 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -7.796 1.954 5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -7.928 4.298 3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.360 3.559 4.432 1.00 0.00 H new ATOM 2161 N CYS A 143 -5.767 5.485 6.347 1.00 0.00 N ATOM 2162 CA CYS A 143 -4.482 6.146 6.545 1.00 0.00 C ATOM 2163 C CYS A 143 -4.634 7.662 6.483 1.00 0.00 C ATOM 2164 O CYS A 143 -5.690 8.175 6.116 1.00 0.00 O ATOM 2165 CB CYS A 143 -3.477 5.679 5.491 1.00 0.00 C ATOM 2166 SG CYS A 143 -3.047 3.926 5.606 1.00 0.00 S ATOM 0 H CYS A 143 -5.890 5.072 5.423 1.00 0.00 H new ATOM 0 HA CYS A 143 -4.112 5.877 7.534 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -3.887 5.877 4.501 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -2.567 6.272 5.584 1.00 0.00 H new ATOM 0 HG CYS A 143 -4.119 3.206 5.460 1.00 0.00 H new ATOM 2172 N GLY A 144 -3.572 8.374 6.847 1.00 0.00 N ATOM 2173 CA GLY A 144 -3.609 9.825 6.827 1.00 0.00 C ATOM 2174 C GLY A 144 -2.692 10.414 5.775 1.00 0.00 C ATOM 2175 O GLY A 144 -3.116 11.233 4.960 1.00 0.00 O ATOM 0 H GLY A 144 -2.687 7.972 7.155 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -4.630 10.157 6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -3.324 10.206 7.808 1.00 0.00 H new ATOM 2179 N ASN A 145 -1.430 9.998 5.792 1.00 0.00 N ATOM 2180 CA ASN A 145 -0.449 10.492 4.832 1.00 0.00 C ATOM 2181 C ASN A 145 -0.830 10.092 3.410 1.00 0.00 C ATOM 2182 O ASN A 145 -0.451 9.022 2.932 1.00 0.00 O ATOM 2183 CB ASN A 145 0.942 9.953 5.170 1.00 0.00 C ATOM 2184 CG ASN A 145 1.124 9.712 6.656 1.00 0.00 C ATOM 2185 OD1 ASN A 145 1.562 10.597 7.391 1.00 0.00 O ATOM 2186 ND2 ASN A 145 0.786 8.509 7.106 1.00 0.00 N ATOM 0 H ASN A 145 -1.062 9.320 6.460 1.00 0.00 H new ATOM 0 HA ASN A 145 -0.434 11.580 4.893 1.00 0.00 H new ATOM 0 HB2 ASN A 145 1.108 9.021 4.631 1.00 0.00 H new ATOM 0 HB3 ASN A 145 1.696 10.660 4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 145 0.885 8.289 8.097 1.00 0.00 H new ATOM 0 HD22 ASN A 145 0.427 7.805 6.461 1.00 0.00 H new ATOM 2193 N VAL A 146 -1.581 10.958 2.738 1.00 0.00 N ATOM 2194 CA VAL A 146 -2.012 10.696 1.370 1.00 0.00 C ATOM 2195 C VAL A 146 -1.097 11.386 0.364 1.00 0.00 C ATOM 2196 O VAL A 146 -0.747 12.554 0.527 1.00 0.00 O ATOM 2197 CB VAL A 146 -3.460 11.168 1.138 1.00 0.00 C ATOM 2198 CG1 VAL A 146 -3.839 11.028 -0.329 1.00 0.00 C ATOM 2199 CG2 VAL A 146 -4.422 10.389 2.022 1.00 0.00 C ATOM 0 H VAL A 146 -1.904 11.848 3.119 1.00 0.00 H new ATOM 0 HA VAL A 146 -1.961 9.617 1.223 1.00 0.00 H new ATOM 0 HB VAL A 146 -3.528 12.222 1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -4.865 11.366 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -3.168 11.634 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -3.756 9.983 -0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -5.440 10.735 1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -4.354 9.327 1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -4.162 10.546 3.069 1.00 0.00 H new ATOM 2209 N ASN A 147 -0.714 10.654 -0.677 1.00 0.00 N ATOM 2210 CA ASN A 147 0.161 11.195 -1.711 1.00 0.00 C ATOM 2211 C ASN A 147 -0.605 11.414 -3.012 1.00 0.00 C ATOM 2212 O ASN A 147 -1.763 11.017 -3.137 1.00 0.00 O ATOM 2213 CB ASN A 147 1.342 10.253 -1.953 1.00 0.00 C ATOM 2214 CG ASN A 147 2.502 10.526 -1.015 1.00 0.00 C ATOM 2215 OD1 ASN A 147 2.328 11.122 0.048 1.00 0.00 O ATOM 2216 ND2 ASN A 147 3.694 10.091 -1.406 1.00 0.00 N ATOM 0 H ASN A 147 -0.996 9.685 -0.827 1.00 0.00 H new ATOM 0 HA ASN A 147 0.538 12.158 -1.366 1.00 0.00 H new ATOM 0 HB2 ASN A 147 1.012 9.222 -1.828 1.00 0.00 H new ATOM 0 HB3 ASN A 147 1.680 10.356 -2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 147 4.512 10.246 -0.817 1.00 0.00 H new ATOM 0 HD22 ASN A 147 3.792 9.601 -2.295 1.00 0.00 H new ATOM 2223 N TYR A 148 0.051 12.047 -3.978 1.00 0.00 N ATOM 2224 CA TYR A 148 -0.568 12.321 -5.270 1.00 0.00 C ATOM 2225 C TYR A 148 0.303 11.807 -6.412 1.00 0.00 C ATOM 2226 O TYR A 148 1.358 12.368 -6.704 1.00 0.00 O ATOM 2227 CB TYR A 148 -0.810 13.822 -5.435 1.00 0.00 C ATOM 2228 CG TYR A 148 -1.587 14.439 -4.294 1.00 0.00 C ATOM 2229 CD1 TYR A 148 -2.775 13.873 -3.850 1.00 0.00 C ATOM 2230 CD2 TYR A 148 -1.132 15.589 -3.660 1.00 0.00 C ATOM 2231 CE1 TYR A 148 -3.489 14.434 -2.808 1.00 0.00 C ATOM 2232 CE2 TYR A 148 -1.838 16.156 -2.616 1.00 0.00 C ATOM 2233 CZ TYR A 148 -3.016 15.575 -2.195 1.00 0.00 C ATOM 2234 OH TYR A 148 -3.723 16.136 -1.156 1.00 0.00 O ATOM 0 H TYR A 148 1.011 12.380 -3.891 1.00 0.00 H new ATOM 0 HA TYR A 148 -1.524 11.799 -5.303 1.00 0.00 H new ATOM 0 HB2 TYR A 148 0.151 14.329 -5.525 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -1.350 13.994 -6.366 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -3.147 12.979 -4.327 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -0.211 16.047 -3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -4.412 13.981 -2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -1.470 17.049 -2.133 1.00 0.00 H new ATOM 0 HH TYR A 148 -3.254 16.934 -0.834 1.00 0.00 H new ATOM 2244 N GLY A 149 -0.147 10.733 -7.054 1.00 0.00 N ATOM 2245 CA GLY A 149 0.602 10.160 -8.157 1.00 0.00 C ATOM 2246 C GLY A 149 0.557 11.026 -9.400 1.00 0.00 C ATOM 2247 O GLY A 149 1.108 12.127 -9.418 1.00 0.00 O ATOM 0 H GLY A 149 -1.017 10.250 -6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 149 1.639 10.019 -7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 149 0.201 9.174 -8.391 1.00 0.00 H new