USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 813 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 30 SER OG : rot -14:sc= 0.743 USER MOD Set 1.2: A 72 SER OG : rot -86:sc= 1.33 USER MOD Set 2.1: A 13 THR OG1 : rot -18:sc= 1.02 USER MOD Set 2.2: A 16 THR OG1 : rot 180:sc= 0.843 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0336 X(o=-0.034,f=-0.41) USER MOD Single : A 22 ASN : amide:sc= -0.18 K(o=-0.18,f=-5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0.152 X(o=0.15,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 171:sc= 1.78 (180deg=1.42) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= 1.31 (180deg=1.13) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 120:sc=-0.00536 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc=-0.00723 K(o=-0.0072,f=-1.1) USER MOD Single : A 69 THR OG1 : rot -40:sc= 0.267 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.026 USER MOD Single : A 75 CYS SG : rot 180:sc= -1.09 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.651 X(o=-0.65,f=-1) USER MOD Single : A 86 CYS SG : rot -167:sc= 0.673 USER MOD Single : A 87 THR OG1 : rot 124:sc= 0.175 USER MOD Single : A 97 GLN : amide:sc= -0.0644 X(o=-0.064,f=-0.42) USER MOD Single : A 105 THR OG1 : rot 77:sc= -0.402 USER MOD ----------------------------------------------------------------- ATOM 152 N THR A 13 13.064 4.229 4.321 1.00 0.00 N ATOM 153 CA THR A 13 13.570 2.882 4.216 1.00 0.00 C ATOM 154 C THR A 13 12.380 1.943 4.017 1.00 0.00 C ATOM 155 O THR A 13 11.251 2.260 4.417 1.00 0.00 O ATOM 156 CB THR A 13 14.406 2.500 5.454 1.00 0.00 C ATOM 157 OG1 THR A 13 13.691 2.667 6.666 1.00 0.00 O ATOM 158 CG2 THR A 13 15.688 3.323 5.528 1.00 0.00 C ATOM 0 HA THR A 13 14.242 2.800 3.362 1.00 0.00 H new ATOM 0 HB THR A 13 14.647 1.443 5.336 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.922 3.255 6.514 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.257 3.032 6.411 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.287 3.144 4.635 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.437 4.382 5.591 1.00 0.00 H new ATOM 166 N PRO A 14 12.611 0.756 3.454 1.00 0.00 N ATOM 167 CA PRO A 14 11.594 -0.275 3.341 1.00 0.00 C ATOM 168 C PRO A 14 11.129 -0.725 4.734 1.00 0.00 C ATOM 169 O PRO A 14 9.981 -1.128 4.903 1.00 0.00 O ATOM 170 CB PRO A 14 12.212 -1.385 2.481 1.00 0.00 C ATOM 171 CG PRO A 14 13.705 -1.059 2.383 1.00 0.00 C ATOM 172 CD PRO A 14 13.847 0.399 2.803 1.00 0.00 C ATOM 0 HA PRO A 14 10.682 0.075 2.858 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.055 -2.364 2.935 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.753 -1.415 1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.290 -1.710 3.032 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.071 -1.210 1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.693 0.528 3.478 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.029 1.037 1.938 1.00 0.00 H new ATOM 180 N SER A 15 11.971 -0.553 5.757 1.00 0.00 N ATOM 181 CA SER A 15 11.658 -0.806 7.155 1.00 0.00 C ATOM 182 C SER A 15 11.118 0.429 7.895 1.00 0.00 C ATOM 183 O SER A 15 11.107 0.432 9.130 1.00 0.00 O ATOM 184 CB SER A 15 12.921 -1.339 7.845 1.00 0.00 C ATOM 185 OG SER A 15 13.575 -2.314 7.051 1.00 0.00 O ATOM 0 H SER A 15 12.926 -0.220 5.622 1.00 0.00 H new ATOM 0 HA SER A 15 10.855 -1.542 7.190 1.00 0.00 H new ATOM 0 HB2 SER A 15 13.604 -0.513 8.044 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.655 -1.772 8.809 1.00 0.00 H new ATOM 0 HG SER A 15 14.376 -2.632 7.517 1.00 0.00 H new ATOM 191 N THR A 16 10.736 1.515 7.217 1.00 0.00 N ATOM 192 CA THR A 16 9.909 2.543 7.851 1.00 0.00 C ATOM 193 C THR A 16 8.464 2.014 7.887 1.00 0.00 C ATOM 194 O THR A 16 8.091 1.195 7.053 1.00 0.00 O ATOM 195 CB THR A 16 10.032 3.864 7.070 1.00 0.00 C ATOM 196 OG1 THR A 16 11.391 4.226 6.905 1.00 0.00 O ATOM 197 CG2 THR A 16 9.379 5.034 7.807 1.00 0.00 C ATOM 0 H THR A 16 10.982 1.703 6.245 1.00 0.00 H new ATOM 0 HA THR A 16 10.236 2.752 8.870 1.00 0.00 H new ATOM 0 HB THR A 16 9.537 3.686 6.115 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.447 5.067 6.405 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.491 5.944 7.217 1.00 0.00 H new ATOM 0 HG22 THR A 16 8.319 4.825 7.954 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.860 5.168 8.776 1.00 0.00 H new ATOM 205 N TYR A 17 7.637 2.467 8.824 1.00 0.00 N ATOM 206 CA TYR A 17 6.198 2.223 8.846 1.00 0.00 C ATOM 207 C TYR A 17 5.466 3.180 7.904 1.00 0.00 C ATOM 208 O TYR A 17 5.941 4.281 7.644 1.00 0.00 O ATOM 209 CB TYR A 17 5.687 2.483 10.263 1.00 0.00 C ATOM 210 CG TYR A 17 5.626 1.293 11.192 1.00 0.00 C ATOM 211 CD1 TYR A 17 4.870 0.169 10.826 1.00 0.00 C ATOM 212 CD2 TYR A 17 6.253 1.337 12.449 1.00 0.00 C ATOM 213 CE1 TYR A 17 4.721 -0.911 11.704 1.00 0.00 C ATOM 214 CE2 TYR A 17 6.091 0.269 13.354 1.00 0.00 C ATOM 215 CZ TYR A 17 5.320 -0.857 12.978 1.00 0.00 C ATOM 216 OH TYR A 17 5.166 -1.911 13.808 1.00 0.00 O ATOM 0 H TYR A 17 7.958 3.030 9.612 1.00 0.00 H new ATOM 0 HA TYR A 17 6.014 1.196 8.530 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.324 3.240 10.721 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.687 2.910 10.191 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.397 0.137 9.855 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.859 2.189 12.721 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.151 -1.779 11.407 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.553 0.309 14.329 1.00 0.00 H new ATOM 0 HH TYR A 17 5.634 -1.735 14.651 1.00 0.00 H new ATOM 226 N ILE A 18 4.253 2.806 7.500 1.00 0.00 N ATOM 227 CA ILE A 18 3.315 3.655 6.766 1.00 0.00 C ATOM 228 C ILE A 18 2.910 4.834 7.659 1.00 0.00 C ATOM 229 O ILE A 18 3.007 5.987 7.262 1.00 0.00 O ATOM 230 CB ILE A 18 2.039 2.855 6.387 1.00 0.00 C ATOM 231 CG1 ILE A 18 2.235 1.373 6.009 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.329 3.571 5.237 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.809 1.186 4.613 1.00 0.00 C ATOM 0 H ILE A 18 3.884 1.873 7.680 1.00 0.00 H new ATOM 0 HA ILE A 18 3.797 4.009 5.855 1.00 0.00 H new ATOM 0 HB ILE A 18 1.449 2.828 7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.899 0.904 6.735 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.277 0.858 6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.431 3.017 4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.053 4.578 5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.996 3.629 4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.923 0.122 4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.134 1.628 3.880 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.782 1.674 4.551 1.00 0.00 H new ATOM 245 N ARG A 19 2.477 4.561 8.896 1.00 0.00 N ATOM 246 CA ARG A 19 1.951 5.582 9.805 1.00 0.00 C ATOM 247 C ARG A 19 3.003 6.605 10.226 1.00 0.00 C ATOM 248 O ARG A 19 2.687 7.660 10.765 1.00 0.00 O ATOM 249 CB ARG A 19 1.303 4.897 11.010 1.00 0.00 C ATOM 250 CG ARG A 19 2.324 4.288 11.985 1.00 0.00 C ATOM 251 CD ARG A 19 2.678 5.237 13.131 1.00 0.00 C ATOM 252 NE ARG A 19 3.181 4.513 14.306 1.00 0.00 N ATOM 253 CZ ARG A 19 3.388 5.095 15.490 1.00 0.00 C ATOM 254 NH1 ARG A 19 3.418 6.419 15.594 1.00 0.00 N ATOM 255 NH2 ARG A 19 3.557 4.343 16.567 1.00 0.00 N ATOM 0 H ARG A 19 2.482 3.622 9.294 1.00 0.00 H new ATOM 0 HA ARG A 19 1.195 6.156 9.269 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.689 5.622 11.544 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.635 4.111 10.657 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.922 3.362 12.396 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.231 4.027 11.440 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.431 5.949 12.793 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.796 5.814 13.410 1.00 0.00 H new ATOM 0 HE ARG A 19 3.382 3.517 14.213 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.282 6.999 14.766 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.577 6.856 16.502 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.529 3.326 16.489 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.716 4.780 17.475 1.00 0.00 H new ATOM 269 N ASN A 20 4.279 6.275 10.038 1.00 0.00 N ATOM 270 CA ASN A 20 5.355 7.244 10.215 1.00 0.00 C ATOM 271 C ASN A 20 5.304 8.362 9.168 1.00 0.00 C ATOM 272 O ASN A 20 5.857 9.442 9.398 1.00 0.00 O ATOM 273 CB ASN A 20 6.740 6.574 10.141 1.00 0.00 C ATOM 274 CG ASN A 20 7.658 7.017 11.273 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.531 8.090 11.855 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.549 6.139 11.684 1.00 0.00 N ATOM 0 H ASN A 20 4.592 5.344 9.763 1.00 0.00 H new ATOM 0 HA ASN A 20 5.206 7.674 11.206 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.620 5.491 10.176 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.206 6.812 9.185 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.138 6.349 12.490 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.650 5.249 11.197 1.00 0.00 H new ATOM 283 N LEU A 21 4.733 8.092 7.992 1.00 0.00 N ATOM 284 CA LEU A 21 4.873 8.936 6.814 1.00 0.00 C ATOM 285 C LEU A 21 3.956 10.144 6.959 1.00 0.00 C ATOM 286 O LEU A 21 2.848 10.024 7.480 1.00 0.00 O ATOM 287 CB LEU A 21 4.581 8.148 5.519 1.00 0.00 C ATOM 288 CG LEU A 21 5.433 6.875 5.256 1.00 0.00 C ATOM 289 CD1 LEU A 21 5.666 6.717 3.755 1.00 0.00 C ATOM 290 CD2 LEU A 21 6.819 6.928 5.918 1.00 0.00 C ATOM 0 H LEU A 21 4.153 7.268 7.834 1.00 0.00 H new ATOM 0 HA LEU A 21 5.904 9.281 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.531 7.856 5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.714 8.824 4.675 1.00 0.00 H new ATOM 0 HG LEU A 21 4.871 6.043 5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.264 5.824 3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.707 6.623 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.194 7.591 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.363 6.010 5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.375 7.782 5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.703 7.030 6.997 1.00 0.00 H new ATOM 302 N ASN A 22 4.409 11.320 6.519 1.00 0.00 N ATOM 303 CA ASN A 22 3.698 12.573 6.787 1.00 0.00 C ATOM 304 C ASN A 22 2.381 12.590 6.001 1.00 0.00 C ATOM 305 O ASN A 22 2.326 12.017 4.912 1.00 0.00 O ATOM 306 CB ASN A 22 4.592 13.749 6.353 1.00 0.00 C ATOM 307 CG ASN A 22 4.311 15.049 7.085 1.00 0.00 C ATOM 308 OD1 ASN A 22 3.162 15.440 7.250 1.00 0.00 O ATOM 309 ND2 ASN A 22 5.318 15.795 7.492 1.00 0.00 N ATOM 0 H ASN A 22 5.265 11.431 5.975 1.00 0.00 H new ATOM 0 HA ASN A 22 3.473 12.660 7.850 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.635 13.475 6.510 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.463 13.913 5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.139 16.693 7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.277 15.475 7.357 1.00 0.00 H new ATOM 316 N VAL A 23 1.363 13.336 6.445 1.00 0.00 N ATOM 317 CA VAL A 23 0.147 13.606 5.680 1.00 0.00 C ATOM 318 C VAL A 23 0.465 14.173 4.293 1.00 0.00 C ATOM 319 O VAL A 23 -0.277 13.924 3.347 1.00 0.00 O ATOM 320 CB VAL A 23 -0.759 14.546 6.497 1.00 0.00 C ATOM 321 CG1 VAL A 23 -0.208 15.979 6.575 1.00 0.00 C ATOM 322 CG2 VAL A 23 -2.186 14.570 5.948 1.00 0.00 C ATOM 0 H VAL A 23 1.365 13.776 7.365 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.384 12.670 5.506 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.775 14.139 7.508 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.886 16.598 7.162 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.774 15.966 7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.120 16.390 5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.796 15.244 6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.173 14.918 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.608 13.566 5.988 1.00 0.00 H new ATOM 332 N GLY A 24 1.581 14.895 4.148 1.00 0.00 N ATOM 333 CA GLY A 24 2.046 15.355 2.857 1.00 0.00 C ATOM 334 C GLY A 24 2.310 14.173 1.945 1.00 0.00 C ATOM 335 O GLY A 24 1.709 14.096 0.878 1.00 0.00 O ATOM 0 H GLY A 24 2.179 15.171 4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.302 16.012 2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.957 15.941 2.978 1.00 0.00 H new ATOM 339 N ILE A 25 3.173 13.250 2.371 1.00 0.00 N ATOM 340 CA ILE A 25 3.552 12.060 1.618 1.00 0.00 C ATOM 341 C ILE A 25 2.335 11.147 1.429 1.00 0.00 C ATOM 342 O ILE A 25 2.216 10.508 0.389 1.00 0.00 O ATOM 343 CB ILE A 25 4.726 11.340 2.302 1.00 0.00 C ATOM 344 CG1 ILE A 25 5.867 12.310 2.662 1.00 0.00 C ATOM 345 CG2 ILE A 25 5.300 10.228 1.406 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.314 13.307 1.586 1.00 0.00 C ATOM 0 H ILE A 25 3.639 13.314 3.276 1.00 0.00 H new ATOM 0 HA ILE A 25 3.896 12.353 0.626 1.00 0.00 H new ATOM 0 HB ILE A 25 4.322 10.907 3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.561 12.878 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.734 11.717 2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.128 9.739 1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.522 9.495 1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.657 10.661 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.122 13.926 1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.665 12.763 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.473 13.942 1.307 1.00 0.00 H new ATOM 358 N LEU A 26 1.424 11.066 2.407 1.00 0.00 N ATOM 359 CA LEU A 26 0.124 10.405 2.263 1.00 0.00 C ATOM 360 C LEU A 26 -0.630 11.025 1.088 1.00 0.00 C ATOM 361 O LEU A 26 -1.064 10.295 0.200 1.00 0.00 O ATOM 362 CB LEU A 26 -0.720 10.487 3.554 1.00 0.00 C ATOM 363 CG LEU A 26 -0.314 9.551 4.712 1.00 0.00 C ATOM 364 CD1 LEU A 26 -1.253 9.751 5.910 1.00 0.00 C ATOM 365 CD2 LEU A 26 -0.394 8.070 4.329 1.00 0.00 C ATOM 0 H LEU A 26 1.573 11.464 3.334 1.00 0.00 H new ATOM 0 HA LEU A 26 0.302 9.347 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.684 11.514 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.758 10.277 3.295 1.00 0.00 H new ATOM 0 HG LEU A 26 0.717 9.807 4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.956 9.085 6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.194 10.785 6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.277 9.525 5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.098 7.457 5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.416 7.823 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.275 7.874 3.491 1.00 0.00 H new ATOM 377 N ARG A 27 -0.785 12.350 1.043 1.00 0.00 N ATOM 378 CA ARG A 27 -1.463 12.997 -0.075 1.00 0.00 C ATOM 379 C ARG A 27 -0.732 12.729 -1.389 1.00 0.00 C ATOM 380 O ARG A 27 -1.391 12.354 -2.352 1.00 0.00 O ATOM 381 CB ARG A 27 -1.712 14.489 0.197 1.00 0.00 C ATOM 382 CG ARG A 27 -2.945 14.680 1.109 1.00 0.00 C ATOM 383 CD ARG A 27 -4.054 15.536 0.467 1.00 0.00 C ATOM 384 NE ARG A 27 -5.402 14.996 0.728 1.00 0.00 N ATOM 385 CZ ARG A 27 -6.105 14.178 -0.073 1.00 0.00 C ATOM 386 NH1 ARG A 27 -5.623 13.729 -1.228 1.00 0.00 N ATOM 387 NH2 ARG A 27 -7.327 13.798 0.269 1.00 0.00 N ATOM 0 H ARG A 27 -0.452 12.990 1.764 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.452 12.552 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.833 14.929 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.866 15.015 -0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.353 13.702 1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.629 15.148 2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.992 16.554 0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.890 15.591 -0.609 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.845 15.271 1.605 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.689 14.005 -1.533 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.187 13.109 -1.809 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.737 14.127 1.143 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.858 13.177 -0.342 1.00 0.00 H new ATOM 401 N LYS A 28 0.599 12.825 -1.435 1.00 0.00 N ATOM 402 CA LYS A 28 1.364 12.514 -2.648 1.00 0.00 C ATOM 403 C LYS A 28 1.107 11.087 -3.117 1.00 0.00 C ATOM 404 O LYS A 28 0.901 10.861 -4.298 1.00 0.00 O ATOM 405 CB LYS A 28 2.861 12.724 -2.435 1.00 0.00 C ATOM 406 CG LYS A 28 3.209 14.143 -1.978 1.00 0.00 C ATOM 407 CD LYS A 28 4.549 14.614 -2.541 1.00 0.00 C ATOM 408 CE LYS A 28 4.289 15.471 -3.787 1.00 0.00 C ATOM 409 NZ LYS A 28 5.512 16.073 -4.352 1.00 0.00 N ATOM 0 H LYS A 28 1.172 13.117 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 28 1.023 13.203 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.220 12.011 -1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.388 12.508 -3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.422 14.828 -2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.242 14.175 -0.889 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.091 15.192 -1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.173 13.758 -2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.811 14.855 -4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.587 16.265 -3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.266 16.638 -5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.958 16.686 -3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.175 15.320 -4.625 1.00 0.00 H new ATOM 423 N LEU A 29 1.100 10.116 -2.208 1.00 0.00 N ATOM 424 CA LEU A 29 0.630 8.767 -2.503 1.00 0.00 C ATOM 425 C LEU A 29 -0.754 8.784 -3.144 1.00 0.00 C ATOM 426 O LEU A 29 -0.919 8.227 -4.226 1.00 0.00 O ATOM 427 CB LEU A 29 0.653 7.908 -1.228 1.00 0.00 C ATOM 428 CG LEU A 29 1.861 6.969 -1.145 1.00 0.00 C ATOM 429 CD1 LEU A 29 1.600 5.728 -1.993 1.00 0.00 C ATOM 430 CD2 LEU A 29 3.194 7.608 -1.546 1.00 0.00 C ATOM 0 H LEU A 29 1.420 10.242 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 29 1.308 8.319 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.652 8.564 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.261 7.316 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 29 1.969 6.708 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.459 5.060 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.714 5.213 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.440 6.023 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.992 6.871 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.135 7.956 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.405 8.452 -0.890 1.00 0.00 H new ATOM 442 N SER A 30 -1.744 9.419 -2.515 1.00 0.00 N ATOM 443 CA SER A 30 -3.092 9.448 -3.067 1.00 0.00 C ATOM 444 C SER A 30 -3.149 10.125 -4.442 1.00 0.00 C ATOM 445 O SER A 30 -4.004 9.759 -5.242 1.00 0.00 O ATOM 446 CB SER A 30 -4.074 10.056 -2.068 1.00 0.00 C ATOM 447 OG SER A 30 -3.778 11.389 -1.721 1.00 0.00 O ATOM 0 H SER A 30 -1.636 9.915 -1.630 1.00 0.00 H new ATOM 0 HA SER A 30 -3.400 8.417 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.079 10.014 -2.489 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.081 9.448 -1.164 1.00 0.00 H new ATOM 0 HG SER A 30 -2.868 11.608 -2.012 1.00 0.00 H new ATOM 453 N ASP A 31 -2.212 11.020 -4.779 1.00 0.00 N ATOM 454 CA ASP A 31 -2.128 11.630 -6.109 1.00 0.00 C ATOM 455 C ASP A 31 -2.012 10.543 -7.188 1.00 0.00 C ATOM 456 O ASP A 31 -2.440 10.762 -8.322 1.00 0.00 O ATOM 457 CB ASP A 31 -0.932 12.600 -6.251 1.00 0.00 C ATOM 458 CG ASP A 31 -0.903 13.821 -5.332 1.00 0.00 C ATOM 459 OD1 ASP A 31 -1.900 14.132 -4.641 1.00 0.00 O ATOM 460 OD2 ASP A 31 0.142 14.515 -5.319 1.00 0.00 O ATOM 0 H ASP A 31 -1.490 11.341 -4.134 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.045 12.205 -6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.016 12.032 -6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.906 12.954 -7.282 1.00 0.00 H new ATOM 465 N PHE A 32 -1.465 9.368 -6.857 1.00 0.00 N ATOM 466 CA PHE A 32 -1.296 8.240 -7.768 1.00 0.00 C ATOM 467 C PHE A 32 -2.269 7.089 -7.483 1.00 0.00 C ATOM 468 O PHE A 32 -2.564 6.313 -8.394 1.00 0.00 O ATOM 469 CB PHE A 32 0.157 7.748 -7.677 1.00 0.00 C ATOM 470 CG PHE A 32 1.194 8.841 -7.875 1.00 0.00 C ATOM 471 CD1 PHE A 32 1.236 9.530 -9.099 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.064 9.224 -6.832 1.00 0.00 C ATOM 473 CE1 PHE A 32 2.090 10.629 -9.271 1.00 0.00 C ATOM 474 CE2 PHE A 32 2.926 10.324 -7.008 1.00 0.00 C ATOM 475 CZ PHE A 32 2.925 11.039 -8.219 1.00 0.00 C ATOM 0 H PHE A 32 -1.118 9.174 -5.918 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.523 8.586 -8.777 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.313 7.286 -6.702 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.315 6.972 -8.426 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.605 9.210 -9.915 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.069 8.675 -5.902 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.105 11.160 -10.212 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.591 10.620 -6.210 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.565 11.901 -8.340 1.00 0.00 H new ATOM 485 N ILE A 33 -2.719 6.950 -6.232 1.00 0.00 N ATOM 486 CA ILE A 33 -3.449 5.785 -5.730 1.00 0.00 C ATOM 487 C ILE A 33 -4.971 6.007 -5.645 1.00 0.00 C ATOM 488 O ILE A 33 -5.721 5.031 -5.720 1.00 0.00 O ATOM 489 CB ILE A 33 -2.845 5.386 -4.367 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.327 5.078 -4.401 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.537 4.168 -3.765 1.00 0.00 C ATOM 492 CD1 ILE A 33 -0.939 3.741 -5.044 1.00 0.00 C ATOM 0 H ILE A 33 -2.580 7.668 -5.520 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.332 4.969 -6.443 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.007 6.273 -3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.823 5.880 -4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.948 5.093 -3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.078 3.925 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.594 4.387 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.434 3.320 -4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.144 3.625 -5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.406 2.924 -4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.279 3.723 -6.079 1.00 0.00 H new ATOM 504 N ASP A 34 -5.441 7.253 -5.475 1.00 0.00 N ATOM 505 CA ASP A 34 -6.860 7.584 -5.654 1.00 0.00 C ATOM 506 C ASP A 34 -7.282 7.225 -7.081 1.00 0.00 C ATOM 507 O ASP A 34 -8.192 6.405 -7.233 1.00 0.00 O ATOM 508 CB ASP A 34 -7.214 9.056 -5.334 1.00 0.00 C ATOM 509 CG ASP A 34 -7.830 9.290 -3.958 1.00 0.00 C ATOM 510 OD1 ASP A 34 -8.930 8.758 -3.692 1.00 0.00 O ATOM 511 OD2 ASP A 34 -7.272 10.055 -3.141 1.00 0.00 O ATOM 0 H ASP A 34 -4.857 8.047 -5.214 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.417 6.992 -4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.309 9.657 -5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.908 9.419 -6.092 1.00 0.00 H new ATOM 516 N PRO A 35 -6.638 7.771 -8.137 1.00 0.00 N ATOM 517 CA PRO A 35 -6.970 7.362 -9.487 1.00 0.00 C ATOM 518 C PRO A 35 -6.540 5.911 -9.691 1.00 0.00 C ATOM 519 O PRO A 35 -5.775 5.341 -8.908 1.00 0.00 O ATOM 520 CB PRO A 35 -6.219 8.324 -10.407 1.00 0.00 C ATOM 521 CG PRO A 35 -4.972 8.662 -9.606 1.00 0.00 C ATOM 522 CD PRO A 35 -5.495 8.684 -8.172 1.00 0.00 C ATOM 0 HA PRO A 35 -8.039 7.403 -9.696 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.972 7.859 -11.361 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.809 9.213 -10.629 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.189 7.916 -9.741 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.550 9.623 -9.899 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.722 8.367 -7.472 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.793 9.692 -7.882 1.00 0.00 H new ATOM 530 N GLN A 36 -7.017 5.306 -10.779 1.00 0.00 N ATOM 531 CA GLN A 36 -6.684 3.939 -11.170 1.00 0.00 C ATOM 532 C GLN A 36 -7.228 2.907 -10.166 1.00 0.00 C ATOM 533 O GLN A 36 -7.052 1.707 -10.393 1.00 0.00 O ATOM 534 CB GLN A 36 -5.166 3.791 -11.431 1.00 0.00 C ATOM 535 CG GLN A 36 -4.580 4.918 -12.309 1.00 0.00 C ATOM 536 CD GLN A 36 -3.059 4.896 -12.332 1.00 0.00 C ATOM 537 OE1 GLN A 36 -2.449 4.594 -13.356 1.00 0.00 O ATOM 538 NE2 GLN A 36 -2.400 5.237 -11.232 1.00 0.00 N ATOM 0 H GLN A 36 -7.659 5.764 -11.426 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.186 3.726 -12.114 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.641 3.775 -10.476 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.980 2.831 -11.913 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.959 4.818 -13.326 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.922 5.883 -11.935 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.913 5.486 -10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.380 5.250 -11.232 1.00 0.00 H new ATOM 547 N GLU A 37 -7.936 3.337 -9.107 1.00 0.00 N ATOM 548 CA GLU A 37 -8.360 2.528 -7.970 1.00 0.00 C ATOM 549 C GLU A 37 -7.165 1.794 -7.349 1.00 0.00 C ATOM 550 O GLU A 37 -7.288 0.656 -6.885 1.00 0.00 O ATOM 551 CB GLU A 37 -9.534 1.621 -8.383 1.00 0.00 C ATOM 552 CG GLU A 37 -10.845 2.403 -8.497 1.00 0.00 C ATOM 553 CD GLU A 37 -11.911 1.623 -9.264 1.00 0.00 C ATOM 554 OE1 GLU A 37 -12.171 0.434 -8.955 1.00 0.00 O ATOM 555 OE2 GLU A 37 -12.522 2.213 -10.179 1.00 0.00 O ATOM 0 H GLU A 37 -8.239 4.308 -9.025 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.742 3.165 -7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.309 1.148 -9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.650 0.822 -7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.215 2.638 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.659 3.352 -8.999 1.00 0.00 H new ATOM 562 N GLY A 38 -6.002 2.456 -7.317 1.00 0.00 N ATOM 563 CA GLY A 38 -4.780 1.923 -6.732 1.00 0.00 C ATOM 564 C GLY A 38 -5.017 1.398 -5.316 1.00 0.00 C ATOM 565 O GLY A 38 -4.499 0.342 -4.962 1.00 0.00 O ATOM 0 H GLY A 38 -5.889 3.392 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.396 1.119 -7.359 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.017 2.701 -6.709 1.00 0.00 H new ATOM 569 N TRP A 39 -5.818 2.092 -4.503 1.00 0.00 N ATOM 570 CA TRP A 39 -6.122 1.670 -3.147 1.00 0.00 C ATOM 571 C TRP A 39 -6.883 0.349 -3.137 1.00 0.00 C ATOM 572 O TRP A 39 -6.581 -0.537 -2.339 1.00 0.00 O ATOM 573 CB TRP A 39 -6.929 2.754 -2.437 1.00 0.00 C ATOM 574 CG TRP A 39 -8.282 3.034 -3.011 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.577 3.892 -4.013 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.542 2.418 -2.626 1.00 0.00 C ATOM 577 NE1 TRP A 39 -9.941 3.903 -4.221 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.590 3.009 -3.386 1.00 0.00 C ATOM 579 CE3 TRP A 39 -9.891 1.392 -1.723 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -11.929 2.640 -3.184 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.229 1.023 -1.514 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.250 1.678 -2.212 1.00 0.00 C ATOM 0 H TRP A 39 -6.272 2.964 -4.774 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.182 1.516 -2.617 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.050 2.466 -1.393 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.351 3.678 -2.448 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.857 4.478 -4.565 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.412 4.496 -4.904 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.111 0.879 -1.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.711 3.095 -3.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.470 0.235 -0.816 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.284 1.444 -2.004 1.00 0.00 H new ATOM 593 N LYS A 40 -7.861 0.193 -4.034 1.00 0.00 N ATOM 594 CA LYS A 40 -8.662 -1.019 -4.150 1.00 0.00 C ATOM 595 C LYS A 40 -7.780 -2.184 -4.549 1.00 0.00 C ATOM 596 O LYS A 40 -8.048 -3.304 -4.114 1.00 0.00 O ATOM 597 CB LYS A 40 -9.802 -0.813 -5.168 1.00 0.00 C ATOM 598 CG LYS A 40 -11.151 -0.799 -4.453 1.00 0.00 C ATOM 599 CD LYS A 40 -12.379 -0.721 -5.355 1.00 0.00 C ATOM 600 CE LYS A 40 -12.649 0.696 -5.859 1.00 0.00 C ATOM 601 NZ LYS A 40 -13.817 0.721 -6.758 1.00 0.00 N ATOM 0 H LYS A 40 -8.118 0.916 -4.706 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.112 -1.244 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.656 0.125 -5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.784 -1.610 -5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.228 -1.700 -3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.170 0.050 -3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.242 -1.386 -6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.251 -1.080 -4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.822 1.360 -5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.772 1.072 -6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.074 1.707 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.583 0.230 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.619 0.244 -6.299 1.00 0.00 H new ATOM 615 N LYS A 41 -6.758 -1.924 -5.361 1.00 0.00 N ATOM 616 CA LYS A 41 -5.797 -2.912 -5.819 1.00 0.00 C ATOM 617 C LYS A 41 -4.873 -3.294 -4.667 1.00 0.00 C ATOM 618 O LYS A 41 -4.658 -4.482 -4.434 1.00 0.00 O ATOM 619 CB LYS A 41 -5.055 -2.340 -7.023 1.00 0.00 C ATOM 620 CG LYS A 41 -5.938 -2.379 -8.271 1.00 0.00 C ATOM 621 CD LYS A 41 -5.460 -1.317 -9.259 1.00 0.00 C ATOM 622 CE LYS A 41 -6.186 -1.473 -10.596 1.00 0.00 C ATOM 623 NZ LYS A 41 -5.323 -2.053 -11.641 1.00 0.00 N ATOM 0 H LYS A 41 -6.574 -0.990 -5.727 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.288 -3.830 -6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.754 -1.313 -6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.143 -2.910 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.894 -3.366 -8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.978 -2.199 -8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.643 -0.323 -8.852 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.384 -1.407 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.062 -2.107 -10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.547 -0.499 -10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.861 -2.138 -12.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.500 -1.436 -11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.999 -2.994 -11.341 1.00 0.00 H new ATOM 637 N LEU A 42 -4.361 -2.311 -3.920 1.00 0.00 N ATOM 638 CA LEU A 42 -3.525 -2.508 -2.751 1.00 0.00 C ATOM 639 C LEU A 42 -4.244 -3.353 -1.711 1.00 0.00 C ATOM 640 O LEU A 42 -3.730 -4.395 -1.325 1.00 0.00 O ATOM 641 CB LEU A 42 -3.113 -1.125 -2.237 1.00 0.00 C ATOM 642 CG LEU A 42 -1.977 -1.057 -1.205 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.523 -0.850 0.209 1.00 0.00 C ATOM 644 CD2 LEU A 42 -0.957 -2.200 -1.241 1.00 0.00 C ATOM 0 H LEU A 42 -4.528 -1.326 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.622 -3.067 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.822 -0.521 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.993 -0.654 -1.799 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.402 -0.183 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.695 -0.806 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.084 0.084 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.180 -1.680 0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.205 -2.041 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.466 -3.147 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.473 -2.225 -2.217 1.00 0.00 H new ATOM 656 N ALA A 43 -5.452 -2.948 -1.315 1.00 0.00 N ATOM 657 CA ALA A 43 -6.304 -3.684 -0.397 1.00 0.00 C ATOM 658 C ALA A 43 -6.347 -5.174 -0.733 1.00 0.00 C ATOM 659 O ALA A 43 -5.971 -5.981 0.114 1.00 0.00 O ATOM 660 CB ALA A 43 -7.706 -3.085 -0.403 1.00 0.00 C ATOM 0 H ALA A 43 -5.870 -2.075 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.882 -3.596 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.342 -3.640 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.657 -2.042 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.123 -3.145 -1.408 1.00 0.00 H new ATOM 666 N VAL A 44 -6.752 -5.554 -1.952 1.00 0.00 N ATOM 667 CA VAL A 44 -6.872 -6.954 -2.311 1.00 0.00 C ATOM 668 C VAL A 44 -5.514 -7.652 -2.402 1.00 0.00 C ATOM 669 O VAL A 44 -5.450 -8.858 -2.159 1.00 0.00 O ATOM 670 CB VAL A 44 -7.692 -7.114 -3.604 1.00 0.00 C ATOM 671 CG1 VAL A 44 -9.118 -6.587 -3.410 1.00 0.00 C ATOM 672 CG2 VAL A 44 -7.080 -6.497 -4.869 1.00 0.00 C ATOM 0 H VAL A 44 -7.000 -4.904 -2.698 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.412 -7.454 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.693 -8.189 -3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.680 -6.710 -4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.607 -7.146 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.082 -5.530 -3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.743 -6.671 -5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.950 -5.425 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.112 -6.957 -5.066 1.00 0.00 H new ATOM 682 N ALA A 45 -4.433 -6.930 -2.717 1.00 0.00 N ATOM 683 CA ALA A 45 -3.096 -7.486 -2.833 1.00 0.00 C ATOM 684 C ALA A 45 -2.603 -7.939 -1.466 1.00 0.00 C ATOM 685 O ALA A 45 -1.972 -8.985 -1.367 1.00 0.00 O ATOM 686 CB ALA A 45 -2.154 -6.421 -3.403 1.00 0.00 C ATOM 0 H ALA A 45 -4.472 -5.927 -2.900 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.116 -8.347 -3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.149 -6.834 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.507 -6.112 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.134 -5.559 -2.737 1.00 0.00 H new ATOM 692 N ILE A 46 -2.907 -7.175 -0.420 1.00 0.00 N ATOM 693 CA ILE A 46 -2.540 -7.492 0.945 1.00 0.00 C ATOM 694 C ILE A 46 -3.358 -8.713 1.371 1.00 0.00 C ATOM 695 O ILE A 46 -4.568 -8.616 1.579 1.00 0.00 O ATOM 696 CB ILE A 46 -2.825 -6.276 1.847 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.067 -5.008 1.414 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.430 -6.562 3.298 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.768 -3.759 1.941 1.00 0.00 C ATOM 0 H ILE A 46 -3.426 -6.301 -0.506 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.478 -7.721 1.031 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.897 -6.101 1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.044 -5.043 1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.007 -4.967 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.642 -5.687 3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.001 -7.413 3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.365 -6.790 3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.218 -2.872 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.783 -3.717 1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.805 -3.794 3.030 1.00 0.00 H new ATOM 711 N LYS A 47 -2.715 -9.866 1.533 1.00 0.00 N ATOM 712 CA LYS A 47 -3.270 -10.934 2.353 1.00 0.00 C ATOM 713 C LYS A 47 -2.721 -10.778 3.768 1.00 0.00 C ATOM 714 O LYS A 47 -1.753 -10.057 4.012 1.00 0.00 O ATOM 715 CB LYS A 47 -2.943 -12.310 1.752 1.00 0.00 C ATOM 716 CG LYS A 47 -4.027 -12.853 0.808 1.00 0.00 C ATOM 717 CD LYS A 47 -4.469 -11.939 -0.333 1.00 0.00 C ATOM 718 CE LYS A 47 -3.327 -11.722 -1.315 1.00 0.00 C ATOM 719 NZ LYS A 47 -3.787 -11.007 -2.507 1.00 0.00 N ATOM 0 H LYS A 47 -1.813 -10.082 1.109 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.357 -10.866 2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.002 -12.243 1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.792 -13.023 2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.664 -13.785 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.905 -13.099 1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.322 -12.379 -0.850 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.799 -10.981 0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.530 -11.156 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.904 -12.684 -1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.966 -10.664 -3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.347 -11.650 -3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.376 -10.199 -2.221 1.00 0.00 H new ATOM 733 N LYS A 48 -3.370 -11.448 4.716 1.00 0.00 N ATOM 734 CA LYS A 48 -2.861 -11.672 6.061 1.00 0.00 C ATOM 735 C LYS A 48 -1.549 -12.445 5.943 1.00 0.00 C ATOM 736 O LYS A 48 -1.300 -13.066 4.899 1.00 0.00 O ATOM 737 CB LYS A 48 -3.926 -12.435 6.879 1.00 0.00 C ATOM 738 CG LYS A 48 -5.069 -11.503 7.290 1.00 0.00 C ATOM 739 CD LYS A 48 -6.051 -12.068 8.316 1.00 0.00 C ATOM 740 CE LYS A 48 -6.969 -10.911 8.735 1.00 0.00 C ATOM 741 NZ LYS A 48 -8.259 -11.362 9.283 1.00 0.00 N ATOM 0 H LYS A 48 -4.290 -11.861 4.563 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.662 -10.736 6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.320 -13.262 6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.467 -12.868 7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.638 -10.587 7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.627 -11.226 6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.631 -12.885 7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.520 -12.472 9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.458 -10.302 9.481 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.152 -10.271 7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.832 -10.535 9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.765 -11.920 8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.092 -11.950 10.124 1.00 0.00 H new ATOM 755 N PRO A 49 -0.762 -12.562 7.023 1.00 0.00 N ATOM 756 CA PRO A 49 0.413 -13.416 6.998 1.00 0.00 C ATOM 757 C PRO A 49 0.008 -14.883 6.767 1.00 0.00 C ATOM 758 O PRO A 49 0.829 -15.685 6.335 1.00 0.00 O ATOM 759 CB PRO A 49 1.113 -13.191 8.341 1.00 0.00 C ATOM 760 CG PRO A 49 0.348 -12.078 9.051 1.00 0.00 C ATOM 761 CD PRO A 49 -1.009 -12.071 8.367 1.00 0.00 C ATOM 0 HA PRO A 49 1.090 -13.176 6.178 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.111 -14.104 8.937 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.156 -12.910 8.192 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.256 -12.275 10.119 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.853 -11.117 8.947 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.719 -12.708 8.894 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.435 -11.068 8.347 1.00 0.00 H new ATOM 769 N SER A 50 -1.263 -15.218 7.019 1.00 0.00 N ATOM 770 CA SER A 50 -1.904 -16.504 6.793 1.00 0.00 C ATOM 771 C SER A 50 -2.307 -16.775 5.333 1.00 0.00 C ATOM 772 O SER A 50 -2.663 -17.909 5.010 1.00 0.00 O ATOM 773 CB SER A 50 -3.161 -16.542 7.671 1.00 0.00 C ATOM 774 OG SER A 50 -2.868 -16.082 8.983 1.00 0.00 O ATOM 0 H SER A 50 -1.913 -14.540 7.416 1.00 0.00 H new ATOM 0 HA SER A 50 -1.178 -17.278 7.043 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.940 -15.922 7.228 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.550 -17.559 7.715 1.00 0.00 H new ATOM 0 HG SER A 50 -3.681 -16.111 9.529 1.00 0.00 H new ATOM 780 N GLY A 51 -2.286 -15.775 4.445 1.00 0.00 N ATOM 781 CA GLY A 51 -2.807 -15.901 3.082 1.00 0.00 C ATOM 782 C GLY A 51 -4.317 -15.641 2.979 1.00 0.00 C ATOM 783 O GLY A 51 -4.894 -15.785 1.900 1.00 0.00 O ATOM 0 H GLY A 51 -1.905 -14.852 4.654 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.280 -15.201 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.592 -16.903 2.710 1.00 0.00 H new ATOM 787 N ASP A 52 -4.975 -15.275 4.079 1.00 0.00 N ATOM 788 CA ASP A 52 -6.392 -14.900 4.117 1.00 0.00 C ATOM 789 C ASP A 52 -6.546 -13.477 3.563 1.00 0.00 C ATOM 790 O ASP A 52 -5.646 -12.659 3.758 1.00 0.00 O ATOM 791 CB ASP A 52 -6.894 -14.904 5.571 1.00 0.00 C ATOM 792 CG ASP A 52 -7.217 -16.276 6.156 1.00 0.00 C ATOM 793 OD1 ASP A 52 -6.555 -17.282 5.816 1.00 0.00 O ATOM 794 OD2 ASP A 52 -8.124 -16.332 7.017 1.00 0.00 O ATOM 0 H ASP A 52 -4.527 -15.229 4.994 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.966 -15.611 3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.138 -14.431 6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.789 -14.285 5.629 1.00 0.00 H new ATOM 799 N ASP A 53 -7.666 -13.133 2.923 1.00 0.00 N ATOM 800 CA ASP A 53 -7.946 -11.764 2.458 1.00 0.00 C ATOM 801 C ASP A 53 -8.018 -10.844 3.688 1.00 0.00 C ATOM 802 O ASP A 53 -8.890 -11.061 4.536 1.00 0.00 O ATOM 803 CB ASP A 53 -9.303 -11.675 1.714 1.00 0.00 C ATOM 804 CG ASP A 53 -9.331 -12.146 0.257 1.00 0.00 C ATOM 805 OD1 ASP A 53 -8.911 -11.388 -0.654 1.00 0.00 O ATOM 806 OD2 ASP A 53 -9.826 -13.264 -0.007 1.00 0.00 O ATOM 0 H ASP A 53 -8.411 -13.797 2.710 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.154 -11.468 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.034 -12.259 2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.636 -10.638 1.741 1.00 0.00 H new ATOM 811 N ARG A 54 -7.147 -9.829 3.828 1.00 0.00 N ATOM 812 CA ARG A 54 -7.187 -8.909 4.981 1.00 0.00 C ATOM 813 C ARG A 54 -8.508 -8.162 5.085 1.00 0.00 C ATOM 814 O ARG A 54 -9.016 -7.991 6.196 1.00 0.00 O ATOM 815 CB ARG A 54 -6.070 -7.858 4.952 1.00 0.00 C ATOM 816 CG ARG A 54 -4.702 -8.476 5.192 1.00 0.00 C ATOM 817 CD ARG A 54 -3.786 -7.612 6.065 1.00 0.00 C ATOM 818 NE ARG A 54 -3.901 -7.974 7.487 1.00 0.00 N ATOM 819 CZ ARG A 54 -2.907 -8.441 8.256 1.00 0.00 C ATOM 820 NH1 ARG A 54 -1.663 -8.549 7.807 1.00 0.00 N ATOM 821 NH2 ARG A 54 -3.150 -8.852 9.489 1.00 0.00 N ATOM 0 H ARG A 54 -6.406 -9.624 3.157 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.054 -9.561 5.844 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.075 -7.350 3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.264 -7.101 5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.830 -9.449 5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.217 -8.650 4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.752 -7.732 5.740 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.042 -6.561 5.934 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.815 -7.860 7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.440 -8.273 6.851 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.930 -8.908 8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.099 -8.815 9.861 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.389 -9.206 10.068 1.00 0.00 H new ATOM 835 N TYR A 55 -9.028 -7.695 3.956 1.00 0.00 N ATOM 836 CA TYR A 55 -10.182 -6.832 3.819 1.00 0.00 C ATOM 837 C TYR A 55 -11.023 -7.432 2.697 1.00 0.00 C ATOM 838 O TYR A 55 -10.484 -8.033 1.765 1.00 0.00 O ATOM 839 CB TYR A 55 -9.714 -5.407 3.467 1.00 0.00 C ATOM 840 CG TYR A 55 -8.573 -4.889 4.328 1.00 0.00 C ATOM 841 CD1 TYR A 55 -8.808 -4.530 5.669 1.00 0.00 C ATOM 842 CD2 TYR A 55 -7.262 -4.833 3.808 1.00 0.00 C ATOM 843 CE1 TYR A 55 -7.742 -4.134 6.497 1.00 0.00 C ATOM 844 CE2 TYR A 55 -6.192 -4.440 4.630 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.426 -4.103 5.981 1.00 0.00 C ATOM 846 OH TYR A 55 -5.368 -3.786 6.771 1.00 0.00 O ATOM 0 H TYR A 55 -8.621 -7.930 3.051 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.763 -6.764 4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.402 -5.388 2.423 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.561 -4.727 3.560 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.813 -4.559 6.064 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.081 -5.093 2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.928 -3.855 7.523 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.190 -4.396 4.228 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.737 -4.536 6.790 1.00 0.00 H new ATOM 856 N ASN A 56 -12.348 -7.321 2.780 1.00 0.00 N ATOM 857 CA ASN A 56 -13.241 -7.767 1.714 1.00 0.00 C ATOM 858 C ASN A 56 -14.097 -6.631 1.189 1.00 0.00 C ATOM 859 O ASN A 56 -14.094 -5.541 1.759 1.00 0.00 O ATOM 860 CB ASN A 56 -14.109 -8.939 2.189 1.00 0.00 C ATOM 861 CG ASN A 56 -13.840 -10.152 1.327 1.00 0.00 C ATOM 862 OD1 ASN A 56 -12.889 -10.880 1.578 1.00 0.00 O ATOM 863 ND2 ASN A 56 -14.676 -10.421 0.346 1.00 0.00 N ATOM 0 H ASN A 56 -12.830 -6.921 3.585 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.622 -8.114 0.887 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.891 -9.166 3.232 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -15.164 -8.669 2.135 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.539 -11.254 -0.227 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.461 -9.797 0.159 1.00 0.00 H new ATOM 870 N GLN A 57 -14.948 -6.959 0.211 1.00 0.00 N ATOM 871 CA GLN A 57 -16.095 -6.192 -0.277 1.00 0.00 C ATOM 872 C GLN A 57 -16.733 -5.296 0.791 1.00 0.00 C ATOM 873 O GLN A 57 -16.942 -4.111 0.545 1.00 0.00 O ATOM 874 CB GLN A 57 -17.159 -7.161 -0.819 1.00 0.00 C ATOM 875 CG GLN A 57 -16.760 -7.825 -2.142 1.00 0.00 C ATOM 876 CD GLN A 57 -17.713 -8.968 -2.491 1.00 0.00 C ATOM 877 OE1 GLN A 57 -18.926 -8.796 -2.545 1.00 0.00 O ATOM 878 NE2 GLN A 57 -17.191 -10.165 -2.682 1.00 0.00 N ATOM 0 H GLN A 57 -14.843 -7.836 -0.298 1.00 0.00 H new ATOM 0 HA GLN A 57 -15.720 -5.533 -1.060 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.348 -7.935 -0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -18.095 -6.620 -0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -16.767 -7.084 -2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.741 -8.206 -2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.180 -10.294 -2.634 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.798 -10.961 -2.877 1.00 0.00 H new ATOM 887 N PHE A 58 -17.028 -5.856 1.964 1.00 0.00 N ATOM 888 CA PHE A 58 -17.619 -5.173 3.105 1.00 0.00 C ATOM 889 C PHE A 58 -16.838 -3.910 3.491 1.00 0.00 C ATOM 890 O PHE A 58 -17.424 -2.835 3.628 1.00 0.00 O ATOM 891 CB PHE A 58 -17.676 -6.194 4.246 1.00 0.00 C ATOM 892 CG PHE A 58 -18.271 -5.695 5.543 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.656 -5.477 5.650 1.00 0.00 C ATOM 894 CD2 PHE A 58 -17.449 -5.535 6.671 1.00 0.00 C ATOM 895 CE1 PHE A 58 -20.218 -5.143 6.893 1.00 0.00 C ATOM 896 CE2 PHE A 58 -18.011 -5.206 7.913 1.00 0.00 C ATOM 897 CZ PHE A 58 -19.397 -5.023 8.030 1.00 0.00 C ATOM 0 H PHE A 58 -16.852 -6.844 2.149 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.620 -4.817 2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -18.254 -7.055 3.910 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.664 -6.547 4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -20.287 -5.566 4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.381 -5.666 6.581 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.282 -4.978 6.977 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -17.377 -5.093 8.780 1.00 0.00 H new ATOM 0 HZ PHE A 58 -19.833 -4.791 8.990 1.00 0.00 H new ATOM 907 N HIS A 59 -15.520 -4.022 3.654 1.00 0.00 N ATOM 908 CA HIS A 59 -14.649 -2.915 4.034 1.00 0.00 C ATOM 909 C HIS A 59 -14.342 -2.033 2.822 1.00 0.00 C ATOM 910 O HIS A 59 -14.269 -0.814 2.952 1.00 0.00 O ATOM 911 CB HIS A 59 -13.369 -3.475 4.672 1.00 0.00 C ATOM 912 CG HIS A 59 -13.637 -4.205 5.969 1.00 0.00 C ATOM 913 ND1 HIS A 59 -13.327 -5.514 6.271 1.00 0.00 N ATOM 914 CD2 HIS A 59 -14.216 -3.660 7.085 1.00 0.00 C ATOM 915 CE1 HIS A 59 -13.705 -5.743 7.538 1.00 0.00 C ATOM 916 NE2 HIS A 59 -14.283 -4.652 8.069 1.00 0.00 N ATOM 0 H HIS A 59 -15.021 -4.902 3.523 1.00 0.00 H new ATOM 0 HA HIS A 59 -15.152 -2.285 4.768 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.885 -4.154 3.970 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.672 -2.658 4.857 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.561 -2.642 7.187 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.564 -6.678 8.060 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.688 -4.565 9.001 1.00 0.00 H new ATOM 924 N ILE A 60 -14.234 -2.623 1.627 1.00 0.00 N ATOM 925 CA ILE A 60 -14.064 -1.880 0.384 1.00 0.00 C ATOM 926 C ILE A 60 -15.212 -0.887 0.207 1.00 0.00 C ATOM 927 O ILE A 60 -14.949 0.283 -0.030 1.00 0.00 O ATOM 928 CB ILE A 60 -13.899 -2.848 -0.807 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.597 -3.674 -0.705 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.964 -2.128 -2.164 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.297 -2.862 -0.684 1.00 0.00 C ATOM 0 H ILE A 60 -14.263 -3.635 1.499 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.147 -1.293 0.426 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.745 -3.533 -0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.641 -4.278 0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.559 -4.365 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.842 -2.854 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.929 -1.631 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.167 -1.387 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.446 -3.539 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.218 -2.278 -1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.301 -2.190 0.175 1.00 0.00 H new ATOM 943 N ARG A 61 -16.473 -1.306 0.339 1.00 0.00 N ATOM 944 CA ARG A 61 -17.621 -0.414 0.221 1.00 0.00 C ATOM 945 C ARG A 61 -17.543 0.759 1.194 1.00 0.00 C ATOM 946 O ARG A 61 -17.888 1.877 0.817 1.00 0.00 O ATOM 947 CB ARG A 61 -18.895 -1.230 0.441 1.00 0.00 C ATOM 948 CG ARG A 61 -19.174 -2.174 -0.739 1.00 0.00 C ATOM 949 CD ARG A 61 -20.518 -1.859 -1.391 1.00 0.00 C ATOM 950 NE ARG A 61 -20.914 -2.917 -2.332 1.00 0.00 N ATOM 951 CZ ARG A 61 -21.972 -2.931 -3.147 1.00 0.00 C ATOM 952 NH1 ARG A 61 -22.808 -1.900 -3.210 1.00 0.00 N ATOM 953 NH2 ARG A 61 -22.180 -4.007 -3.896 1.00 0.00 N ATOM 0 H ARG A 61 -16.723 -2.276 0.531 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.627 0.022 -0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.801 -1.811 1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.741 -0.556 0.576 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.378 -2.082 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.169 -3.207 -0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -21.282 -1.749 -0.621 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -20.456 -0.906 -1.916 1.00 0.00 H new ATOM 0 HE ARG A 61 -20.309 -3.738 -2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -22.648 -1.077 -2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -23.610 -1.931 -3.839 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -21.539 -4.798 -3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -22.981 -4.042 -4.527 1.00 0.00 H new ATOM 967 N ARG A 62 -17.085 0.533 2.427 1.00 0.00 N ATOM 968 CA ARG A 62 -16.767 1.599 3.371 1.00 0.00 C ATOM 969 C ARG A 62 -15.788 2.589 2.752 1.00 0.00 C ATOM 970 O ARG A 62 -16.097 3.771 2.642 1.00 0.00 O ATOM 971 CB ARG A 62 -16.222 0.975 4.668 1.00 0.00 C ATOM 972 CG ARG A 62 -17.079 1.378 5.869 1.00 0.00 C ATOM 973 CD ARG A 62 -17.221 0.235 6.868 1.00 0.00 C ATOM 974 NE ARG A 62 -16.172 0.225 7.898 1.00 0.00 N ATOM 975 CZ ARG A 62 -15.943 -0.768 8.761 1.00 0.00 C ATOM 976 NH1 ARG A 62 -16.756 -1.820 8.805 1.00 0.00 N ATOM 977 NH2 ARG A 62 -14.879 -0.719 9.555 1.00 0.00 N ATOM 0 H ARG A 62 -16.924 -0.403 2.798 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.668 2.162 3.615 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.206 -0.111 4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.193 1.296 4.826 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.631 2.240 6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -18.066 1.686 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.195 0.305 7.353 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -17.200 -0.713 6.330 1.00 0.00 H new ATOM 0 HE ARG A 62 -15.569 1.045 7.958 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.559 -1.871 8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.577 -2.576 9.466 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.241 0.075 9.504 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.700 -1.475 10.216 1.00 0.00 H new ATOM 991 N PHE A 63 -14.627 2.114 2.306 1.00 0.00 N ATOM 992 CA PHE A 63 -13.615 2.954 1.683 1.00 0.00 C ATOM 993 C PHE A 63 -14.155 3.678 0.436 1.00 0.00 C ATOM 994 O PHE A 63 -13.835 4.844 0.236 1.00 0.00 O ATOM 995 CB PHE A 63 -12.402 2.076 1.355 1.00 0.00 C ATOM 996 CG PHE A 63 -11.546 1.592 2.518 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.984 2.504 3.434 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.195 0.230 2.609 1.00 0.00 C ATOM 999 CE1 PHE A 63 -10.076 2.062 4.413 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.289 -0.212 3.590 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.717 0.705 4.486 1.00 0.00 C ATOM 0 H PHE A 63 -14.364 1.131 2.368 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.319 3.743 2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.758 1.200 0.813 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.759 2.633 0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -11.252 3.549 3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -11.626 -0.481 1.919 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.653 2.768 5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.033 -1.259 3.654 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.006 0.370 5.227 1.00 0.00 H new ATOM 1011 N GLU A 64 -14.999 3.058 -0.391 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.611 3.696 -1.554 1.00 0.00 C ATOM 1013 C GLU A 64 -16.483 4.875 -1.135 1.00 0.00 C ATOM 1014 O GLU A 64 -16.600 5.824 -1.891 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.497 2.730 -2.361 1.00 0.00 C ATOM 1016 CG GLU A 64 -15.728 1.608 -3.081 1.00 0.00 C ATOM 1017 CD GLU A 64 -16.538 0.801 -4.101 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -17.780 0.687 -3.985 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -15.923 0.258 -5.048 1.00 0.00 O ATOM 0 H GLU A 64 -15.279 2.085 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.781 4.028 -2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.227 2.279 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.056 3.302 -3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.871 2.048 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.335 0.922 -2.331 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.086 4.877 0.051 1.00 0.00 N ATOM 1027 CA ALA A 65 -17.869 6.028 0.477 1.00 0.00 C ATOM 1028 C ALA A 65 -16.986 7.273 0.605 1.00 0.00 C ATOM 1029 O ALA A 65 -17.464 8.381 0.370 1.00 0.00 O ATOM 1030 CB ALA A 65 -18.539 5.693 1.803 1.00 0.00 C ATOM 0 H ALA A 65 -17.048 4.109 0.721 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.631 6.251 -0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.130 6.545 2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.190 4.828 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.777 5.465 2.548 1.00 0.00 H new ATOM 1036 N LEU A 66 -15.707 7.101 0.945 1.00 0.00 N ATOM 1037 CA LEU A 66 -14.761 8.184 1.164 1.00 0.00 C ATOM 1038 C LEU A 66 -14.571 8.972 -0.133 1.00 0.00 C ATOM 1039 O LEU A 66 -14.831 10.176 -0.163 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.437 7.618 1.717 1.00 0.00 C ATOM 1041 CG LEU A 66 -13.599 6.827 3.031 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.250 6.224 3.414 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -14.084 7.708 4.189 1.00 0.00 C ATOM 0 H LEU A 66 -15.295 6.177 1.078 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.148 8.879 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.988 6.968 0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.742 8.441 1.883 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.349 6.055 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.353 5.662 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.912 5.557 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.521 7.022 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.182 7.103 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.364 8.507 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.052 8.141 3.936 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.180 8.300 -1.223 1.00 0.00 N ATOM 1056 CA LEU A 67 -13.969 8.933 -2.518 1.00 0.00 C ATOM 1057 C LEU A 67 -15.230 9.605 -3.047 1.00 0.00 C ATOM 1058 O LEU A 67 -15.136 10.601 -3.759 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.336 7.928 -3.490 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.214 6.789 -4.028 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -15.026 7.199 -5.258 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.366 5.579 -4.403 1.00 0.00 C ATOM 0 H LEU A 67 -14.002 7.296 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.261 9.753 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.954 8.486 -4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.476 7.479 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 67 -14.903 6.540 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.628 6.355 -5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.681 8.032 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.349 7.503 -6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.011 4.786 -4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.649 5.862 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.831 5.223 -3.523 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.406 9.110 -2.662 1.00 0.00 N ATOM 1075 CA GLN A 68 -17.708 9.627 -3.074 1.00 0.00 C ATOM 1076 C GLN A 68 -18.055 10.944 -2.368 1.00 0.00 C ATOM 1077 O GLN A 68 -19.080 11.556 -2.682 1.00 0.00 O ATOM 1078 CB GLN A 68 -18.766 8.550 -2.794 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.519 7.268 -3.605 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.091 7.283 -5.017 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -18.374 7.087 -5.997 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -20.393 7.449 -5.161 1.00 0.00 N ATOM 0 H GLN A 68 -16.479 8.310 -2.033 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.681 9.854 -4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.766 8.311 -1.731 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.754 8.944 -3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.445 7.095 -3.666 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -18.948 6.425 -3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -20.980 7.611 -4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -20.812 7.415 -6.090 1.00 0.00 H new ATOM 1091 N THR A 69 -17.224 11.394 -1.426 1.00 0.00 N ATOM 1092 CA THR A 69 -17.256 12.728 -0.842 1.00 0.00 C ATOM 1093 C THR A 69 -15.851 13.372 -0.847 1.00 0.00 C ATOM 1094 O THR A 69 -15.545 14.251 -0.031 1.00 0.00 O ATOM 1095 CB THR A 69 -17.965 12.637 0.518 1.00 0.00 C ATOM 1096 OG1 THR A 69 -18.205 13.916 1.065 1.00 0.00 O ATOM 1097 CG2 THR A 69 -17.220 11.742 1.512 1.00 0.00 C ATOM 0 H THR A 69 -16.482 10.812 -1.036 1.00 0.00 H new ATOM 0 HA THR A 69 -17.842 13.424 -1.442 1.00 0.00 H new ATOM 0 HB THR A 69 -18.929 12.165 0.330 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.433 14.495 0.895 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.765 11.714 2.456 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.144 10.733 1.107 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.220 12.141 1.682 1.00 0.00 H new ATOM 1105 N GLY A 70 -14.959 12.920 -1.734 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.653 13.528 -1.949 1.00 0.00 C ATOM 1107 C GLY A 70 -12.619 13.244 -0.860 1.00 0.00 C ATOM 1108 O GLY A 70 -11.500 13.755 -0.955 1.00 0.00 O ATOM 0 H GLY A 70 -15.132 12.109 -2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.259 13.178 -2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.781 14.607 -2.034 1.00 0.00 H new ATOM 1112 N LYS A 71 -12.947 12.460 0.169 1.00 0.00 N ATOM 1113 CA LYS A 71 -11.935 11.918 1.067 1.00 0.00 C ATOM 1114 C LYS A 71 -11.107 10.913 0.280 1.00 0.00 C ATOM 1115 O LYS A 71 -11.643 10.238 -0.589 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.617 11.207 2.245 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.284 12.155 3.236 1.00 0.00 C ATOM 1118 CD LYS A 71 -12.224 12.837 4.099 1.00 0.00 C ATOM 1119 CE LYS A 71 -12.934 13.752 5.079 1.00 0.00 C ATOM 1120 NZ LYS A 71 -11.971 14.379 5.998 1.00 0.00 N ATOM 0 H LYS A 71 -13.903 12.189 0.398 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.304 12.717 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.366 10.518 1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.876 10.607 2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.866 12.905 2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.980 11.603 3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.631 12.094 4.632 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.535 13.407 3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.479 14.523 4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.669 13.183 5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.477 15.001 6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.469 13.641 6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.285 14.939 5.453 1.00 0.00 H new ATOM 1134 N SER A 72 -9.843 10.736 0.646 1.00 0.00 N ATOM 1135 CA SER A 72 -9.010 9.665 0.132 1.00 0.00 C ATOM 1136 C SER A 72 -9.222 8.384 0.935 1.00 0.00 C ATOM 1137 O SER A 72 -8.804 8.325 2.099 1.00 0.00 O ATOM 1138 CB SER A 72 -7.543 10.074 0.212 1.00 0.00 C ATOM 1139 OG SER A 72 -7.302 11.061 -0.750 1.00 0.00 O ATOM 0 H SER A 72 -9.366 11.340 1.315 1.00 0.00 H new ATOM 0 HA SER A 72 -9.287 9.479 -0.906 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.309 10.451 1.208 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.900 9.211 0.038 1.00 0.00 H new ATOM 0 HG SER A 72 -7.089 10.637 -1.608 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.791 7.334 0.327 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.648 5.983 0.831 1.00 0.00 C ATOM 1147 C PRO A 73 -8.191 5.534 0.901 1.00 0.00 C ATOM 1148 O PRO A 73 -7.879 4.766 1.809 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.480 5.091 -0.089 1.00 0.00 C ATOM 1150 CG PRO A 73 -10.989 5.964 -1.227 1.00 0.00 C ATOM 1151 CD PRO A 73 -10.556 7.374 -0.907 1.00 0.00 C ATOM 0 HA PRO A 73 -10.002 5.921 1.860 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.877 4.269 -0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.313 4.647 0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.576 5.638 -2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.074 5.900 -1.310 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.952 7.782 -1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.424 8.025 -0.798 1.00 0.00 H new ATOM 1159 N THR A 74 -7.291 6.024 0.037 1.00 0.00 N ATOM 1160 CA THR A 74 -5.869 5.735 0.137 1.00 0.00 C ATOM 1161 C THR A 74 -5.379 6.105 1.535 1.00 0.00 C ATOM 1162 O THR A 74 -4.772 5.268 2.200 1.00 0.00 O ATOM 1163 CB THR A 74 -5.055 6.522 -0.907 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.481 6.295 -2.227 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.571 6.129 -0.847 1.00 0.00 C ATOM 0 H THR A 74 -7.536 6.630 -0.746 1.00 0.00 H new ATOM 0 HA THR A 74 -5.726 4.671 -0.052 1.00 0.00 H new ATOM 0 HB THR A 74 -5.207 7.572 -0.656 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.930 6.821 -2.844 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.014 6.696 -1.593 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.176 6.348 0.145 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.468 5.063 -1.051 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.616 7.351 1.956 1.00 0.00 N ATOM 1174 CA CYS A 75 -5.049 7.896 3.180 1.00 0.00 C ATOM 1175 C CYS A 75 -5.525 7.091 4.390 1.00 0.00 C ATOM 1176 O CYS A 75 -4.706 6.724 5.228 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.419 9.387 3.231 1.00 0.00 C ATOM 1178 SG CYS A 75 -4.589 10.260 4.582 1.00 0.00 S ATOM 0 H CYS A 75 -6.210 8.008 1.451 1.00 0.00 H new ATOM 0 HA CYS A 75 -3.962 7.816 3.200 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -5.155 9.856 2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.498 9.487 3.347 1.00 0.00 H new ATOM 0 HG CYS A 75 -4.940 11.512 4.570 1.00 0.00 H new ATOM 1184 N GLU A 76 -6.820 6.764 4.447 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.370 5.929 5.507 1.00 0.00 C ATOM 1186 C GLU A 76 -6.779 4.519 5.465 1.00 0.00 C ATOM 1187 O GLU A 76 -6.273 4.059 6.486 1.00 0.00 O ATOM 1188 CB GLU A 76 -8.905 5.871 5.392 1.00 0.00 C ATOM 1189 CG GLU A 76 -9.616 7.077 6.019 1.00 0.00 C ATOM 1190 CD GLU A 76 -9.192 7.376 7.461 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -9.594 6.649 8.399 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -8.462 8.372 7.671 1.00 0.00 O ATOM 0 H GLU A 76 -7.509 7.071 3.761 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.101 6.375 6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.179 5.806 4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.262 4.960 5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.424 7.957 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.692 6.902 5.997 1.00 0.00 H new ATOM 1199 N LEU A 77 -6.830 3.838 4.313 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.339 2.467 4.163 1.00 0.00 C ATOM 1201 C LEU A 77 -4.888 2.374 4.562 1.00 0.00 C ATOM 1202 O LEU A 77 -4.535 1.444 5.263 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.514 1.975 2.723 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.794 0.674 2.294 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.320 -0.590 2.968 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -5.926 0.482 0.780 1.00 0.00 C ATOM 0 H LEU A 77 -7.217 4.228 3.454 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.929 1.830 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.581 1.837 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.182 2.772 2.058 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.758 0.805 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.760 -1.454 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.201 -0.503 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.376 -0.718 2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.417 -0.435 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.980 0.415 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.474 1.330 0.265 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.041 3.297 4.107 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.632 3.266 4.425 1.00 0.00 C ATOM 1220 C LEU A 78 -2.428 3.296 5.946 1.00 0.00 C ATOM 1221 O LEU A 78 -1.631 2.530 6.483 1.00 0.00 O ATOM 1222 CB LEU A 78 -1.922 4.482 3.791 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.522 4.337 2.314 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.584 5.459 1.902 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -0.916 2.971 1.962 1.00 0.00 C ATOM 0 H LEU A 78 -4.319 4.078 3.513 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.207 2.346 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.576 5.349 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.024 4.695 4.370 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.450 4.407 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.312 5.339 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.082 6.419 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.316 5.425 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.660 2.948 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.017 2.808 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.640 2.185 2.177 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.128 4.203 6.633 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.000 4.422 8.070 1.00 0.00 C ATOM 1239 C PHE A 79 -3.502 3.204 8.846 1.00 0.00 C ATOM 1240 O PHE A 79 -2.830 2.726 9.767 1.00 0.00 O ATOM 1241 CB PHE A 79 -3.797 5.685 8.446 1.00 0.00 C ATOM 1242 CG PHE A 79 -3.155 6.620 9.447 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -2.418 6.146 10.551 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -3.294 8.004 9.243 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -1.819 7.056 11.439 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -2.693 8.911 10.129 1.00 0.00 C ATOM 1247 CZ PHE A 79 -1.951 8.438 11.224 1.00 0.00 C ATOM 0 H PHE A 79 -3.813 4.817 6.193 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.952 4.564 8.332 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.994 6.247 7.533 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.763 5.372 8.843 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.314 5.084 10.715 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.865 8.370 8.402 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.257 6.693 12.287 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.801 9.974 9.969 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.482 9.137 11.901 1.00 0.00 H new ATOM 1257 N ASP A 80 -4.681 2.713 8.461 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.345 1.589 9.092 1.00 0.00 C ATOM 1259 C ASP A 80 -4.538 0.321 8.852 1.00 0.00 C ATOM 1260 O ASP A 80 -4.266 -0.426 9.788 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.770 1.432 8.557 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.533 0.406 9.390 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -7.918 0.712 10.538 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -7.788 -0.723 8.917 1.00 0.00 O ATOM 0 H ASP A 80 -5.209 3.102 7.680 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.410 1.772 10.165 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.286 2.392 8.587 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.742 1.117 7.514 1.00 0.00 H new ATOM 1269 N TRP A 81 -4.107 0.066 7.615 1.00 0.00 N ATOM 1270 CA TRP A 81 -3.216 -1.034 7.259 1.00 0.00 C ATOM 1271 C TRP A 81 -1.939 -0.968 8.090 1.00 0.00 C ATOM 1272 O TRP A 81 -1.423 -1.986 8.541 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.888 -0.991 5.759 1.00 0.00 C ATOM 1274 CG TRP A 81 -2.057 -2.119 5.266 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -2.150 -3.405 5.663 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -0.984 -2.076 4.292 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -1.137 -4.140 5.090 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.401 -3.376 4.214 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.439 -1.057 3.484 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.686 -3.657 3.382 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.634 -1.347 2.624 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.192 -2.638 2.570 1.00 0.00 C ATOM 0 H TRP A 81 -4.377 0.636 6.813 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.719 -1.977 7.474 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.823 -0.976 5.198 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.371 -0.056 5.542 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.904 -3.798 6.329 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.956 -5.124 5.289 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -0.845 -0.057 3.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.127 -4.643 3.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 1.037 -0.567 1.995 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.014 -2.842 1.899 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.483 0.244 8.385 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.376 0.519 9.271 1.00 0.00 C ATOM 1295 C GLY A 82 -0.509 -0.212 10.606 1.00 0.00 C ATOM 1296 O GLY A 82 0.488 -0.744 11.105 1.00 0.00 O ATOM 0 H GLY A 82 -1.896 1.091 7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.555 0.223 8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.315 1.592 9.451 1.00 0.00 H new ATOM 1300 N THR A 83 -1.714 -0.279 11.178 1.00 0.00 N ATOM 1301 CA THR A 83 -1.956 -0.935 12.458 1.00 0.00 C ATOM 1302 C THR A 83 -1.880 -2.469 12.335 1.00 0.00 C ATOM 1303 O THR A 83 -1.834 -3.166 13.348 1.00 0.00 O ATOM 1304 CB THR A 83 -3.276 -0.388 13.052 1.00 0.00 C ATOM 1305 OG1 THR A 83 -3.211 -0.222 14.460 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.520 -1.227 12.758 1.00 0.00 C ATOM 0 H THR A 83 -2.552 0.124 10.760 1.00 0.00 H new ATOM 0 HA THR A 83 -1.165 -0.697 13.169 1.00 0.00 H new ATOM 0 HB THR A 83 -3.380 0.571 12.544 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.066 0.127 14.788 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.391 -0.759 13.217 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.669 -1.292 11.680 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.388 -2.229 13.167 1.00 0.00 H new ATOM 1314 N THR A 84 -1.855 -3.010 11.116 1.00 0.00 N ATOM 1315 CA THR A 84 -1.820 -4.434 10.826 1.00 0.00 C ATOM 1316 C THR A 84 -0.386 -4.998 10.877 1.00 0.00 C ATOM 1317 O THR A 84 -0.249 -6.215 10.995 1.00 0.00 O ATOM 1318 CB THR A 84 -2.578 -4.663 9.493 1.00 0.00 C ATOM 1319 OG1 THR A 84 -3.695 -5.496 9.720 1.00 0.00 O ATOM 1320 CG2 THR A 84 -1.750 -5.264 8.355 1.00 0.00 C ATOM 0 H THR A 84 -1.859 -2.438 10.271 1.00 0.00 H new ATOM 0 HA THR A 84 -2.333 -5.008 11.598 1.00 0.00 H new ATOM 0 HB THR A 84 -2.863 -3.665 9.162 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.174 -5.638 8.877 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.377 -5.382 7.471 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.916 -4.602 8.123 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.366 -6.238 8.659 1.00 0.00 H new ATOM 1328 N ASN A 85 0.658 -4.145 10.858 1.00 0.00 N ATOM 1329 CA ASN A 85 2.100 -4.399 11.108 1.00 0.00 C ATOM 1330 C ASN A 85 2.956 -4.266 9.841 1.00 0.00 C ATOM 1331 O ASN A 85 4.143 -4.601 9.875 1.00 0.00 O ATOM 1332 CB ASN A 85 2.446 -5.745 11.798 1.00 0.00 C ATOM 1333 CG ASN A 85 1.717 -5.986 13.108 1.00 0.00 C ATOM 1334 OD1 ASN A 85 1.356 -5.061 13.826 1.00 0.00 O ATOM 1335 ND2 ASN A 85 1.486 -7.232 13.489 1.00 0.00 N ATOM 0 H ASN A 85 0.501 -3.160 10.646 1.00 0.00 H new ATOM 0 HA ASN A 85 2.346 -3.610 11.819 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.215 -6.560 11.113 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.520 -5.779 11.983 1.00 0.00 H new ATOM 0 HD21 ASN A 85 1.011 -7.415 14.373 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.782 -8.009 12.899 1.00 0.00 H new ATOM 1342 N CYS A 86 2.412 -3.755 8.739 1.00 0.00 N ATOM 1343 CA CYS A 86 3.136 -3.626 7.476 1.00 0.00 C ATOM 1344 C CYS A 86 4.192 -2.517 7.564 1.00 0.00 C ATOM 1345 O CYS A 86 4.249 -1.784 8.551 1.00 0.00 O ATOM 1346 CB CYS A 86 2.111 -3.282 6.395 1.00 0.00 C ATOM 1347 SG CYS A 86 1.215 -1.777 6.855 1.00 0.00 S ATOM 0 H CYS A 86 1.451 -3.417 8.697 1.00 0.00 H new ATOM 0 HA CYS A 86 3.653 -4.557 7.244 1.00 0.00 H new ATOM 0 HB2 CYS A 86 2.613 -3.139 5.438 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.411 -4.108 6.268 1.00 0.00 H new ATOM 0 HG CYS A 86 0.173 -1.641 6.089 1.00 0.00 H new ATOM 1353 N THR A 87 5.020 -2.360 6.535 1.00 0.00 N ATOM 1354 CA THR A 87 5.996 -1.281 6.410 1.00 0.00 C ATOM 1355 C THR A 87 5.847 -0.615 5.044 1.00 0.00 C ATOM 1356 O THR A 87 5.114 -1.099 4.182 1.00 0.00 O ATOM 1357 CB THR A 87 7.417 -1.838 6.612 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.699 -2.900 5.730 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.637 -2.324 8.035 1.00 0.00 C ATOM 0 H THR A 87 5.031 -3.000 5.741 1.00 0.00 H new ATOM 0 HA THR A 87 5.818 -0.528 7.178 1.00 0.00 H new ATOM 0 HB THR A 87 8.091 -1.008 6.403 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.502 -2.688 5.209 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.652 -2.709 8.135 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.493 -1.496 8.729 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.924 -3.116 8.263 1.00 0.00 H new ATOM 1367 N VAL A 88 6.583 0.467 4.801 1.00 0.00 N ATOM 1368 CA VAL A 88 6.632 1.107 3.494 1.00 0.00 C ATOM 1369 C VAL A 88 7.159 0.110 2.447 1.00 0.00 C ATOM 1370 O VAL A 88 6.717 0.134 1.305 1.00 0.00 O ATOM 1371 CB VAL A 88 7.549 2.338 3.556 1.00 0.00 C ATOM 1372 CG1 VAL A 88 7.554 3.062 2.211 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.094 3.343 4.613 1.00 0.00 C ATOM 0 H VAL A 88 7.161 0.923 5.507 1.00 0.00 H new ATOM 0 HA VAL A 88 5.629 1.424 3.209 1.00 0.00 H new ATOM 0 HB VAL A 88 8.543 1.970 3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.208 3.932 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.916 2.387 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.542 3.384 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.773 4.196 4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.085 3.684 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.099 2.867 5.594 1.00 0.00 H new ATOM 1383 N GLY A 89 8.088 -0.769 2.826 1.00 0.00 N ATOM 1384 CA GLY A 89 8.626 -1.804 1.961 1.00 0.00 C ATOM 1385 C GLY A 89 7.705 -3.013 1.842 1.00 0.00 C ATOM 1386 O GLY A 89 7.975 -3.867 1.003 1.00 0.00 O ATOM 0 H GLY A 89 8.491 -0.776 3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.801 -1.387 0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.593 -2.127 2.346 1.00 0.00 H new ATOM 1390 N ASP A 90 6.648 -3.118 2.652 1.00 0.00 N ATOM 1391 CA ASP A 90 5.485 -3.944 2.322 1.00 0.00 C ATOM 1392 C ASP A 90 4.777 -3.211 1.178 1.00 0.00 C ATOM 1393 O ASP A 90 4.637 -3.747 0.084 1.00 0.00 O ATOM 1394 CB ASP A 90 4.574 -4.119 3.559 1.00 0.00 C ATOM 1395 CG ASP A 90 3.749 -5.410 3.643 1.00 0.00 C ATOM 1396 OD1 ASP A 90 3.701 -6.233 2.708 1.00 0.00 O ATOM 1397 OD2 ASP A 90 3.135 -5.614 4.714 1.00 0.00 O ATOM 0 H ASP A 90 6.575 -2.637 3.548 1.00 0.00 H new ATOM 0 HA ASP A 90 5.764 -4.953 2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.199 -4.058 4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.885 -3.275 3.594 1.00 0.00 H new ATOM 1402 N LEU A 91 4.415 -1.934 1.397 1.00 0.00 N ATOM 1403 CA LEU A 91 3.651 -1.118 0.451 1.00 0.00 C ATOM 1404 C LEU A 91 4.252 -1.153 -0.951 1.00 0.00 C ATOM 1405 O LEU A 91 3.561 -1.550 -1.880 1.00 0.00 O ATOM 1406 CB LEU A 91 3.449 0.330 0.952 1.00 0.00 C ATOM 1407 CG LEU A 91 2.652 1.199 -0.046 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.293 0.648 -0.493 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.411 2.577 0.563 1.00 0.00 C ATOM 0 H LEU A 91 4.653 -1.436 2.255 1.00 0.00 H new ATOM 0 HA LEU A 91 2.660 -1.568 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.926 0.310 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.422 0.788 1.130 1.00 0.00 H new ATOM 0 HG LEU A 91 3.278 1.221 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.830 1.345 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.434 -0.316 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.647 0.523 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.849 3.192 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.844 2.472 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.368 3.053 0.776 1.00 0.00 H new ATOM 1421 N VAL A 92 5.506 -0.733 -1.114 1.00 0.00 N ATOM 1422 CA VAL A 92 6.208 -0.697 -2.393 1.00 0.00 C ATOM 1423 C VAL A 92 6.100 -2.043 -3.107 1.00 0.00 C ATOM 1424 O VAL A 92 5.827 -2.066 -4.304 1.00 0.00 O ATOM 1425 CB VAL A 92 7.676 -0.301 -2.138 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.649 -0.707 -3.250 1.00 0.00 C ATOM 1427 CG2 VAL A 92 7.782 1.187 -1.815 1.00 0.00 C ATOM 0 H VAL A 92 6.076 -0.399 -0.337 1.00 0.00 H new ATOM 0 HA VAL A 92 5.751 0.044 -3.049 1.00 0.00 H new ATOM 0 HB VAL A 92 7.992 -0.880 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.657 -0.388 -2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.631 -1.790 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.352 -0.232 -4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.826 1.447 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.400 1.769 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.197 1.408 -0.923 1.00 0.00 H new ATOM 1437 N ASP A 93 6.324 -3.140 -2.386 1.00 0.00 N ATOM 1438 CA ASP A 93 6.383 -4.487 -2.950 1.00 0.00 C ATOM 1439 C ASP A 93 5.100 -4.779 -3.724 1.00 0.00 C ATOM 1440 O ASP A 93 5.107 -5.083 -4.921 1.00 0.00 O ATOM 1441 CB ASP A 93 6.561 -5.517 -1.824 1.00 0.00 C ATOM 1442 CG ASP A 93 7.064 -6.872 -2.335 1.00 0.00 C ATOM 1443 OD1 ASP A 93 7.900 -6.885 -3.272 1.00 0.00 O ATOM 1444 OD2 ASP A 93 6.693 -7.928 -1.779 1.00 0.00 O ATOM 0 H ASP A 93 6.472 -3.117 -1.377 1.00 0.00 H new ATOM 0 HA ASP A 93 7.233 -4.554 -3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.264 -5.127 -1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.609 -5.657 -1.312 1.00 0.00 H new ATOM 1449 N LEU A 94 3.986 -4.614 -3.020 1.00 0.00 N ATOM 1450 CA LEU A 94 2.632 -4.785 -3.485 1.00 0.00 C ATOM 1451 C LEU A 94 2.294 -3.736 -4.537 1.00 0.00 C ATOM 1452 O LEU A 94 1.608 -4.065 -5.503 1.00 0.00 O ATOM 1453 CB LEU A 94 1.727 -4.681 -2.251 1.00 0.00 C ATOM 1454 CG LEU A 94 1.886 -5.918 -1.342 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.716 -5.504 0.112 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.862 -6.979 -1.725 1.00 0.00 C ATOM 0 H LEU A 94 4.018 -4.337 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 94 2.491 -5.752 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.973 -3.779 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.687 -4.587 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 94 2.882 -6.342 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.828 -6.377 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.473 -4.764 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.725 -5.074 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.980 -7.849 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.143 -6.574 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.015 -7.274 -2.763 1.00 0.00 H new ATOM 1468 N LEU A 95 2.733 -2.486 -4.384 1.00 0.00 N ATOM 1469 CA LEU A 95 2.486 -1.434 -5.373 1.00 0.00 C ATOM 1470 C LEU A 95 3.078 -1.817 -6.724 1.00 0.00 C ATOM 1471 O LEU A 95 2.387 -1.722 -7.736 1.00 0.00 O ATOM 1472 CB LEU A 95 3.040 -0.068 -4.946 1.00 0.00 C ATOM 1473 CG LEU A 95 2.229 0.682 -3.884 1.00 0.00 C ATOM 1474 CD1 LEU A 95 2.909 2.032 -3.629 1.00 0.00 C ATOM 1475 CD2 LEU A 95 0.764 0.886 -4.277 1.00 0.00 C ATOM 0 H LEU A 95 3.268 -2.174 -3.574 1.00 0.00 H new ATOM 0 HA LEU A 95 1.403 -1.340 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.053 -0.210 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.116 0.564 -5.831 1.00 0.00 H new ATOM 0 HG LEU A 95 2.211 0.076 -2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.349 2.585 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.927 1.866 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.936 2.606 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.246 1.423 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.712 1.464 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.290 -0.084 -4.429 1.00 0.00 H new ATOM 1487 N VAL A 96 4.327 -2.283 -6.766 1.00 0.00 N ATOM 1488 CA VAL A 96 4.928 -2.753 -8.009 1.00 0.00 C ATOM 1489 C VAL A 96 4.089 -3.909 -8.576 1.00 0.00 C ATOM 1490 O VAL A 96 3.919 -3.988 -9.799 1.00 0.00 O ATOM 1491 CB VAL A 96 6.410 -3.127 -7.777 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.066 -3.682 -9.047 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.245 -1.906 -7.354 1.00 0.00 C ATOM 0 H VAL A 96 4.940 -2.344 -5.953 1.00 0.00 H new ATOM 0 HA VAL A 96 4.927 -1.960 -8.757 1.00 0.00 H new ATOM 0 HB VAL A 96 6.397 -3.881 -6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.106 -3.932 -8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.535 -4.578 -9.369 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.024 -2.931 -9.836 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.281 -2.209 -7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.201 -1.147 -8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.846 -1.496 -6.426 1.00 0.00 H new ATOM 1503 N GLN A 97 3.509 -4.769 -7.725 1.00 0.00 N ATOM 1504 CA GLN A 97 2.734 -5.908 -8.198 1.00 0.00 C ATOM 1505 C GLN A 97 1.508 -5.428 -8.990 1.00 0.00 C ATOM 1506 O GLN A 97 1.202 -5.992 -10.041 1.00 0.00 O ATOM 1507 CB GLN A 97 2.409 -6.900 -7.053 1.00 0.00 C ATOM 1508 CG GLN A 97 0.919 -7.041 -6.691 1.00 0.00 C ATOM 1509 CD GLN A 97 0.619 -8.174 -5.721 1.00 0.00 C ATOM 1510 OE1 GLN A 97 1.502 -8.804 -5.150 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -0.651 -8.455 -5.514 1.00 0.00 N ATOM 0 H GLN A 97 3.566 -4.691 -6.710 1.00 0.00 H new ATOM 0 HA GLN A 97 3.340 -6.486 -8.896 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.791 -7.883 -7.330 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.952 -6.587 -6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.572 -6.104 -6.256 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.348 -7.199 -7.606 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.376 -7.923 -5.995 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.909 -9.204 -4.872 1.00 0.00 H new ATOM 1520 N ILE A 98 0.812 -4.392 -8.509 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.387 -3.838 -9.147 1.00 0.00 C ATOM 1522 C ILE A 98 -0.046 -2.840 -10.267 1.00 0.00 C ATOM 1523 O ILE A 98 -0.968 -2.211 -10.784 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.367 -3.250 -8.104 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.704 -2.132 -7.290 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.914 -4.367 -7.198 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.713 -1.258 -6.547 1.00 0.00 C ATOM 0 H ILE A 98 1.071 -3.907 -7.650 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.903 -4.667 -9.632 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.209 -2.803 -8.632 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.014 -2.573 -6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.111 -1.506 -7.957 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.602 -3.940 -6.469 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.440 -5.103 -7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.088 -4.850 -6.677 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.184 -0.485 -5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.387 -0.790 -7.265 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.289 -1.874 -5.856 1.00 0.00 H new ATOM 1539 N GLU A 99 1.233 -2.706 -10.643 1.00 0.00 N ATOM 1540 CA GLU A 99 1.759 -1.821 -11.689 1.00 0.00 C ATOM 1541 C GLU A 99 1.823 -0.350 -11.238 1.00 0.00 C ATOM 1542 O GLU A 99 2.026 0.555 -12.050 1.00 0.00 O ATOM 1543 CB GLU A 99 0.989 -1.992 -13.018 1.00 0.00 C ATOM 1544 CG GLU A 99 1.914 -1.704 -14.209 1.00 0.00 C ATOM 1545 CD GLU A 99 1.216 -1.479 -15.549 1.00 0.00 C ATOM 1546 OE1 GLU A 99 -0.027 -1.370 -15.636 1.00 0.00 O ATOM 1547 OE2 GLU A 99 1.953 -1.323 -16.552 1.00 0.00 O ATOM 0 H GLU A 99 1.974 -3.247 -10.196 1.00 0.00 H new ATOM 0 HA GLU A 99 2.789 -2.126 -11.873 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.596 -3.006 -13.091 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.134 -1.316 -13.041 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.510 -0.821 -13.978 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.608 -2.538 -14.317 1.00 0.00 H new ATOM 1554 N LEU A 100 1.667 -0.073 -9.942 1.00 0.00 N ATOM 1555 CA LEU A 100 1.648 1.289 -9.413 1.00 0.00 C ATOM 1556 C LEU A 100 3.082 1.729 -9.139 1.00 0.00 C ATOM 1557 O LEU A 100 3.519 1.920 -8.001 1.00 0.00 O ATOM 1558 CB LEU A 100 0.731 1.406 -8.187 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.716 1.852 -8.485 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.764 3.302 -8.984 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.445 0.966 -9.499 1.00 0.00 C ATOM 0 H LEU A 100 1.550 -0.792 -9.228 1.00 0.00 H new ATOM 0 HA LEU A 100 1.221 1.968 -10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.699 0.439 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.175 2.115 -7.488 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.233 1.759 -7.530 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.798 3.584 -9.184 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.349 3.963 -8.223 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.180 3.391 -9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.455 1.346 -9.654 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.905 0.976 -10.446 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.495 -0.055 -9.120 1.00 0.00 H new ATOM 1573 N PHE A 101 3.834 1.887 -10.220 1.00 0.00 N ATOM 1574 CA PHE A 101 5.238 2.204 -10.154 1.00 0.00 C ATOM 1575 C PHE A 101 5.447 3.606 -9.606 1.00 0.00 C ATOM 1576 O PHE A 101 6.251 3.756 -8.700 1.00 0.00 O ATOM 1577 CB PHE A 101 5.919 2.039 -11.520 1.00 0.00 C ATOM 1578 CG PHE A 101 5.758 0.680 -12.182 1.00 0.00 C ATOM 1579 CD1 PHE A 101 5.846 -0.517 -11.438 1.00 0.00 C ATOM 1580 CD2 PHE A 101 5.511 0.618 -13.567 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.634 -1.754 -12.072 1.00 0.00 C ATOM 1582 CE2 PHE A 101 5.321 -0.620 -14.199 1.00 0.00 C ATOM 1583 CZ PHE A 101 5.373 -1.806 -13.449 1.00 0.00 C ATOM 0 H PHE A 101 3.476 1.796 -11.171 1.00 0.00 H new ATOM 0 HA PHE A 101 5.706 1.496 -9.470 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.525 2.799 -12.195 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.984 2.239 -11.400 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.076 -0.482 -10.383 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.468 1.529 -14.146 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.672 -2.667 -11.497 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.135 -0.661 -15.262 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.212 -2.758 -13.933 1.00 0.00 H new ATOM 1593 N ALA A 102 4.726 4.623 -10.088 1.00 0.00 N ATOM 1594 CA ALA A 102 4.905 6.004 -9.635 1.00 0.00 C ATOM 1595 C ALA A 102 4.971 6.135 -8.103 1.00 0.00 C ATOM 1596 O ALA A 102 5.957 6.690 -7.612 1.00 0.00 O ATOM 1597 CB ALA A 102 3.858 6.926 -10.259 1.00 0.00 C ATOM 0 H ALA A 102 4.005 4.512 -10.801 1.00 0.00 H new ATOM 0 HA ALA A 102 5.883 6.330 -9.990 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.014 7.945 -9.906 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.951 6.900 -11.345 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.861 6.591 -9.972 1.00 0.00 H new ATOM 1603 N PRO A 103 3.990 5.653 -7.324 1.00 0.00 N ATOM 1604 CA PRO A 103 4.038 5.748 -5.870 1.00 0.00 C ATOM 1605 C PRO A 103 5.051 4.788 -5.226 1.00 0.00 C ATOM 1606 O PRO A 103 5.646 5.168 -4.218 1.00 0.00 O ATOM 1607 CB PRO A 103 2.617 5.483 -5.388 1.00 0.00 C ATOM 1608 CG PRO A 103 1.987 4.693 -6.525 1.00 0.00 C ATOM 1609 CD PRO A 103 2.703 5.162 -7.771 1.00 0.00 C ATOM 0 HA PRO A 103 4.388 6.736 -5.570 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.610 4.917 -4.456 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.079 6.412 -5.201 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.113 3.620 -6.378 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.916 4.882 -6.591 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.822 4.346 -8.484 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.138 5.947 -8.275 1.00 0.00 H new ATOM 1617 N ALA A 104 5.291 3.594 -5.789 1.00 0.00 N ATOM 1618 CA ALA A 104 6.379 2.705 -5.366 1.00 0.00 C ATOM 1619 C ALA A 104 7.697 3.485 -5.437 1.00 0.00 C ATOM 1620 O ALA A 104 8.449 3.515 -4.466 1.00 0.00 O ATOM 1621 CB ALA A 104 6.418 1.468 -6.273 1.00 0.00 C ATOM 0 H ALA A 104 4.732 3.218 -6.554 1.00 0.00 H new ATOM 0 HA ALA A 104 6.220 2.364 -4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.227 0.810 -5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.469 0.936 -6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.585 1.778 -7.304 1.00 0.00 H new ATOM 1627 N THR A 105 7.953 4.176 -6.550 1.00 0.00 N ATOM 1628 CA THR A 105 9.178 4.918 -6.762 1.00 0.00 C ATOM 1629 C THR A 105 9.254 6.120 -5.819 1.00 0.00 C ATOM 1630 O THR A 105 10.335 6.456 -5.340 1.00 0.00 O ATOM 1631 CB THR A 105 9.217 5.398 -8.220 1.00 0.00 C ATOM 1632 OG1 THR A 105 8.960 4.353 -9.131 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.547 6.024 -8.623 1.00 0.00 C ATOM 0 H THR A 105 7.302 4.231 -7.333 1.00 0.00 H new ATOM 0 HA THR A 105 10.030 4.270 -6.556 1.00 0.00 H new ATOM 0 HB THR A 105 8.434 6.155 -8.266 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.000 4.159 -9.144 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.500 6.339 -9.665 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.748 6.889 -7.991 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.345 5.292 -8.501 1.00 0.00 H new ATOM 1641 N LEU A 106 8.126 6.788 -5.550 1.00 0.00 N ATOM 1642 CA LEU A 106 8.103 7.962 -4.688 1.00 0.00 C ATOM 1643 C LEU A 106 8.571 7.592 -3.279 1.00 0.00 C ATOM 1644 O LEU A 106 9.191 8.399 -2.582 1.00 0.00 O ATOM 1645 CB LEU A 106 6.668 8.523 -4.662 1.00 0.00 C ATOM 1646 CG LEU A 106 6.430 9.620 -3.611 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.298 10.853 -3.858 1.00 0.00 C ATOM 1648 CD2 LEU A 106 4.967 10.064 -3.632 1.00 0.00 C ATOM 0 H LEU A 106 7.213 6.528 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 106 8.782 8.723 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.431 8.924 -5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.974 7.703 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 106 6.693 9.188 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.095 11.600 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.350 10.571 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.069 11.269 -4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.812 10.841 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.720 10.456 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.325 9.212 -3.409 1.00 0.00 H new ATOM 1660 N LEU A 107 8.223 6.385 -2.843 1.00 0.00 N ATOM 1661 CA LEU A 107 8.593 5.849 -1.547 1.00 0.00 C ATOM 1662 C LEU A 107 10.030 5.354 -1.576 1.00 0.00 C ATOM 1663 O LEU A 107 10.802 5.745 -0.701 1.00 0.00 O ATOM 1664 CB LEU A 107 7.644 4.706 -1.185 1.00 0.00 C ATOM 1665 CG LEU A 107 6.210 5.194 -0.933 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.265 3.997 -0.974 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.086 5.972 0.386 1.00 0.00 C ATOM 0 H LEU A 107 7.662 5.740 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 107 8.515 6.633 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.639 3.972 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.014 4.198 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 107 5.935 5.896 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.244 4.334 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.325 3.520 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.551 3.281 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.054 6.297 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.376 5.328 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.740 6.843 0.357 1.00 0.00 H new ATOM 1679 N LEU A 108 10.373 4.498 -2.545 1.00 0.00 N ATOM 1680 CA LEU A 108 11.665 3.835 -2.634 1.00 0.00 C ATOM 1681 C LEU A 108 12.026 3.623 -4.113 1.00 0.00 C ATOM 1682 O LEU A 108 11.709 2.586 -4.696 1.00 0.00 O ATOM 1683 CB LEU A 108 11.599 2.520 -1.857 1.00 0.00 C ATOM 1684 CG LEU A 108 12.933 1.786 -1.659 1.00 0.00 C ATOM 1685 CD1 LEU A 108 14.000 2.669 -1.002 1.00 0.00 C ATOM 1686 CD2 LEU A 108 12.670 0.549 -0.786 1.00 0.00 C ATOM 0 H LEU A 108 9.740 4.246 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 108 12.451 4.447 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.170 2.722 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.912 1.850 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 108 13.321 1.505 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.922 2.100 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.188 3.540 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.650 2.996 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.604 0.009 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.267 0.862 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.953 -0.103 -1.285 1.00 0.00 H new ATOM 1698 N PRO A 109 12.698 4.590 -4.752 1.00 0.00 N ATOM 1699 CA PRO A 109 12.909 4.613 -6.193 1.00 0.00 C ATOM 1700 C PRO A 109 13.799 3.467 -6.662 1.00 0.00 C ATOM 1701 O PRO A 109 13.575 2.897 -7.725 1.00 0.00 O ATOM 1702 CB PRO A 109 13.502 5.994 -6.493 1.00 0.00 C ATOM 1703 CG PRO A 109 14.190 6.370 -5.184 1.00 0.00 C ATOM 1704 CD PRO A 109 13.272 5.757 -4.128 1.00 0.00 C ATOM 0 HA PRO A 109 11.979 4.462 -6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.208 5.957 -7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 109 12.729 6.714 -6.763 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.200 5.963 -5.127 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.275 7.450 -5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 109 13.829 5.489 -3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.498 6.461 -3.824 1.00 0.00 H new ATOM 1712 N ASP A 110 14.781 3.098 -5.848 1.00 0.00 N ATOM 1713 CA ASP A 110 15.742 2.043 -6.127 1.00 0.00 C ATOM 1714 C ASP A 110 15.092 0.654 -6.187 1.00 0.00 C ATOM 1715 O ASP A 110 15.640 -0.222 -6.853 1.00 0.00 O ATOM 1716 CB ASP A 110 16.806 2.150 -5.034 1.00 0.00 C ATOM 1717 CG ASP A 110 17.768 0.969 -4.946 1.00 0.00 C ATOM 1718 OD1 ASP A 110 18.829 0.984 -5.604 1.00 0.00 O ATOM 1719 OD2 ASP A 110 17.564 0.152 -4.015 1.00 0.00 O ATOM 0 H ASP A 110 14.934 3.543 -4.943 1.00 0.00 H new ATOM 0 HA ASP A 110 16.185 2.168 -7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 110 17.385 3.058 -5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.306 2.263 -4.072 1.00 0.00 H new ATOM 1724 N ALA A 111 13.931 0.449 -5.546 1.00 0.00 N ATOM 1725 CA ALA A 111 13.279 -0.859 -5.459 1.00 0.00 C ATOM 1726 C ALA A 111 12.476 -1.241 -6.703 1.00 0.00 C ATOM 1727 O ALA A 111 12.302 -2.430 -6.969 1.00 0.00 O ATOM 1728 CB ALA A 111 12.332 -0.863 -4.256 1.00 0.00 C ATOM 0 H ALA A 111 13.418 1.193 -5.072 1.00 0.00 H new ATOM 0 HA ALA A 111 14.079 -1.593 -5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.841 -1.833 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.900 -0.674 -3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.580 -0.085 -4.383 1.00 0.00 H new ATOM 1734 N VAL A 112 11.933 -0.278 -7.447 1.00 0.00 N ATOM 1735 CA VAL A 112 11.137 -0.613 -8.620 1.00 0.00 C ATOM 1736 C VAL A 112 12.103 -1.079 -9.726 1.00 0.00 C ATOM 1737 O VAL A 112 13.117 -0.413 -9.959 1.00 0.00 O ATOM 1738 CB VAL A 112 10.216 0.565 -8.994 1.00 0.00 C ATOM 1739 CG1 VAL A 112 10.954 1.873 -9.317 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.265 0.190 -10.134 1.00 0.00 C ATOM 0 H VAL A 112 12.028 0.720 -7.261 1.00 0.00 H new ATOM 0 HA VAL A 112 10.450 -1.438 -8.435 1.00 0.00 H new ATOM 0 HB VAL A 112 9.637 0.765 -8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.229 2.647 -9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.534 2.187 -8.449 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.624 1.714 -10.162 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.630 1.043 -10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.844 -0.089 -11.014 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.643 -0.651 -9.827 1.00 0.00 H new ATOM 1750 N PRO A 113 11.832 -2.195 -10.426 1.00 0.00 N ATOM 1751 CA PRO A 113 12.654 -2.604 -11.554 1.00 0.00 C ATOM 1752 C PRO A 113 12.479 -1.633 -12.723 1.00 0.00 C ATOM 1753 O PRO A 113 13.463 -1.288 -13.379 1.00 0.00 O ATOM 1754 CB PRO A 113 12.232 -4.040 -11.884 1.00 0.00 C ATOM 1755 CG PRO A 113 10.807 -4.140 -11.342 1.00 0.00 C ATOM 1756 CD PRO A 113 10.806 -3.185 -10.147 1.00 0.00 C ATOM 0 HA PRO A 113 13.720 -2.581 -11.326 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.265 -4.229 -12.957 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.891 -4.768 -11.411 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.072 -3.845 -12.091 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.564 -5.159 -11.041 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.831 -2.713 -10.025 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.020 -3.718 -9.221 1.00 0.00 H new