USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 856 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 121 MET CE :methyl -143:sc= -0.144 (180deg=-1.33) USER MOD Set 1.2: A 129 THR OG1 : rot 75:sc= 1.24 USER MOD Set 2.1: A 31 HIS : no HE2:sc= 0.0534 K(o=0.93,f=-0.53) USER MOD Set 2.2: A 43 SER OG : rot -100:sc= 0.874 USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.787 K(o=0.79,f=-8.6!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 53 THR OG1 : rot -110:sc= -0.88 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 96 THR OG1 : rot 93:sc= 0.956 USER MOD Single : A 100 GLN : amide:sc= -0.979 X(o=-0.98,f=-0.73) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 107 GLN : amide:sc= 0.743 K(o=0.74,f=-5.7!) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -141:sc= -0.879 USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 130 TYR OH : rot -129:sc= 0.324 USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 134 MET CE :methyl -172:sc= -0.268 (180deg=-0.622) USER MOD ----------------------------------------------------------------- ATOM 153 N LEU A 11 13.482 -1.684 -7.508 1.00 0.00 N ATOM 154 CA LEU A 11 12.604 -0.538 -7.697 1.00 0.00 C ATOM 155 C LEU A 11 11.149 -0.977 -7.740 1.00 0.00 C ATOM 156 O LEU A 11 10.285 -0.345 -7.128 1.00 0.00 O ATOM 157 CB LEU A 11 12.968 0.210 -8.983 1.00 0.00 C ATOM 158 CG LEU A 11 14.378 0.803 -9.013 1.00 0.00 C ATOM 159 CD1 LEU A 11 14.640 1.488 -10.345 1.00 0.00 C ATOM 160 CD2 LEU A 11 14.574 1.779 -7.861 1.00 0.00 C ATOM 0 HA LEU A 11 12.737 0.136 -6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.860 -0.474 -9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.249 1.015 -9.132 1.00 0.00 H new ATOM 0 HG LEU A 11 15.095 -0.010 -8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.648 1.904 -10.348 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.544 0.762 -11.152 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.916 2.290 -10.490 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.583 2.190 -7.900 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.849 2.589 -7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.431 1.258 -6.914 1.00 0.00 H new ATOM 172 N ASN A 12 10.901 -2.074 -8.450 1.00 0.00 N ATOM 173 CA ASN A 12 9.553 -2.613 -8.622 1.00 0.00 C ATOM 174 C ASN A 12 8.663 -1.602 -9.338 1.00 0.00 C ATOM 175 O ASN A 12 7.984 -0.787 -8.710 1.00 0.00 O ATOM 176 CB ASN A 12 8.942 -3.009 -7.273 1.00 0.00 C ATOM 177 CG ASN A 12 9.721 -4.105 -6.571 1.00 0.00 C ATOM 178 OD1 ASN A 12 10.291 -4.992 -7.210 1.00 0.00 O ATOM 179 ND2 ASN A 12 9.765 -4.044 -5.249 1.00 0.00 N ATOM 0 H ASN A 12 11.626 -2.614 -8.922 1.00 0.00 H new ATOM 0 HA ASN A 12 9.623 -3.511 -9.236 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.898 -2.131 -6.628 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.916 -3.342 -7.428 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.284 -4.747 -4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.280 -3.294 -4.757 1.00 0.00 H new ATOM 186 N THR A 13 8.680 -1.655 -10.658 1.00 0.00 N ATOM 187 CA THR A 13 7.968 -0.689 -11.471 1.00 0.00 C ATOM 188 C THR A 13 6.735 -1.314 -12.111 1.00 0.00 C ATOM 189 O THR A 13 6.839 -2.275 -12.877 1.00 0.00 O ATOM 190 CB THR A 13 8.884 -0.120 -12.574 1.00 0.00 C ATOM 191 OG1 THR A 13 10.073 0.426 -11.985 1.00 0.00 O ATOM 192 CG2 THR A 13 8.171 0.960 -13.377 1.00 0.00 C ATOM 0 H THR A 13 9.184 -2.363 -11.192 1.00 0.00 H new ATOM 0 HA THR A 13 7.653 0.121 -10.814 1.00 0.00 H new ATOM 0 HB THR A 13 9.147 -0.934 -13.250 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.652 0.784 -12.690 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.841 1.343 -14.147 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.282 0.538 -13.846 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.879 1.774 -12.713 1.00 0.00 H new ATOM 200 N VAL A 14 5.571 -0.776 -11.779 1.00 0.00 N ATOM 201 CA VAL A 14 4.329 -1.205 -12.397 1.00 0.00 C ATOM 202 C VAL A 14 4.303 -0.766 -13.858 1.00 0.00 C ATOM 203 O VAL A 14 4.054 0.401 -14.163 1.00 0.00 O ATOM 204 CB VAL A 14 3.102 -0.622 -11.664 1.00 0.00 C ATOM 205 CG1 VAL A 14 1.806 -1.151 -12.260 1.00 0.00 C ATOM 206 CG2 VAL A 14 3.171 -0.931 -10.176 1.00 0.00 C ATOM 0 H VAL A 14 5.462 -0.039 -11.082 1.00 0.00 H new ATOM 0 HA VAL A 14 4.280 -2.292 -12.332 1.00 0.00 H new ATOM 0 HB VAL A 14 3.116 0.460 -11.794 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.958 -0.724 -11.724 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.749 -0.872 -13.312 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.781 -2.237 -12.171 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.298 -0.512 -9.676 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.190 -2.011 -10.029 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.075 -0.492 -9.755 1.00 0.00 H new ATOM 216 N THR A 15 4.592 -1.697 -14.751 1.00 0.00 N ATOM 217 CA THR A 15 4.664 -1.397 -16.168 1.00 0.00 C ATOM 218 C THR A 15 3.272 -1.328 -16.798 1.00 0.00 C ATOM 219 O THR A 15 3.070 -0.654 -17.811 1.00 0.00 O ATOM 220 CB THR A 15 5.531 -2.439 -16.896 1.00 0.00 C ATOM 221 OG1 THR A 15 5.430 -3.706 -16.232 1.00 0.00 O ATOM 222 CG2 THR A 15 6.989 -2.004 -16.936 1.00 0.00 C ATOM 0 H THR A 15 4.781 -2.671 -14.517 1.00 0.00 H new ATOM 0 HA THR A 15 5.127 -0.416 -16.276 1.00 0.00 H new ATOM 0 HB THR A 15 5.167 -2.528 -17.919 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.717 -4.236 -16.646 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.580 -2.758 -17.456 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.071 -1.053 -17.462 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.362 -1.889 -15.918 1.00 0.00 H new ATOM 230 N ALA A 16 2.315 -2.019 -16.190 1.00 0.00 N ATOM 231 CA ALA A 16 0.934 -1.973 -16.644 1.00 0.00 C ATOM 232 C ALA A 16 -0.019 -2.325 -15.509 1.00 0.00 C ATOM 233 O ALA A 16 0.327 -3.094 -14.613 1.00 0.00 O ATOM 234 CB ALA A 16 0.721 -2.915 -17.822 1.00 0.00 C ATOM 0 H ALA A 16 2.472 -2.618 -15.380 1.00 0.00 H new ATOM 0 HA ALA A 16 0.721 -0.955 -16.972 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.319 -2.864 -18.145 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.372 -2.621 -18.646 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.958 -3.935 -17.520 1.00 0.00 H new ATOM 240 N TYR A 17 -1.215 -1.758 -15.549 1.00 0.00 N ATOM 241 CA TYR A 17 -2.237 -2.062 -14.558 1.00 0.00 C ATOM 242 C TYR A 17 -3.027 -3.284 -14.998 1.00 0.00 C ATOM 243 O TYR A 17 -3.764 -3.880 -14.211 1.00 0.00 O ATOM 244 CB TYR A 17 -3.171 -0.868 -14.352 1.00 0.00 C ATOM 245 CG TYR A 17 -2.483 0.349 -13.769 1.00 0.00 C ATOM 246 CD1 TYR A 17 -2.159 0.408 -12.419 1.00 0.00 C ATOM 247 CD2 TYR A 17 -2.161 1.438 -14.570 1.00 0.00 C ATOM 248 CE1 TYR A 17 -1.529 1.516 -11.884 1.00 0.00 C ATOM 249 CE2 TYR A 17 -1.532 2.551 -14.043 1.00 0.00 C ATOM 250 CZ TYR A 17 -1.220 2.585 -12.699 1.00 0.00 C ATOM 251 OH TYR A 17 -0.595 3.692 -12.169 1.00 0.00 O ATOM 0 H TYR A 17 -1.503 -1.084 -16.258 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.749 -2.273 -13.606 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.618 -0.598 -15.309 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.986 -1.165 -13.692 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.403 -0.426 -11.777 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.406 1.415 -15.622 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.280 1.544 -10.833 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.286 3.388 -14.679 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.447 4.354 -12.876 1.00 0.00 H new ATOM 261 N GLY A 18 -2.874 -3.629 -16.272 1.00 0.00 N ATOM 262 CA GLY A 18 -3.452 -4.845 -16.805 1.00 0.00 C ATOM 263 C GLY A 18 -4.966 -4.819 -16.850 1.00 0.00 C ATOM 264 O GLY A 18 -5.584 -3.754 -16.792 1.00 0.00 O ATOM 0 H GLY A 18 -2.351 -3.077 -16.952 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.068 -5.011 -17.812 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.128 -5.690 -16.197 1.00 0.00 H new ATOM 268 N ASP A 19 -5.555 -5.999 -16.965 1.00 0.00 N ATOM 269 CA ASP A 19 -7.003 -6.143 -16.981 1.00 0.00 C ATOM 270 C ASP A 19 -7.400 -7.345 -16.132 1.00 0.00 C ATOM 271 O ASP A 19 -7.490 -8.472 -16.624 1.00 0.00 O ATOM 272 CB ASP A 19 -7.514 -6.304 -18.418 1.00 0.00 C ATOM 273 CG ASP A 19 -9.028 -6.345 -18.505 1.00 0.00 C ATOM 274 OD1 ASP A 19 -9.656 -5.269 -18.510 1.00 0.00 O ATOM 275 OD2 ASP A 19 -9.598 -7.454 -18.588 1.00 0.00 O ATOM 0 H ASP A 19 -5.047 -6.879 -17.049 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.457 -5.244 -16.564 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.142 -5.478 -19.025 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.106 -7.221 -18.843 1.00 0.00 H new ATOM 280 N GLY A 20 -7.571 -7.105 -14.839 1.00 0.00 N ATOM 281 CA GLY A 20 -7.886 -8.178 -13.916 1.00 0.00 C ATOM 282 C GLY A 20 -6.649 -8.680 -13.198 1.00 0.00 C ATOM 283 O GLY A 20 -6.727 -9.547 -12.327 1.00 0.00 O ATOM 0 H GLY A 20 -7.497 -6.182 -14.411 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.614 -7.827 -13.185 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.351 -9.001 -14.459 1.00 0.00 H new ATOM 287 N TYR A 21 -5.507 -8.121 -13.571 1.00 0.00 N ATOM 288 CA TYR A 21 -4.223 -8.489 -12.992 1.00 0.00 C ATOM 289 C TYR A 21 -3.219 -7.370 -13.233 1.00 0.00 C ATOM 290 O TYR A 21 -3.297 -6.679 -14.248 1.00 0.00 O ATOM 291 CB TYR A 21 -3.711 -9.808 -13.590 1.00 0.00 C ATOM 292 CG TYR A 21 -3.639 -9.818 -15.106 1.00 0.00 C ATOM 293 CD1 TYR A 21 -2.538 -9.302 -15.778 1.00 0.00 C ATOM 294 CD2 TYR A 21 -4.680 -10.344 -15.862 1.00 0.00 C ATOM 295 CE1 TYR A 21 -2.476 -9.310 -17.158 1.00 0.00 C ATOM 296 CE2 TYR A 21 -4.624 -10.357 -17.241 1.00 0.00 C ATOM 297 CZ TYR A 21 -3.523 -9.838 -17.883 1.00 0.00 C ATOM 298 OH TYR A 21 -3.464 -9.851 -19.258 1.00 0.00 O ATOM 0 H TYR A 21 -5.445 -7.397 -14.286 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.349 -8.635 -11.919 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.719 -10.015 -13.189 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.362 -10.619 -13.263 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.717 -8.888 -15.212 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.547 -10.749 -15.362 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.613 -8.905 -17.666 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.440 -10.772 -17.813 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.280 -10.258 -19.617 1.00 0.00 H new ATOM 308 N ILE A 22 -2.284 -7.197 -12.312 1.00 0.00 N ATOM 309 CA ILE A 22 -1.311 -6.116 -12.408 1.00 0.00 C ATOM 310 C ILE A 22 -0.010 -6.628 -13.019 1.00 0.00 C ATOM 311 O ILE A 22 0.445 -7.721 -12.696 1.00 0.00 O ATOM 312 CB ILE A 22 -1.030 -5.489 -11.023 1.00 0.00 C ATOM 313 CG1 ILE A 22 -2.344 -5.052 -10.369 1.00 0.00 C ATOM 314 CG2 ILE A 22 -0.077 -4.304 -11.153 1.00 0.00 C ATOM 315 CD1 ILE A 22 -2.172 -4.471 -8.983 1.00 0.00 C ATOM 0 H ILE A 22 -2.177 -7.790 -11.489 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.732 -5.345 -13.053 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.555 -6.239 -10.390 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.827 -4.311 -11.006 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.014 -5.910 -10.313 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.108 -3.876 -10.168 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.865 -4.641 -11.586 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.523 -3.548 -11.799 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.146 -4.185 -8.585 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.718 -5.216 -8.330 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.528 -3.593 -9.034 1.00 0.00 H new ATOM 327 N GLU A 23 0.582 -5.839 -13.898 1.00 0.00 N ATOM 328 CA GLU A 23 1.774 -6.259 -14.614 1.00 0.00 C ATOM 329 C GLU A 23 2.983 -5.459 -14.128 1.00 0.00 C ATOM 330 O GLU A 23 3.091 -4.257 -14.381 1.00 0.00 O ATOM 331 CB GLU A 23 1.542 -6.068 -16.116 1.00 0.00 C ATOM 332 CG GLU A 23 2.399 -6.945 -17.012 1.00 0.00 C ATOM 333 CD GLU A 23 3.814 -6.440 -17.168 1.00 0.00 C ATOM 334 OE1 GLU A 23 3.994 -5.313 -17.670 1.00 0.00 O ATOM 335 OE2 GLU A 23 4.753 -7.171 -16.803 1.00 0.00 O ATOM 0 H GLU A 23 0.256 -4.902 -14.134 1.00 0.00 H new ATOM 0 HA GLU A 23 1.978 -7.313 -14.423 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.493 -6.266 -16.335 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.729 -5.024 -16.368 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.424 -7.955 -16.603 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.934 -7.011 -17.996 1.00 0.00 H new ATOM 342 N VAL A 24 3.880 -6.130 -13.413 1.00 0.00 N ATOM 343 CA VAL A 24 5.029 -5.473 -12.797 1.00 0.00 C ATOM 344 C VAL A 24 6.329 -6.191 -13.157 1.00 0.00 C ATOM 345 O VAL A 24 6.559 -7.322 -12.727 1.00 0.00 O ATOM 346 CB VAL A 24 4.892 -5.424 -11.255 1.00 0.00 C ATOM 347 CG1 VAL A 24 6.079 -4.711 -10.622 1.00 0.00 C ATOM 348 CG2 VAL A 24 3.591 -4.750 -10.843 1.00 0.00 C ATOM 0 H VAL A 24 3.833 -7.135 -13.245 1.00 0.00 H new ATOM 0 HA VAL A 24 5.057 -4.455 -13.185 1.00 0.00 H new ATOM 0 HB VAL A 24 4.876 -6.452 -10.894 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.956 -4.691 -9.539 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.998 -5.241 -10.874 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.134 -3.690 -11.000 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.521 -4.729 -9.755 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.572 -3.730 -11.228 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.748 -5.307 -11.251 1.00 0.00 H new ATOM 358 N ASN A 25 7.159 -5.525 -13.960 1.00 0.00 N ATOM 359 CA ASN A 25 8.480 -6.041 -14.347 1.00 0.00 C ATOM 360 C ASN A 25 8.387 -7.446 -14.938 1.00 0.00 C ATOM 361 O ASN A 25 9.073 -8.368 -14.484 1.00 0.00 O ATOM 362 CB ASN A 25 9.450 -6.041 -13.157 1.00 0.00 C ATOM 363 CG ASN A 25 9.790 -4.647 -12.660 1.00 0.00 C ATOM 364 OD1 ASN A 25 9.147 -4.124 -11.752 1.00 0.00 O ATOM 365 ND2 ASN A 25 10.805 -4.031 -13.251 1.00 0.00 N ATOM 0 H ASN A 25 6.939 -4.614 -14.362 1.00 0.00 H new ATOM 0 HA ASN A 25 8.866 -5.370 -15.115 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.012 -6.614 -12.340 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.369 -6.550 -13.446 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.074 -3.093 -12.955 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.316 -4.496 -14.001 1.00 0.00 H new ATOM 372 N GLN A 26 7.520 -7.596 -15.939 1.00 0.00 N ATOM 373 CA GLN A 26 7.349 -8.852 -16.677 1.00 0.00 C ATOM 374 C GLN A 26 6.615 -9.910 -15.853 1.00 0.00 C ATOM 375 O GLN A 26 6.367 -11.015 -16.336 1.00 0.00 O ATOM 376 CB GLN A 26 8.697 -9.396 -17.173 1.00 0.00 C ATOM 377 CG GLN A 26 9.383 -8.491 -18.186 1.00 0.00 C ATOM 378 CD GLN A 26 10.767 -8.981 -18.571 1.00 0.00 C ATOM 379 OE1 GLN A 26 11.463 -9.609 -17.772 1.00 0.00 O ATOM 380 NE2 GLN A 26 11.177 -8.697 -19.798 1.00 0.00 N ATOM 0 H GLN A 26 6.911 -6.845 -16.265 1.00 0.00 H new ATOM 0 HA GLN A 26 6.729 -8.623 -17.544 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.359 -9.538 -16.319 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.541 -10.377 -17.622 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.765 -8.422 -19.081 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.461 -7.485 -17.774 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.571 -8.175 -20.430 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.099 -9.001 -20.111 1.00 0.00 H new ATOM 389 N VAL A 27 6.243 -9.571 -14.628 1.00 0.00 N ATOM 390 CA VAL A 27 5.499 -10.490 -13.780 1.00 0.00 C ATOM 391 C VAL A 27 4.062 -10.009 -13.622 1.00 0.00 C ATOM 392 O VAL A 27 3.819 -8.885 -13.182 1.00 0.00 O ATOM 393 CB VAL A 27 6.139 -10.637 -12.383 1.00 0.00 C ATOM 394 CG1 VAL A 27 5.416 -11.700 -11.567 1.00 0.00 C ATOM 395 CG2 VAL A 27 7.620 -10.963 -12.499 1.00 0.00 C ATOM 0 H VAL A 27 6.444 -8.668 -14.199 1.00 0.00 H new ATOM 0 HA VAL A 27 5.519 -11.465 -14.267 1.00 0.00 H new ATOM 0 HB VAL A 27 6.041 -9.684 -11.864 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.884 -11.787 -10.586 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.370 -11.417 -11.446 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.476 -12.658 -12.083 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.050 -11.062 -11.502 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.745 -11.899 -13.043 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.128 -10.162 -13.035 1.00 0.00 H new ATOM 405 N ARG A 28 3.114 -10.852 -13.992 1.00 0.00 N ATOM 406 CA ARG A 28 1.707 -10.503 -13.880 1.00 0.00 C ATOM 407 C ARG A 28 1.117 -11.071 -12.595 1.00 0.00 C ATOM 408 O ARG A 28 0.978 -12.285 -12.445 1.00 0.00 O ATOM 409 CB ARG A 28 0.929 -11.023 -15.091 1.00 0.00 C ATOM 410 CG ARG A 28 1.436 -10.477 -16.415 1.00 0.00 C ATOM 411 CD ARG A 28 0.666 -11.058 -17.588 1.00 0.00 C ATOM 412 NE ARG A 28 0.751 -12.517 -17.629 1.00 0.00 N ATOM 413 CZ ARG A 28 -0.257 -13.311 -17.979 1.00 0.00 C ATOM 414 NH1 ARG A 28 -1.424 -12.790 -18.336 1.00 0.00 N ATOM 415 NH2 ARG A 28 -0.091 -14.626 -17.978 1.00 0.00 N ATOM 0 H ARG A 28 3.291 -11.782 -14.372 1.00 0.00 H new ATOM 0 HA ARG A 28 1.625 -9.416 -13.851 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.986 -12.111 -15.110 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.123 -10.761 -14.977 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.345 -9.391 -16.421 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.496 -10.708 -16.523 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.380 -10.757 -17.520 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.057 -10.646 -18.518 1.00 0.00 H new ATOM 0 HE ARG A 28 1.637 -12.952 -17.374 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.550 -11.778 -18.343 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.195 -13.402 -18.604 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.808 -15.026 -17.709 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.862 -15.238 -18.246 1.00 0.00 H new ATOM 429 N PHE A 29 0.783 -10.187 -11.670 1.00 0.00 N ATOM 430 CA PHE A 29 0.210 -10.581 -10.396 1.00 0.00 C ATOM 431 C PHE A 29 -1.309 -10.548 -10.469 1.00 0.00 C ATOM 432 O PHE A 29 -1.909 -9.496 -10.696 1.00 0.00 O ATOM 433 CB PHE A 29 0.692 -9.651 -9.278 1.00 0.00 C ATOM 434 CG PHE A 29 2.182 -9.657 -9.070 1.00 0.00 C ATOM 435 CD1 PHE A 29 2.769 -10.558 -8.196 1.00 0.00 C ATOM 436 CD2 PHE A 29 2.993 -8.752 -9.738 1.00 0.00 C ATOM 437 CE1 PHE A 29 4.136 -10.555 -7.991 1.00 0.00 C ATOM 438 CE2 PHE A 29 4.361 -8.748 -9.539 1.00 0.00 C ATOM 439 CZ PHE A 29 4.933 -9.649 -8.665 1.00 0.00 C ATOM 0 H PHE A 29 0.901 -9.180 -11.781 1.00 0.00 H new ATOM 0 HA PHE A 29 0.536 -11.597 -10.175 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.372 -8.634 -9.504 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.205 -9.939 -8.346 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.152 -11.270 -7.669 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.551 -8.042 -10.421 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.581 -11.260 -7.305 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.982 -8.040 -10.068 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.001 -9.646 -8.508 1.00 0.00 H new ATOM 449 N SER A 30 -1.925 -11.703 -10.283 1.00 0.00 N ATOM 450 CA SER A 30 -3.373 -11.808 -10.301 1.00 0.00 C ATOM 451 C SER A 30 -3.932 -11.559 -8.903 1.00 0.00 C ATOM 452 O SER A 30 -5.144 -11.456 -8.710 1.00 0.00 O ATOM 453 CB SER A 30 -3.789 -13.195 -10.793 1.00 0.00 C ATOM 454 OG SER A 30 -3.066 -13.560 -11.958 1.00 0.00 O ATOM 0 H SER A 30 -1.441 -12.585 -10.117 1.00 0.00 H new ATOM 0 HA SER A 30 -3.775 -11.056 -10.980 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.615 -13.931 -10.008 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.858 -13.203 -11.007 1.00 0.00 H new ATOM 0 HG SER A 30 -3.348 -14.451 -12.252 1.00 0.00 H new ATOM 460 N HIS A 31 -3.031 -11.459 -7.934 1.00 0.00 N ATOM 461 CA HIS A 31 -3.415 -11.236 -6.547 1.00 0.00 C ATOM 462 C HIS A 31 -2.887 -9.889 -6.065 1.00 0.00 C ATOM 463 O HIS A 31 -1.974 -9.328 -6.670 1.00 0.00 O ATOM 464 CB HIS A 31 -2.900 -12.375 -5.649 1.00 0.00 C ATOM 465 CG HIS A 31 -1.400 -12.489 -5.565 1.00 0.00 C ATOM 466 ND1 HIS A 31 -0.659 -13.338 -6.358 1.00 0.00 N ATOM 467 CD2 HIS A 31 -0.509 -11.875 -4.750 1.00 0.00 C ATOM 468 CE1 HIS A 31 0.617 -13.242 -6.031 1.00 0.00 C ATOM 469 NE2 HIS A 31 0.739 -12.360 -5.056 1.00 0.00 N ATOM 0 H HIS A 31 -2.025 -11.529 -8.085 1.00 0.00 H new ATOM 0 HA HIS A 31 -4.503 -11.225 -6.486 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.296 -12.232 -4.643 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -3.301 -13.319 -6.018 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -1.037 -13.946 -7.084 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.739 -11.137 -3.996 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.427 -13.794 -6.486 1.00 0.00 H new ATOM 478 N ALA A 32 -3.458 -9.381 -4.978 1.00 0.00 N ATOM 479 CA ALA A 32 -3.055 -8.091 -4.431 1.00 0.00 C ATOM 480 C ALA A 32 -1.636 -8.158 -3.881 1.00 0.00 C ATOM 481 O ALA A 32 -1.215 -9.186 -3.349 1.00 0.00 O ATOM 482 CB ALA A 32 -4.027 -7.654 -3.347 1.00 0.00 C ATOM 0 H ALA A 32 -4.203 -9.844 -4.458 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.073 -7.354 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.715 -6.689 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.028 -7.565 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.036 -8.394 -2.546 1.00 0.00 H new ATOM 488 N ILE A 33 -0.901 -7.064 -4.010 1.00 0.00 N ATOM 489 CA ILE A 33 0.502 -7.037 -3.616 1.00 0.00 C ATOM 490 C ILE A 33 0.863 -5.736 -2.908 1.00 0.00 C ATOM 491 O ILE A 33 0.299 -4.680 -3.198 1.00 0.00 O ATOM 492 CB ILE A 33 1.436 -7.223 -4.833 1.00 0.00 C ATOM 493 CG1 ILE A 33 1.019 -6.285 -5.974 1.00 0.00 C ATOM 494 CG2 ILE A 33 1.436 -8.675 -5.293 1.00 0.00 C ATOM 495 CD1 ILE A 33 1.911 -6.373 -7.195 1.00 0.00 C ATOM 0 H ILE A 33 -1.251 -6.182 -4.384 1.00 0.00 H new ATOM 0 HA ILE A 33 0.643 -7.868 -2.925 1.00 0.00 H new ATOM 0 HB ILE A 33 2.452 -6.966 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.005 -6.517 -6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.021 -5.259 -5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.100 -8.785 -6.151 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.783 -9.314 -4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.425 -8.967 -5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.553 -5.681 -7.958 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.933 -6.112 -6.919 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.890 -7.389 -7.588 1.00 0.00 H new ATOM 507 N ALA A 34 1.797 -5.830 -1.974 1.00 0.00 N ATOM 508 CA ALA A 34 2.308 -4.668 -1.261 1.00 0.00 C ATOM 509 C ALA A 34 3.830 -4.664 -1.311 1.00 0.00 C ATOM 510 O ALA A 34 4.476 -5.533 -0.728 1.00 0.00 O ATOM 511 CB ALA A 34 1.818 -4.670 0.181 1.00 0.00 C ATOM 0 H ALA A 34 2.222 -6.712 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 34 1.937 -3.763 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.209 -3.795 0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.728 -4.643 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.165 -5.574 0.682 1.00 0.00 H new ATOM 517 N PHE A 35 4.403 -3.700 -2.013 1.00 0.00 N ATOM 518 CA PHE A 35 5.840 -3.695 -2.251 1.00 0.00 C ATOM 519 C PHE A 35 6.429 -2.294 -2.132 1.00 0.00 C ATOM 520 O PHE A 35 5.707 -1.296 -2.177 1.00 0.00 O ATOM 521 CB PHE A 35 6.152 -4.291 -3.630 1.00 0.00 C ATOM 522 CG PHE A 35 5.418 -3.639 -4.769 1.00 0.00 C ATOM 523 CD1 PHE A 35 4.120 -4.015 -5.082 1.00 0.00 C ATOM 524 CD2 PHE A 35 6.026 -2.659 -5.533 1.00 0.00 C ATOM 525 CE1 PHE A 35 3.446 -3.424 -6.132 1.00 0.00 C ATOM 526 CE2 PHE A 35 5.357 -2.064 -6.585 1.00 0.00 C ATOM 527 CZ PHE A 35 4.064 -2.448 -6.884 1.00 0.00 C ATOM 0 H PHE A 35 3.900 -2.915 -2.426 1.00 0.00 H new ATOM 0 HA PHE A 35 6.304 -4.312 -1.482 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.224 -4.213 -3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.908 -5.353 -3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.631 -4.780 -4.497 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.037 -2.355 -5.304 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.435 -3.726 -6.364 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.844 -1.300 -7.173 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.538 -1.984 -7.706 1.00 0.00 H new ATOM 537 N ALA A 36 7.745 -2.238 -1.968 1.00 0.00 N ATOM 538 CA ALA A 36 8.465 -0.981 -1.836 1.00 0.00 C ATOM 539 C ALA A 36 9.775 -1.041 -2.618 1.00 0.00 C ATOM 540 O ALA A 36 10.305 -2.127 -2.848 1.00 0.00 O ATOM 541 CB ALA A 36 8.735 -0.695 -0.367 1.00 0.00 C ATOM 0 H ALA A 36 8.342 -3.064 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 36 7.856 -0.175 -2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.274 0.247 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.789 -0.627 0.170 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.335 -1.500 0.056 1.00 0.00 H new ATOM 547 N PRO A 37 10.330 0.122 -3.016 1.00 0.00 N ATOM 548 CA PRO A 37 11.575 0.193 -3.791 1.00 0.00 C ATOM 549 C PRO A 37 12.808 -0.002 -2.914 1.00 0.00 C ATOM 550 O PRO A 37 13.943 0.217 -3.346 1.00 0.00 O ATOM 551 CB PRO A 37 11.565 1.614 -4.381 1.00 0.00 C ATOM 552 CG PRO A 37 10.273 2.237 -3.952 1.00 0.00 C ATOM 553 CD PRO A 37 9.797 1.460 -2.759 1.00 0.00 C ATOM 0 HA PRO A 37 11.624 -0.592 -4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.415 2.192 -4.018 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.641 1.584 -5.468 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.415 3.288 -3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.539 2.200 -4.757 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.178 1.876 -1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.709 1.456 -2.686 1.00 0.00 H new ATOM 561 N GLU A 38 12.573 -0.392 -1.675 1.00 0.00 N ATOM 562 CA GLU A 38 13.642 -0.637 -0.725 1.00 0.00 C ATOM 563 C GLU A 38 13.173 -1.672 0.295 1.00 0.00 C ATOM 564 O GLU A 38 13.718 -1.795 1.390 1.00 0.00 O ATOM 565 CB GLU A 38 14.040 0.684 -0.049 1.00 0.00 C ATOM 566 CG GLU A 38 15.338 0.615 0.740 1.00 0.00 C ATOM 567 CD GLU A 38 15.900 1.986 1.048 1.00 0.00 C ATOM 568 OE1 GLU A 38 15.496 2.597 2.055 1.00 0.00 O ATOM 569 OE2 GLU A 38 16.760 2.460 0.274 1.00 0.00 O ATOM 0 H GLU A 38 11.638 -0.548 -1.299 1.00 0.00 H new ATOM 0 HA GLU A 38 14.522 -1.031 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.133 1.456 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.237 0.993 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.165 0.078 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.073 0.042 0.175 1.00 0.00 H new ATOM 576 N GLY A 39 12.163 -2.435 -0.100 1.00 0.00 N ATOM 577 CA GLY A 39 11.589 -3.427 0.781 1.00 0.00 C ATOM 578 C GLY A 39 11.180 -4.678 0.033 1.00 0.00 C ATOM 579 O GLY A 39 11.523 -4.837 -1.139 1.00 0.00 O ATOM 0 H GLY A 39 11.730 -2.382 -1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.311 -3.687 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.720 -3.005 1.285 1.00 0.00 H new ATOM 583 N PRO A 40 10.447 -5.589 0.684 1.00 0.00 N ATOM 584 CA PRO A 40 9.998 -6.829 0.065 1.00 0.00 C ATOM 585 C PRO A 40 8.674 -6.667 -0.683 1.00 0.00 C ATOM 586 O PRO A 40 8.071 -5.593 -0.679 1.00 0.00 O ATOM 587 CB PRO A 40 9.828 -7.749 1.272 1.00 0.00 C ATOM 588 CG PRO A 40 9.409 -6.842 2.383 1.00 0.00 C ATOM 589 CD PRO A 40 9.996 -5.482 2.085 1.00 0.00 C ATOM 0 HA PRO A 40 10.693 -7.198 -0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.077 -8.516 1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.758 -8.265 1.511 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.322 -6.788 2.448 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.767 -7.215 3.342 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.255 -4.692 2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.824 -5.249 2.754 1.00 0.00 H new ATOM 597 N VAL A 41 8.237 -7.738 -1.333 1.00 0.00 N ATOM 598 CA VAL A 41 6.952 -7.750 -2.016 1.00 0.00 C ATOM 599 C VAL A 41 6.003 -8.709 -1.306 1.00 0.00 C ATOM 600 O VAL A 41 6.141 -9.928 -1.413 1.00 0.00 O ATOM 601 CB VAL A 41 7.087 -8.171 -3.498 1.00 0.00 C ATOM 602 CG1 VAL A 41 5.752 -8.035 -4.219 1.00 0.00 C ATOM 603 CG2 VAL A 41 8.166 -7.352 -4.196 1.00 0.00 C ATOM 0 H VAL A 41 8.757 -8.613 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 41 6.557 -6.735 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 41 7.385 -9.219 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.868 -8.336 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.012 -8.674 -3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.419 -6.998 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.244 -7.665 -5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.905 -6.295 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.122 -7.510 -3.697 1.00 0.00 H new ATOM 613 N ALA A 42 5.063 -8.154 -0.561 1.00 0.00 N ATOM 614 CA ALA A 42 4.109 -8.952 0.190 1.00 0.00 C ATOM 615 C ALA A 42 2.886 -9.267 -0.658 1.00 0.00 C ATOM 616 O ALA A 42 2.537 -8.512 -1.568 1.00 0.00 O ATOM 617 CB ALA A 42 3.700 -8.225 1.462 1.00 0.00 C ATOM 0 H ALA A 42 4.940 -7.147 -0.460 1.00 0.00 H new ATOM 0 HA ALA A 42 4.587 -9.893 0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.985 -8.834 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.581 -8.049 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.241 -7.271 1.204 1.00 0.00 H new ATOM 623 N SER A 43 2.242 -10.382 -0.361 1.00 0.00 N ATOM 624 CA SER A 43 1.051 -10.788 -1.083 1.00 0.00 C ATOM 625 C SER A 43 -0.185 -10.638 -0.203 1.00 0.00 C ATOM 626 O SER A 43 -0.191 -11.050 0.961 1.00 0.00 O ATOM 627 CB SER A 43 1.194 -12.232 -1.566 1.00 0.00 C ATOM 628 OG SER A 43 2.276 -12.358 -2.477 1.00 0.00 O ATOM 0 H SER A 43 2.526 -11.024 0.379 1.00 0.00 H new ATOM 0 HA SER A 43 0.932 -10.140 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.354 -12.891 -0.712 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.270 -12.552 -2.047 1.00 0.00 H new ATOM 0 HG SER A 43 1.931 -12.376 -3.394 1.00 0.00 H new ATOM 634 N TRP A 44 -1.219 -10.033 -0.761 1.00 0.00 N ATOM 635 CA TRP A 44 -2.459 -9.799 -0.044 1.00 0.00 C ATOM 636 C TRP A 44 -3.589 -10.628 -0.645 1.00 0.00 C ATOM 637 O TRP A 44 -3.826 -10.589 -1.852 1.00 0.00 O ATOM 638 CB TRP A 44 -2.826 -8.313 -0.097 1.00 0.00 C ATOM 639 CG TRP A 44 -2.626 -7.585 1.197 1.00 0.00 C ATOM 640 CD1 TRP A 44 -1.777 -7.917 2.214 1.00 0.00 C ATOM 641 CD2 TRP A 44 -3.294 -6.386 1.607 1.00 0.00 C ATOM 642 NE1 TRP A 44 -1.884 -7.001 3.233 1.00 0.00 N ATOM 643 CE2 TRP A 44 -2.806 -6.051 2.881 1.00 0.00 C ATOM 644 CE3 TRP A 44 -4.257 -5.564 1.016 1.00 0.00 C ATOM 645 CZ2 TRP A 44 -3.251 -4.927 3.576 1.00 0.00 C ATOM 646 CZ3 TRP A 44 -4.698 -4.453 1.706 1.00 0.00 C ATOM 647 CH2 TRP A 44 -4.194 -4.143 2.974 1.00 0.00 C ATOM 0 H TRP A 44 -1.222 -9.691 -1.722 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.317 -10.098 0.995 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.228 -7.830 -0.869 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.870 -8.218 -0.397 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.119 -8.773 2.217 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.362 -7.025 4.109 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.649 -5.794 0.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.864 -4.685 4.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.444 -3.812 1.260 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.558 -3.265 3.488 1.00 0.00 H new ATOM 658 N PRO A 45 -4.287 -11.412 0.186 1.00 0.00 N ATOM 659 CA PRO A 45 -5.464 -12.170 -0.229 1.00 0.00 C ATOM 660 C PRO A 45 -6.720 -11.304 -0.199 1.00 0.00 C ATOM 661 O PRO A 45 -7.841 -11.794 -0.340 1.00 0.00 O ATOM 662 CB PRO A 45 -5.562 -13.294 0.816 1.00 0.00 C ATOM 663 CG PRO A 45 -4.439 -13.070 1.783 1.00 0.00 C ATOM 664 CD PRO A 45 -3.980 -11.653 1.594 1.00 0.00 C ATOM 0 HA PRO A 45 -5.380 -12.540 -1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.525 -13.268 1.326 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.478 -14.273 0.343 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.772 -13.235 2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.623 -13.769 1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.510 -10.963 2.250 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.917 -11.538 1.804 1.00 0.00 H new ATOM 672 N VAL A 46 -6.508 -10.009 -0.011 1.00 0.00 N ATOM 673 CA VAL A 46 -7.592 -9.046 0.097 1.00 0.00 C ATOM 674 C VAL A 46 -8.007 -8.552 -1.284 1.00 0.00 C ATOM 675 O VAL A 46 -7.158 -8.334 -2.149 1.00 0.00 O ATOM 676 CB VAL A 46 -7.161 -7.843 0.962 1.00 0.00 C ATOM 677 CG1 VAL A 46 -8.316 -6.878 1.178 1.00 0.00 C ATOM 678 CG2 VAL A 46 -6.603 -8.319 2.293 1.00 0.00 C ATOM 0 H VAL A 46 -5.578 -9.597 0.071 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.439 -9.543 0.570 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.376 -7.308 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.981 -6.041 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.664 -6.506 0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.132 -7.394 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.304 -7.458 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.367 -8.884 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.737 -8.957 2.117 1.00 0.00 H new ATOM 688 N GLN A 47 -9.306 -8.394 -1.493 1.00 0.00 N ATOM 689 CA GLN A 47 -9.813 -7.888 -2.762 1.00 0.00 C ATOM 690 C GLN A 47 -10.620 -6.610 -2.568 1.00 0.00 C ATOM 691 O GLN A 47 -10.609 -5.722 -3.420 1.00 0.00 O ATOM 692 CB GLN A 47 -10.685 -8.937 -3.454 1.00 0.00 C ATOM 693 CG GLN A 47 -9.921 -10.166 -3.916 1.00 0.00 C ATOM 694 CD GLN A 47 -10.789 -11.128 -4.704 1.00 0.00 C ATOM 695 OE1 GLN A 47 -11.991 -11.240 -4.465 1.00 0.00 O ATOM 696 NE2 GLN A 47 -10.188 -11.819 -5.659 1.00 0.00 N ATOM 0 H GLN A 47 -10.027 -8.608 -0.803 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.950 -7.665 -3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.474 -9.248 -2.769 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.172 -8.479 -4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.077 -9.855 -4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.509 -10.681 -3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.189 -11.697 -5.825 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.724 -12.474 -6.229 1.00 0.00 H new ATOM 705 N ARG A 48 -11.315 -6.520 -1.445 1.00 0.00 N ATOM 706 CA ARG A 48 -12.211 -5.402 -1.200 1.00 0.00 C ATOM 707 C ARG A 48 -11.635 -4.468 -0.143 1.00 0.00 C ATOM 708 O ARG A 48 -10.945 -4.903 0.778 1.00 0.00 O ATOM 709 CB ARG A 48 -13.583 -5.923 -0.768 1.00 0.00 C ATOM 710 CG ARG A 48 -14.194 -6.880 -1.777 1.00 0.00 C ATOM 711 CD ARG A 48 -15.539 -7.420 -1.319 1.00 0.00 C ATOM 712 NE ARG A 48 -16.540 -6.364 -1.155 1.00 0.00 N ATOM 713 CZ ARG A 48 -17.212 -5.805 -2.166 1.00 0.00 C ATOM 714 NH1 ARG A 48 -16.913 -6.103 -3.428 1.00 0.00 N ATOM 715 NH2 ARG A 48 -18.169 -4.923 -1.912 1.00 0.00 N ATOM 0 H ARG A 48 -11.276 -7.206 -0.691 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.323 -4.834 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -13.489 -6.428 0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.257 -5.079 -0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.316 -6.368 -2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.510 -7.711 -1.946 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.900 -8.149 -2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.413 -7.947 -0.373 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.737 -6.034 -0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.164 -6.764 -3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.433 -5.670 -4.191 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.390 -4.674 -0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.684 -4.494 -2.681 1.00 0.00 H new ATOM 729 N PRO A 49 -11.921 -3.162 -0.261 1.00 0.00 N ATOM 730 CA PRO A 49 -11.411 -2.145 0.664 1.00 0.00 C ATOM 731 C PRO A 49 -12.051 -2.249 2.046 1.00 0.00 C ATOM 732 O PRO A 49 -11.658 -1.549 2.982 1.00 0.00 O ATOM 733 CB PRO A 49 -11.800 -0.814 0.001 1.00 0.00 C ATOM 734 CG PRO A 49 -12.245 -1.163 -1.381 1.00 0.00 C ATOM 735 CD PRO A 49 -12.760 -2.567 -1.309 1.00 0.00 C ATOM 0 HA PRO A 49 -10.339 -2.255 0.829 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.598 -0.319 0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.954 -0.127 -0.022 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.022 -0.480 -1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.418 -1.087 -2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.818 -2.598 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.651 -3.088 -2.260 1.00 0.00 H new ATOM 743 N ALA A 50 -13.032 -3.132 2.162 1.00 0.00 N ATOM 744 CA ALA A 50 -13.765 -3.317 3.402 1.00 0.00 C ATOM 745 C ALA A 50 -13.105 -4.370 4.284 1.00 0.00 C ATOM 746 O ALA A 50 -13.341 -4.411 5.491 1.00 0.00 O ATOM 747 CB ALA A 50 -15.201 -3.710 3.099 1.00 0.00 C ATOM 0 H ALA A 50 -13.340 -3.738 1.401 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.757 -2.373 3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.746 -3.847 4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.678 -2.924 2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.212 -4.641 2.533 1.00 0.00 H new ATOM 753 N ASP A 51 -12.273 -5.215 3.682 1.00 0.00 N ATOM 754 CA ASP A 51 -11.631 -6.306 4.415 1.00 0.00 C ATOM 755 C ASP A 51 -10.390 -5.813 5.144 1.00 0.00 C ATOM 756 O ASP A 51 -9.925 -6.442 6.096 1.00 0.00 O ATOM 757 CB ASP A 51 -11.229 -7.442 3.469 1.00 0.00 C ATOM 758 CG ASP A 51 -12.374 -7.957 2.624 1.00 0.00 C ATOM 759 OD1 ASP A 51 -13.313 -8.559 3.189 1.00 0.00 O ATOM 760 OD2 ASP A 51 -12.336 -7.757 1.393 1.00 0.00 O ATOM 0 H ASP A 51 -12.027 -5.167 2.693 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.355 -6.678 5.140 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.432 -7.093 2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.821 -8.266 4.055 1.00 0.00 H new ATOM 765 N ILE A 52 -9.866 -4.679 4.693 1.00 0.00 N ATOM 766 CA ILE A 52 -8.609 -4.138 5.206 1.00 0.00 C ATOM 767 C ILE A 52 -8.700 -3.803 6.694 1.00 0.00 C ATOM 768 O ILE A 52 -9.483 -2.947 7.102 1.00 0.00 O ATOM 769 CB ILE A 52 -8.193 -2.871 4.428 1.00 0.00 C ATOM 770 CG1 ILE A 52 -8.100 -3.172 2.928 1.00 0.00 C ATOM 771 CG2 ILE A 52 -6.864 -2.338 4.951 1.00 0.00 C ATOM 772 CD1 ILE A 52 -7.789 -1.957 2.078 1.00 0.00 C ATOM 0 H ILE A 52 -10.297 -4.110 3.965 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.856 -4.914 5.068 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.954 -2.105 4.579 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.329 -3.925 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.043 -3.605 2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.585 -1.445 4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.962 -2.089 6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.093 -3.099 4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.739 -2.250 1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.572 -1.211 2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.831 -1.535 2.383 1.00 0.00 H new ATOM 784 N THR A 53 -7.897 -4.490 7.495 1.00 0.00 N ATOM 785 CA THR A 53 -7.813 -4.219 8.920 1.00 0.00 C ATOM 786 C THR A 53 -6.438 -3.671 9.275 1.00 0.00 C ATOM 787 O THR A 53 -5.519 -3.704 8.451 1.00 0.00 O ATOM 788 CB THR A 53 -8.056 -5.491 9.756 1.00 0.00 C ATOM 789 OG1 THR A 53 -7.207 -6.554 9.297 1.00 0.00 O ATOM 790 CG2 THR A 53 -9.506 -5.932 9.684 1.00 0.00 C ATOM 0 H THR A 53 -7.290 -5.245 7.176 1.00 0.00 H new ATOM 0 HA THR A 53 -8.586 -3.486 9.151 1.00 0.00 H new ATOM 0 HB THR A 53 -7.820 -5.256 10.794 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.751 -7.239 8.854 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.643 -6.831 10.284 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.147 -5.138 10.068 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.771 -6.143 8.648 1.00 0.00 H new ATOM 798 N ALA A 54 -6.297 -3.181 10.500 1.00 0.00 N ATOM 799 CA ALA A 54 -5.007 -2.733 11.006 1.00 0.00 C ATOM 800 C ALA A 54 -4.014 -3.889 11.000 1.00 0.00 C ATOM 801 O ALA A 54 -2.826 -3.703 10.743 1.00 0.00 O ATOM 802 CB ALA A 54 -5.153 -2.167 12.411 1.00 0.00 C ATOM 0 H ALA A 54 -7.065 -3.084 11.164 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.631 -1.943 10.355 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.179 -1.837 12.773 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.839 -1.320 12.393 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.545 -2.938 13.075 1.00 0.00 H new ATOM 808 N SER A 55 -4.528 -5.085 11.264 1.00 0.00 N ATOM 809 CA SER A 55 -3.730 -6.302 11.249 1.00 0.00 C ATOM 810 C SER A 55 -3.097 -6.510 9.874 1.00 0.00 C ATOM 811 O SER A 55 -1.899 -6.786 9.757 1.00 0.00 O ATOM 812 CB SER A 55 -4.627 -7.489 11.593 1.00 0.00 C ATOM 813 OG SER A 55 -5.494 -7.169 12.669 1.00 0.00 O ATOM 0 H SER A 55 -5.510 -5.237 11.494 1.00 0.00 H new ATOM 0 HA SER A 55 -2.931 -6.216 11.985 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.214 -7.773 10.719 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.013 -8.350 11.858 1.00 0.00 H new ATOM 0 HG SER A 55 -6.061 -7.942 12.873 1.00 0.00 H new ATOM 819 N LEU A 56 -3.910 -6.356 8.836 1.00 0.00 N ATOM 820 CA LEU A 56 -3.447 -6.522 7.466 1.00 0.00 C ATOM 821 C LEU A 56 -2.455 -5.423 7.097 1.00 0.00 C ATOM 822 O LEU A 56 -1.513 -5.656 6.343 1.00 0.00 O ATOM 823 CB LEU A 56 -4.635 -6.520 6.502 1.00 0.00 C ATOM 824 CG LEU A 56 -5.632 -7.666 6.702 1.00 0.00 C ATOM 825 CD1 LEU A 56 -6.816 -7.518 5.763 1.00 0.00 C ATOM 826 CD2 LEU A 56 -4.950 -9.008 6.486 1.00 0.00 C ATOM 0 H LEU A 56 -4.898 -6.115 8.919 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.937 -7.482 7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.166 -5.574 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.255 -6.562 5.481 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.000 -7.623 7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.511 -8.342 5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.322 -6.573 5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.466 -7.532 4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.673 -9.811 6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.554 -9.056 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.134 -9.120 7.200 1.00 0.00 H new ATOM 838 N LEU A 57 -2.667 -4.233 7.646 1.00 0.00 N ATOM 839 CA LEU A 57 -1.755 -3.116 7.427 1.00 0.00 C ATOM 840 C LEU A 57 -0.382 -3.419 8.018 1.00 0.00 C ATOM 841 O LEU A 57 0.645 -3.123 7.408 1.00 0.00 O ATOM 842 CB LEU A 57 -2.315 -1.833 8.049 1.00 0.00 C ATOM 843 CG LEU A 57 -3.626 -1.330 7.441 1.00 0.00 C ATOM 844 CD1 LEU A 57 -4.126 -0.109 8.197 1.00 0.00 C ATOM 845 CD2 LEU A 57 -3.438 -1.001 5.967 1.00 0.00 C ATOM 0 H LEU A 57 -3.463 -4.016 8.246 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.652 -2.971 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.469 -2.003 9.115 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.566 -1.047 7.957 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.372 -2.120 7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.059 0.237 7.753 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.297 -0.372 9.241 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.381 0.685 8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.380 -0.645 5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.679 -0.226 5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.120 -1.896 5.432 1.00 0.00 H new ATOM 857 N GLN A 58 -0.374 -4.026 9.201 1.00 0.00 N ATOM 858 CA GLN A 58 0.869 -4.395 9.873 1.00 0.00 C ATOM 859 C GLN A 58 1.648 -5.416 9.047 1.00 0.00 C ATOM 860 O GLN A 58 2.881 -5.419 9.046 1.00 0.00 O ATOM 861 CB GLN A 58 0.576 -4.950 11.269 1.00 0.00 C ATOM 862 CG GLN A 58 -0.059 -3.929 12.202 1.00 0.00 C ATOM 863 CD GLN A 58 -0.389 -4.497 13.570 1.00 0.00 C ATOM 864 OE1 GLN A 58 -0.687 -5.684 13.713 1.00 0.00 O ATOM 865 NE2 GLN A 58 -0.343 -3.652 14.587 1.00 0.00 N ATOM 0 H GLN A 58 -1.218 -4.274 9.717 1.00 0.00 H new ATOM 0 HA GLN A 58 1.482 -3.499 9.975 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.087 -5.811 11.178 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.505 -5.308 11.712 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.618 -3.083 12.320 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.971 -3.546 11.745 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.092 -2.676 14.428 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.559 -3.976 15.530 1.00 0.00 H new ATOM 874 N GLN A 59 0.923 -6.284 8.351 1.00 0.00 N ATOM 875 CA GLN A 59 1.543 -7.246 7.446 1.00 0.00 C ATOM 876 C GLN A 59 2.032 -6.562 6.173 1.00 0.00 C ATOM 877 O GLN A 59 3.144 -6.815 5.711 1.00 0.00 O ATOM 878 CB GLN A 59 0.565 -8.366 7.090 1.00 0.00 C ATOM 879 CG GLN A 59 0.324 -9.347 8.225 1.00 0.00 C ATOM 880 CD GLN A 59 -0.692 -10.417 7.870 1.00 0.00 C ATOM 881 OE1 GLN A 59 -1.626 -10.178 7.106 1.00 0.00 O ATOM 882 NE2 GLN A 59 -0.507 -11.611 8.411 1.00 0.00 N ATOM 0 H GLN A 59 -0.094 -6.342 8.396 1.00 0.00 H new ATOM 0 HA GLN A 59 2.401 -7.678 7.961 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.387 -7.925 6.794 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.947 -8.910 6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.267 -9.823 8.495 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.021 -8.802 9.104 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.280 -11.769 9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.151 -12.373 8.199 1.00 0.00 H new ATOM 891 N ALA A 60 1.200 -5.679 5.626 1.00 0.00 N ATOM 892 CA ALA A 60 1.513 -4.985 4.376 1.00 0.00 C ATOM 893 C ALA A 60 2.709 -4.052 4.532 1.00 0.00 C ATOM 894 O ALA A 60 3.387 -3.729 3.557 1.00 0.00 O ATOM 895 CB ALA A 60 0.302 -4.201 3.895 1.00 0.00 C ATOM 0 H ALA A 60 0.299 -5.425 6.030 1.00 0.00 H new ATOM 0 HA ALA A 60 1.774 -5.741 3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.546 -3.689 2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.530 -4.884 3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.020 -3.467 4.650 1.00 0.00 H new ATOM 901 N ALA A 61 2.959 -3.616 5.760 1.00 0.00 N ATOM 902 CA ALA A 61 4.083 -2.737 6.049 1.00 0.00 C ATOM 903 C ALA A 61 5.413 -3.452 5.831 1.00 0.00 C ATOM 904 O ALA A 61 6.442 -2.813 5.618 1.00 0.00 O ATOM 905 CB ALA A 61 3.986 -2.213 7.474 1.00 0.00 C ATOM 0 H ALA A 61 2.395 -3.859 6.575 1.00 0.00 H new ATOM 0 HA ALA A 61 4.041 -1.894 5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.832 -1.557 7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.057 -1.656 7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.000 -3.051 8.171 1.00 0.00 H new ATOM 911 N GLY A 62 5.383 -4.781 5.875 1.00 0.00 N ATOM 912 CA GLY A 62 6.590 -5.560 5.675 1.00 0.00 C ATOM 913 C GLY A 62 7.599 -5.355 6.788 1.00 0.00 C ATOM 914 O GLY A 62 8.795 -5.238 6.537 1.00 0.00 O ATOM 0 H GLY A 62 4.542 -5.332 6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.331 -6.617 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.043 -5.286 4.722 1.00 0.00 H new ATOM 918 N LEU A 63 7.111 -5.336 8.023 1.00 0.00 N ATOM 919 CA LEU A 63 7.956 -5.084 9.189 1.00 0.00 C ATOM 920 C LEU A 63 8.668 -6.358 9.645 1.00 0.00 C ATOM 921 O LEU A 63 9.056 -6.483 10.807 1.00 0.00 O ATOM 922 CB LEU A 63 7.105 -4.528 10.333 1.00 0.00 C ATOM 923 CG LEU A 63 6.405 -3.200 10.035 1.00 0.00 C ATOM 924 CD1 LEU A 63 5.489 -2.817 11.186 1.00 0.00 C ATOM 925 CD2 LEU A 63 7.426 -2.101 9.776 1.00 0.00 C ATOM 0 H LEU A 63 6.128 -5.493 8.246 1.00 0.00 H new ATOM 0 HA LEU A 63 8.715 -4.354 8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.349 -5.268 10.596 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.741 -4.397 11.208 1.00 0.00 H new ATOM 0 HG LEU A 63 5.801 -3.322 9.136 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.998 -1.870 10.961 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.736 -3.593 11.325 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.076 -2.713 12.099 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.908 -1.165 9.566 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.058 -1.977 10.655 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.044 -2.373 8.921 1.00 0.00 H new ATOM 1274 N ALA A 88 11.926 1.531 9.321 1.00 0.00 N ATOM 1275 CA ALA A 88 10.567 1.173 8.957 1.00 0.00 C ATOM 1276 C ALA A 88 10.070 2.059 7.820 1.00 0.00 C ATOM 1277 O ALA A 88 10.633 3.127 7.571 1.00 0.00 O ATOM 1278 CB ALA A 88 9.655 1.292 10.172 1.00 0.00 C ATOM 0 HA ALA A 88 10.554 0.139 8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.637 1.022 9.891 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.005 0.621 10.957 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.670 2.318 10.539 1.00 0.00 H new ATOM 1284 N PRO A 89 9.031 1.611 7.094 1.00 0.00 N ATOM 1285 CA PRO A 89 8.403 2.413 6.042 1.00 0.00 C ATOM 1286 C PRO A 89 7.979 3.787 6.546 1.00 0.00 C ATOM 1287 O PRO A 89 7.460 3.921 7.653 1.00 0.00 O ATOM 1288 CB PRO A 89 7.172 1.595 5.653 1.00 0.00 C ATOM 1289 CG PRO A 89 7.519 0.193 6.012 1.00 0.00 C ATOM 1290 CD PRO A 89 8.403 0.283 7.224 1.00 0.00 C ATOM 0 HA PRO A 89 9.086 2.602 5.214 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.286 1.933 6.190 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.955 1.689 4.589 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.622 -0.389 6.225 1.00 0.00 H new ATOM 0 HG3 PRO A 89 8.033 -0.305 5.190 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.829 0.199 8.147 1.00 0.00 H new ATOM 0 HD3 PRO A 89 9.147 -0.513 7.238 1.00 0.00 H new ATOM 1298 N GLU A 90 8.198 4.801 5.730 1.00 0.00 N ATOM 1299 CA GLU A 90 7.864 6.161 6.109 1.00 0.00 C ATOM 1300 C GLU A 90 6.423 6.472 5.729 1.00 0.00 C ATOM 1301 O GLU A 90 5.708 7.160 6.459 1.00 0.00 O ATOM 1302 CB GLU A 90 8.835 7.134 5.441 1.00 0.00 C ATOM 1303 CG GLU A 90 8.630 8.586 5.829 1.00 0.00 C ATOM 1304 CD GLU A 90 9.789 9.458 5.397 1.00 0.00 C ATOM 1305 OE1 GLU A 90 10.263 9.298 4.256 1.00 0.00 O ATOM 1306 OE2 GLU A 90 10.229 10.307 6.202 1.00 0.00 O ATOM 0 H GLU A 90 8.606 4.708 4.800 1.00 0.00 H new ATOM 0 HA GLU A 90 7.956 6.271 7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.854 6.843 5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.737 7.042 4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.710 8.956 5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.505 8.658 6.909 1.00 0.00 H new ATOM 1313 N VAL A 91 5.990 5.945 4.592 1.00 0.00 N ATOM 1314 CA VAL A 91 4.625 6.143 4.140 1.00 0.00 C ATOM 1315 C VAL A 91 4.084 4.892 3.444 1.00 0.00 C ATOM 1316 O VAL A 91 4.790 4.230 2.677 1.00 0.00 O ATOM 1317 CB VAL A 91 4.507 7.374 3.208 1.00 0.00 C ATOM 1318 CG1 VAL A 91 5.355 7.206 1.958 1.00 0.00 C ATOM 1319 CG2 VAL A 91 3.056 7.643 2.840 1.00 0.00 C ATOM 0 H VAL A 91 6.565 5.378 3.969 1.00 0.00 H new ATOM 0 HA VAL A 91 4.018 6.332 5.026 1.00 0.00 H new ATOM 0 HB VAL A 91 4.886 8.237 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.249 8.087 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.401 7.086 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.024 6.324 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.002 8.513 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.644 6.775 2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.480 7.835 3.746 1.00 0.00 H new ATOM 1329 N LEU A 92 2.837 4.566 3.746 1.00 0.00 N ATOM 1330 CA LEU A 92 2.153 3.432 3.152 1.00 0.00 C ATOM 1331 C LEU A 92 0.984 3.924 2.305 1.00 0.00 C ATOM 1332 O LEU A 92 0.065 4.574 2.813 1.00 0.00 O ATOM 1333 CB LEU A 92 1.646 2.492 4.253 1.00 0.00 C ATOM 1334 CG LEU A 92 0.929 1.228 3.769 1.00 0.00 C ATOM 1335 CD1 LEU A 92 1.894 0.314 3.032 1.00 0.00 C ATOM 1336 CD2 LEU A 92 0.295 0.496 4.942 1.00 0.00 C ATOM 0 H LEU A 92 2.269 5.086 4.415 1.00 0.00 H new ATOM 0 HA LEU A 92 2.849 2.886 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.494 2.193 4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.966 3.050 4.896 1.00 0.00 H new ATOM 0 HG LEU A 92 0.140 1.524 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.366 -0.578 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.305 0.838 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.705 0.025 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.211 -0.400 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.069 0.214 5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.428 1.149 5.430 1.00 0.00 H new ATOM 1348 N LEU A 93 1.029 3.632 1.017 1.00 0.00 N ATOM 1349 CA LEU A 93 -0.025 4.044 0.103 1.00 0.00 C ATOM 1350 C LEU A 93 -0.882 2.848 -0.284 1.00 0.00 C ATOM 1351 O LEU A 93 -0.386 1.875 -0.851 1.00 0.00 O ATOM 1352 CB LEU A 93 0.572 4.691 -1.148 1.00 0.00 C ATOM 1353 CG LEU A 93 1.376 5.971 -0.902 1.00 0.00 C ATOM 1354 CD1 LEU A 93 1.955 6.491 -2.206 1.00 0.00 C ATOM 1355 CD2 LEU A 93 0.505 7.033 -0.245 1.00 0.00 C ATOM 0 H LEU A 93 1.787 3.109 0.578 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.652 4.779 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.219 3.964 -1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.238 4.918 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 93 2.199 5.736 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.524 7.401 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.612 5.737 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.145 6.709 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.094 7.935 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.338 7.265 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.135 6.660 0.710 1.00 0.00 H new ATOM 1367 N VAL A 94 -2.160 2.918 0.032 1.00 0.00 N ATOM 1368 CA VAL A 94 -3.070 1.819 -0.243 1.00 0.00 C ATOM 1369 C VAL A 94 -3.990 2.156 -1.411 1.00 0.00 C ATOM 1370 O VAL A 94 -4.709 3.152 -1.375 1.00 0.00 O ATOM 1371 CB VAL A 94 -3.926 1.474 0.995 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -4.817 0.273 0.719 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -3.039 1.217 2.206 1.00 0.00 C ATOM 0 H VAL A 94 -2.594 3.725 0.480 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.460 0.953 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.566 2.329 1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.410 0.049 1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.481 0.497 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.199 -0.589 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.661 0.976 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.370 0.383 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.450 2.109 2.422 1.00 0.00 H new ATOM 1383 N GLY A 95 -3.947 1.332 -2.447 1.00 0.00 N ATOM 1384 CA GLY A 95 -4.851 1.492 -3.567 1.00 0.00 C ATOM 1385 C GLY A 95 -6.046 0.578 -3.427 1.00 0.00 C ATOM 1386 O GLY A 95 -5.931 -0.631 -3.625 1.00 0.00 O ATOM 0 H GLY A 95 -3.297 0.550 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -5.185 2.528 -3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.327 1.273 -4.497 1.00 0.00 H new ATOM 1390 N THR A 96 -7.193 1.154 -3.093 1.00 0.00 N ATOM 1391 CA THR A 96 -8.374 0.374 -2.741 1.00 0.00 C ATOM 1392 C THR A 96 -9.175 -0.091 -3.964 1.00 0.00 C ATOM 1393 O THR A 96 -10.313 -0.546 -3.835 1.00 0.00 O ATOM 1394 CB THR A 96 -9.279 1.176 -1.791 1.00 0.00 C ATOM 1395 OG1 THR A 96 -9.422 2.519 -2.268 1.00 0.00 O ATOM 1396 CG2 THR A 96 -8.702 1.194 -0.383 1.00 0.00 C ATOM 0 H THR A 96 -7.332 2.164 -3.058 1.00 0.00 H new ATOM 0 HA THR A 96 -8.015 -0.525 -2.239 1.00 0.00 H new ATOM 0 HB THR A 96 -10.256 0.694 -1.762 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.223 2.583 -2.829 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.359 1.767 0.272 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.619 0.173 -0.011 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.715 1.655 -0.400 1.00 0.00 H new ATOM 1404 N GLY A 97 -8.582 0.019 -5.145 1.00 0.00 N ATOM 1405 CA GLY A 97 -9.182 -0.544 -6.342 1.00 0.00 C ATOM 1406 C GLY A 97 -10.404 0.207 -6.838 1.00 0.00 C ATOM 1407 O GLY A 97 -10.282 1.270 -7.451 1.00 0.00 O ATOM 0 H GLY A 97 -7.691 0.491 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -8.434 -0.563 -7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -9.461 -1.579 -6.143 1.00 0.00 H new ATOM 1411 N ARG A 98 -11.581 -0.350 -6.560 1.00 0.00 N ATOM 1412 CA ARG A 98 -12.838 0.134 -7.132 1.00 0.00 C ATOM 1413 C ARG A 98 -13.157 1.566 -6.704 1.00 0.00 C ATOM 1414 O ARG A 98 -13.546 2.394 -7.526 1.00 0.00 O ATOM 1415 CB ARG A 98 -13.999 -0.788 -6.739 1.00 0.00 C ATOM 1416 CG ARG A 98 -13.919 -2.182 -7.346 1.00 0.00 C ATOM 1417 CD ARG A 98 -15.182 -2.986 -7.067 1.00 0.00 C ATOM 1418 NE ARG A 98 -15.171 -4.286 -7.743 1.00 0.00 N ATOM 1419 CZ ARG A 98 -15.953 -4.592 -8.782 1.00 0.00 C ATOM 1420 NH1 ARG A 98 -16.821 -3.701 -9.250 1.00 0.00 N ATOM 1421 NH2 ARG A 98 -15.875 -5.790 -9.350 1.00 0.00 N ATOM 0 H ARG A 98 -11.691 -1.147 -5.934 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.713 0.128 -8.215 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -14.026 -0.877 -5.653 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -14.937 -0.324 -7.044 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -13.767 -2.103 -8.422 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.055 -2.708 -6.940 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -15.284 -3.138 -5.992 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -16.053 -2.416 -7.392 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.528 -5.000 -7.400 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -16.891 -2.781 -8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -17.417 -3.937 -10.043 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.216 -6.482 -8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -16.474 -6.018 -10.143 1.00 0.00 H new ATOM 1435 N ARG A 99 -13.004 1.845 -5.421 1.00 0.00 N ATOM 1436 CA ARG A 99 -13.322 3.157 -4.875 1.00 0.00 C ATOM 1437 C ARG A 99 -12.319 3.538 -3.806 1.00 0.00 C ATOM 1438 O ARG A 99 -11.898 2.687 -3.024 1.00 0.00 O ATOM 1439 CB ARG A 99 -14.734 3.161 -4.284 1.00 0.00 C ATOM 1440 CG ARG A 99 -15.814 3.549 -5.276 1.00 0.00 C ATOM 1441 CD ARG A 99 -17.200 3.292 -4.713 1.00 0.00 C ATOM 1442 NE ARG A 99 -17.574 1.879 -4.800 1.00 0.00 N ATOM 1443 CZ ARG A 99 -18.117 1.178 -3.801 1.00 0.00 C ATOM 1444 NH1 ARG A 99 -18.248 1.721 -2.596 1.00 0.00 N ATOM 1445 NH2 ARG A 99 -18.512 -0.071 -4.006 1.00 0.00 N ATOM 0 H ARG A 99 -12.659 1.176 -4.732 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.275 3.886 -5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -14.955 2.169 -3.890 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.763 3.852 -3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.713 4.604 -5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.683 2.983 -6.198 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -17.233 3.612 -3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -17.929 3.894 -5.255 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.409 1.397 -5.684 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.933 2.677 -2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.663 1.182 -1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -18.401 -0.496 -4.926 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -18.927 -0.606 -3.243 1.00 0.00 H new ATOM 1459 N GLN A 100 -11.925 4.805 -3.790 1.00 0.00 N ATOM 1460 CA GLN A 100 -11.001 5.306 -2.783 1.00 0.00 C ATOM 1461 C GLN A 100 -11.651 5.266 -1.404 1.00 0.00 C ATOM 1462 O GLN A 100 -12.416 6.160 -1.033 1.00 0.00 O ATOM 1463 CB GLN A 100 -10.557 6.733 -3.111 1.00 0.00 C ATOM 1464 CG GLN A 100 -9.451 7.244 -2.200 1.00 0.00 C ATOM 1465 CD GLN A 100 -9.070 8.685 -2.474 1.00 0.00 C ATOM 1466 OE1 GLN A 100 -9.206 9.181 -3.591 1.00 0.00 O ATOM 1467 NE2 GLN A 100 -8.564 9.361 -1.457 1.00 0.00 N ATOM 0 H GLN A 100 -12.232 5.505 -4.465 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.120 4.664 -2.781 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -10.213 6.770 -4.145 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.416 7.400 -3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.772 7.151 -1.162 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.570 6.613 -2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.467 8.914 -0.545 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.270 10.330 -1.584 1.00 0.00 H new ATOM 1476 N HIS A 101 -11.366 4.211 -0.664 1.00 0.00 N ATOM 1477 CA HIS A 101 -11.909 4.047 0.671 1.00 0.00 C ATOM 1478 C HIS A 101 -10.873 4.463 1.701 1.00 0.00 C ATOM 1479 O HIS A 101 -9.953 3.701 2.002 1.00 0.00 O ATOM 1480 CB HIS A 101 -12.334 2.590 0.903 1.00 0.00 C ATOM 1481 CG HIS A 101 -12.894 2.322 2.271 1.00 0.00 C ATOM 1482 ND1 HIS A 101 -12.114 1.939 3.341 1.00 0.00 N ATOM 1483 CD2 HIS A 101 -14.165 2.378 2.738 1.00 0.00 C ATOM 1484 CE1 HIS A 101 -12.879 1.774 4.404 1.00 0.00 C ATOM 1485 NE2 HIS A 101 -14.129 2.033 4.068 1.00 0.00 N ATOM 0 H HIS A 101 -10.758 3.451 -0.967 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.789 4.682 0.774 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -13.081 2.318 0.157 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -11.472 1.942 0.742 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -15.044 2.645 2.170 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.539 1.477 5.385 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.935 1.985 4.692 1.00 0.00 H new ATOM 1494 N LEU A 102 -11.008 5.677 2.215 1.00 0.00 N ATOM 1495 CA LEU A 102 -10.112 6.166 3.247 1.00 0.00 C ATOM 1496 C LEU A 102 -10.205 5.274 4.476 1.00 0.00 C ATOM 1497 O LEU A 102 -11.293 4.844 4.864 1.00 0.00 O ATOM 1498 CB LEU A 102 -10.451 7.612 3.619 1.00 0.00 C ATOM 1499 CG LEU A 102 -10.291 8.633 2.491 1.00 0.00 C ATOM 1500 CD1 LEU A 102 -10.751 10.008 2.949 1.00 0.00 C ATOM 1501 CD2 LEU A 102 -8.848 8.684 2.019 1.00 0.00 C ATOM 0 H LEU A 102 -11.730 6.340 1.933 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.093 6.142 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.481 7.646 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.816 7.914 4.452 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.916 8.322 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.630 10.722 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.801 9.963 3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.152 10.326 3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.753 9.416 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.203 8.971 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.550 7.702 1.652 1.00 0.00 H new ATOM 1513 N LEU A 103 -9.062 4.975 5.065 1.00 0.00 N ATOM 1514 CA LEU A 103 -9.014 4.108 6.229 1.00 0.00 C ATOM 1515 C LEU A 103 -9.429 4.872 7.480 1.00 0.00 C ATOM 1516 O LEU A 103 -9.756 6.059 7.414 1.00 0.00 O ATOM 1517 CB LEU A 103 -7.612 3.524 6.393 1.00 0.00 C ATOM 1518 CG LEU A 103 -7.151 2.635 5.236 1.00 0.00 C ATOM 1519 CD1 LEU A 103 -5.719 2.176 5.455 1.00 0.00 C ATOM 1520 CD2 LEU A 103 -8.077 1.437 5.078 1.00 0.00 C ATOM 0 H LEU A 103 -8.153 5.320 4.756 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.716 3.287 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.903 4.344 6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.581 2.943 7.315 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.189 3.221 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.408 1.545 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.064 3.045 5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.657 1.609 6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.732 0.817 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.073 0.850 5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.090 1.784 4.874 1.00 0.00 H new ATOM 1532 N GLY A 104 -9.403 4.204 8.617 1.00 0.00 N ATOM 1533 CA GLY A 104 -9.841 4.835 9.836 1.00 0.00 C ATOM 1534 C GLY A 104 -8.680 5.189 10.735 1.00 0.00 C ATOM 1535 O GLY A 104 -7.663 4.492 10.739 1.00 0.00 O ATOM 0 H GLY A 104 -9.087 3.239 8.717 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.403 5.738 9.596 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.521 4.168 10.366 1.00 0.00 H new ATOM 1539 N PRO A 105 -8.800 6.281 11.502 1.00 0.00 N ATOM 1540 CA PRO A 105 -7.734 6.749 12.390 1.00 0.00 C ATOM 1541 C PRO A 105 -7.281 5.667 13.362 1.00 0.00 C ATOM 1542 O PRO A 105 -6.088 5.490 13.597 1.00 0.00 O ATOM 1543 CB PRO A 105 -8.369 7.924 13.148 1.00 0.00 C ATOM 1544 CG PRO A 105 -9.838 7.810 12.905 1.00 0.00 C ATOM 1545 CD PRO A 105 -9.985 7.148 11.567 1.00 0.00 C ATOM 0 HA PRO A 105 -6.840 7.030 11.834 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.142 7.872 14.213 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.984 8.878 12.786 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.318 7.221 13.687 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -10.312 8.792 12.909 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -10.910 6.575 11.498 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -9.999 7.875 10.755 1.00 0.00 H new ATOM 1553 N GLU A 106 -8.242 4.920 13.891 1.00 0.00 N ATOM 1554 CA GLU A 106 -7.960 3.881 14.875 1.00 0.00 C ATOM 1555 C GLU A 106 -7.124 2.756 14.266 1.00 0.00 C ATOM 1556 O GLU A 106 -6.355 2.092 14.963 1.00 0.00 O ATOM 1557 CB GLU A 106 -9.270 3.326 15.435 1.00 0.00 C ATOM 1558 CG GLU A 106 -10.151 4.397 16.052 1.00 0.00 C ATOM 1559 CD GLU A 106 -11.452 3.849 16.589 1.00 0.00 C ATOM 1560 OE1 GLU A 106 -12.422 3.727 15.810 1.00 0.00 O ATOM 1561 OE2 GLU A 106 -11.521 3.550 17.798 1.00 0.00 O ATOM 0 H GLU A 106 -9.229 5.015 13.654 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.383 4.325 15.686 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.819 2.828 14.636 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -9.046 2.570 16.187 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.608 4.887 16.860 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -10.365 5.160 15.304 1.00 0.00 H new ATOM 1568 N GLN A 107 -7.264 2.564 12.960 1.00 0.00 N ATOM 1569 CA GLN A 107 -6.534 1.518 12.255 1.00 0.00 C ATOM 1570 C GLN A 107 -5.069 1.903 12.071 1.00 0.00 C ATOM 1571 O GLN A 107 -4.176 1.062 12.174 1.00 0.00 O ATOM 1572 CB GLN A 107 -7.163 1.263 10.883 1.00 0.00 C ATOM 1573 CG GLN A 107 -8.589 0.739 10.943 1.00 0.00 C ATOM 1574 CD GLN A 107 -9.226 0.633 9.570 1.00 0.00 C ATOM 1575 OE1 GLN A 107 -8.920 1.410 8.666 1.00 0.00 O ATOM 1576 NE2 GLN A 107 -10.121 -0.327 9.405 1.00 0.00 N ATOM 0 H GLN A 107 -7.878 3.121 12.366 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.589 0.611 12.857 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.152 2.191 10.312 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -6.546 0.547 10.340 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.593 -0.242 11.419 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.189 1.399 11.569 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.348 -0.951 10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.584 -0.443 8.504 1.00 0.00 H new ATOM 1585 N VAL A 108 -4.824 3.180 11.813 1.00 0.00 N ATOM 1586 CA VAL A 108 -3.487 3.640 11.469 1.00 0.00 C ATOM 1587 C VAL A 108 -2.694 4.097 12.694 1.00 0.00 C ATOM 1588 O VAL A 108 -1.496 4.363 12.592 1.00 0.00 O ATOM 1589 CB VAL A 108 -3.535 4.780 10.428 1.00 0.00 C ATOM 1590 CG1 VAL A 108 -4.184 4.300 9.138 1.00 0.00 C ATOM 1591 CG2 VAL A 108 -4.274 5.991 10.974 1.00 0.00 C ATOM 0 H VAL A 108 -5.532 3.914 11.835 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.973 2.782 11.036 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.509 5.079 10.212 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.209 5.117 8.417 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.608 3.471 8.727 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.201 3.967 9.344 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.292 6.777 10.219 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.296 5.709 11.229 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.765 6.356 11.866 1.00 0.00 H new ATOM 1601 N ARG A 109 -3.351 4.169 13.852 1.00 0.00 N ATOM 1602 CA ARG A 109 -2.702 4.611 15.085 1.00 0.00 C ATOM 1603 C ARG A 109 -1.429 3.813 15.406 1.00 0.00 C ATOM 1604 O ARG A 109 -0.396 4.418 15.698 1.00 0.00 O ATOM 1605 CB ARG A 109 -3.672 4.548 16.266 1.00 0.00 C ATOM 1606 CG ARG A 109 -4.778 5.584 16.203 1.00 0.00 C ATOM 1607 CD ARG A 109 -5.565 5.645 17.501 1.00 0.00 C ATOM 1608 NE ARG A 109 -6.095 4.341 17.897 1.00 0.00 N ATOM 1609 CZ ARG A 109 -7.142 4.179 18.703 1.00 0.00 C ATOM 1610 NH1 ARG A 109 -7.806 5.235 19.159 1.00 0.00 N ATOM 1611 NH2 ARG A 109 -7.526 2.960 19.049 1.00 0.00 N ATOM 0 H ARG A 109 -4.336 3.926 13.961 1.00 0.00 H new ATOM 0 HA ARG A 109 -2.403 5.646 14.920 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.119 3.555 16.305 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -3.113 4.683 17.192 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -4.348 6.563 15.992 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -5.452 5.347 15.380 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -4.923 6.028 18.294 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -6.389 6.350 17.390 1.00 0.00 H new ATOM 0 HE ARG A 109 -5.635 3.506 17.534 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.514 6.175 18.892 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.608 5.106 19.776 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.020 2.147 18.698 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -8.328 2.834 19.667 1.00 0.00 H new ATOM 1625 N PRO A 110 -1.466 2.457 15.373 1.00 0.00 N ATOM 1626 CA PRO A 110 -0.269 1.636 15.614 1.00 0.00 C ATOM 1627 C PRO A 110 0.902 2.020 14.709 1.00 0.00 C ATOM 1628 O PRO A 110 2.054 2.059 15.145 1.00 0.00 O ATOM 1629 CB PRO A 110 -0.740 0.215 15.292 1.00 0.00 C ATOM 1630 CG PRO A 110 -2.208 0.242 15.531 1.00 0.00 C ATOM 1631 CD PRO A 110 -2.661 1.617 15.135 1.00 0.00 C ATOM 0 HA PRO A 110 0.105 1.761 16.630 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.511 -0.054 14.261 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.248 -0.520 15.930 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.714 -0.522 14.941 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.438 0.041 16.577 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.974 1.651 14.092 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.510 1.948 15.734 1.00 0.00 H new ATOM 1639 N LEU A 111 0.599 2.324 13.454 1.00 0.00 N ATOM 1640 CA LEU A 111 1.631 2.672 12.485 1.00 0.00 C ATOM 1641 C LEU A 111 2.096 4.108 12.689 1.00 0.00 C ATOM 1642 O LEU A 111 3.289 4.402 12.592 1.00 0.00 O ATOM 1643 CB LEU A 111 1.112 2.473 11.060 1.00 0.00 C ATOM 1644 CG LEU A 111 0.714 1.037 10.712 1.00 0.00 C ATOM 1645 CD1 LEU A 111 0.181 0.959 9.292 1.00 0.00 C ATOM 1646 CD2 LEU A 111 1.896 0.097 10.883 1.00 0.00 C ATOM 0 H LEU A 111 -0.351 2.337 13.083 1.00 0.00 H new ATOM 0 HA LEU A 111 2.485 2.012 12.638 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.248 3.120 10.910 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.881 2.801 10.360 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.076 0.728 11.396 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.097 -0.070 9.064 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.695 1.601 9.196 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.951 1.290 8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.592 -0.919 10.631 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.706 0.408 10.224 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.238 0.127 11.917 1.00 0.00 H new ATOM 1658 N LEU A 112 1.155 4.996 12.994 1.00 0.00 N ATOM 1659 CA LEU A 112 1.475 6.392 13.274 1.00 0.00 C ATOM 1660 C LEU A 112 2.369 6.502 14.502 1.00 0.00 C ATOM 1661 O LEU A 112 3.216 7.390 14.586 1.00 0.00 O ATOM 1662 CB LEU A 112 0.201 7.215 13.486 1.00 0.00 C ATOM 1663 CG LEU A 112 -0.706 7.352 12.261 1.00 0.00 C ATOM 1664 CD1 LEU A 112 -1.934 8.177 12.602 1.00 0.00 C ATOM 1665 CD2 LEU A 112 0.050 7.982 11.102 1.00 0.00 C ATOM 0 H LEU A 112 0.161 4.773 13.054 1.00 0.00 H new ATOM 0 HA LEU A 112 2.007 6.790 12.410 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.374 6.761 14.293 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.485 8.213 13.819 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.029 6.355 11.959 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.569 8.265 11.721 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.490 7.688 13.402 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.626 9.170 12.928 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.612 8.071 10.241 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.402 8.972 11.392 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.903 7.356 10.841 1.00 0.00 H new ATOM 1677 N ALA A 113 2.177 5.587 15.448 1.00 0.00 N ATOM 1678 CA ALA A 113 2.999 5.538 16.652 1.00 0.00 C ATOM 1679 C ALA A 113 4.453 5.258 16.301 1.00 0.00 C ATOM 1680 O ALA A 113 5.368 5.772 16.940 1.00 0.00 O ATOM 1681 CB ALA A 113 2.472 4.479 17.612 1.00 0.00 C ATOM 0 H ALA A 113 1.456 4.867 15.403 1.00 0.00 H new ATOM 0 HA ALA A 113 2.946 6.510 17.142 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.096 4.455 18.505 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.447 4.720 17.892 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.496 3.503 17.126 1.00 0.00 H new ATOM 1687 N MET A 114 4.658 4.444 15.274 1.00 0.00 N ATOM 1688 CA MET A 114 5.999 4.135 14.801 1.00 0.00 C ATOM 1689 C MET A 114 6.539 5.292 13.970 1.00 0.00 C ATOM 1690 O MET A 114 7.714 5.648 14.061 1.00 0.00 O ATOM 1691 CB MET A 114 5.989 2.855 13.960 1.00 0.00 C ATOM 1692 CG MET A 114 5.436 1.643 14.694 1.00 0.00 C ATOM 1693 SD MET A 114 5.398 0.166 13.660 1.00 0.00 S ATOM 1694 CE MET A 114 4.636 -1.003 14.783 1.00 0.00 C ATOM 0 H MET A 114 3.911 3.986 14.752 1.00 0.00 H new ATOM 0 HA MET A 114 6.644 3.982 15.666 1.00 0.00 H new ATOM 0 HB2 MET A 114 5.396 3.026 13.062 1.00 0.00 H new ATOM 0 HB3 MET A 114 7.006 2.638 13.634 1.00 0.00 H new ATOM 0 HG2 MET A 114 6.045 1.449 15.577 1.00 0.00 H new ATOM 0 HG3 MET A 114 4.428 1.863 15.044 1.00 0.00 H new ATOM 0 HE1 MET A 114 4.541 -1.971 14.291 1.00 0.00 H new ATOM 0 HE2 MET A 114 5.255 -1.108 15.674 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.648 -0.642 15.068 1.00 0.00 H new ATOM 1704 N GLY A 115 5.662 5.885 13.177 1.00 0.00 N ATOM 1705 CA GLY A 115 6.052 6.982 12.319 1.00 0.00 C ATOM 1706 C GLY A 115 5.669 6.737 10.874 1.00 0.00 C ATOM 1707 O GLY A 115 6.126 7.442 9.974 1.00 0.00 O ATOM 0 H GLY A 115 4.678 5.623 13.112 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.580 7.901 12.668 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.130 7.131 12.388 1.00 0.00 H new ATOM 1711 N VAL A 116 4.827 5.736 10.656 1.00 0.00 N ATOM 1712 CA VAL A 116 4.387 5.378 9.316 1.00 0.00 C ATOM 1713 C VAL A 116 3.119 6.138 8.949 1.00 0.00 C ATOM 1714 O VAL A 116 2.078 5.963 9.585 1.00 0.00 O ATOM 1715 CB VAL A 116 4.105 3.863 9.201 1.00 0.00 C ATOM 1716 CG1 VAL A 116 3.792 3.479 7.762 1.00 0.00 C ATOM 1717 CG2 VAL A 116 5.274 3.047 9.732 1.00 0.00 C ATOM 0 H VAL A 116 4.433 5.155 11.396 1.00 0.00 H new ATOM 0 HA VAL A 116 5.192 5.644 8.632 1.00 0.00 H new ATOM 0 HB VAL A 116 3.231 3.638 9.813 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.597 2.408 7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.913 4.026 7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.642 3.727 7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.048 1.985 9.639 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.171 3.279 9.157 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.442 3.292 10.781 1.00 0.00 H new ATOM 1727 N GLY A 117 3.213 6.991 7.941 1.00 0.00 N ATOM 1728 CA GLY A 117 2.039 7.689 7.457 1.00 0.00 C ATOM 1729 C GLY A 117 1.270 6.838 6.470 1.00 0.00 C ATOM 1730 O GLY A 117 1.859 6.269 5.561 1.00 0.00 O ATOM 0 H GLY A 117 4.079 7.213 7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 117 1.395 7.950 8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 117 2.337 8.623 6.982 1.00 0.00 H new ATOM 1734 N VAL A 118 -0.038 6.741 6.642 1.00 0.00 N ATOM 1735 CA VAL A 118 -0.846 5.858 5.805 1.00 0.00 C ATOM 1736 C VAL A 118 -1.932 6.637 5.074 1.00 0.00 C ATOM 1737 O VAL A 118 -2.738 7.327 5.698 1.00 0.00 O ATOM 1738 CB VAL A 118 -1.501 4.734 6.638 1.00 0.00 C ATOM 1739 CG1 VAL A 118 -2.241 3.751 5.740 1.00 0.00 C ATOM 1740 CG2 VAL A 118 -0.460 4.008 7.477 1.00 0.00 C ATOM 0 H VAL A 118 -0.564 7.257 7.347 1.00 0.00 H new ATOM 0 HA VAL A 118 -0.172 5.410 5.075 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.226 5.194 7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.693 2.970 6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -3.020 4.277 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.540 3.302 5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.943 3.221 8.055 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.292 3.568 6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 118 0.018 4.715 8.155 1.00 0.00 H new ATOM 1750 N GLU A 119 -1.944 6.526 3.752 1.00 0.00 N ATOM 1751 CA GLU A 119 -2.942 7.205 2.937 1.00 0.00 C ATOM 1752 C GLU A 119 -3.576 6.231 1.946 1.00 0.00 C ATOM 1753 O GLU A 119 -2.874 5.481 1.263 1.00 0.00 O ATOM 1754 CB GLU A 119 -2.319 8.388 2.188 1.00 0.00 C ATOM 1755 CG GLU A 119 -1.687 9.425 3.102 1.00 0.00 C ATOM 1756 CD GLU A 119 -1.242 10.667 2.362 1.00 0.00 C ATOM 1757 OE1 GLU A 119 -2.100 11.532 2.081 1.00 0.00 O ATOM 1758 OE2 GLU A 119 -0.034 10.797 2.072 1.00 0.00 O ATOM 0 H GLU A 119 -1.273 5.971 3.221 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.719 7.586 3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.561 8.013 1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -3.088 8.870 1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -2.403 9.705 3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.829 8.982 3.607 1.00 0.00 H new ATOM 1765 N ALA A 120 -4.901 6.238 1.881 1.00 0.00 N ATOM 1766 CA ALA A 120 -5.628 5.359 0.974 1.00 0.00 C ATOM 1767 C ALA A 120 -6.147 6.135 -0.233 1.00 0.00 C ATOM 1768 O ALA A 120 -6.796 7.171 -0.083 1.00 0.00 O ATOM 1769 CB ALA A 120 -6.778 4.680 1.704 1.00 0.00 C ATOM 0 H ALA A 120 -5.495 6.844 2.447 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.941 4.593 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.312 4.027 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.385 4.090 2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.461 5.437 2.090 1.00 0.00 H new ATOM 1775 N MET A 121 -5.858 5.627 -1.425 1.00 0.00 N ATOM 1776 CA MET A 121 -6.260 6.276 -2.667 1.00 0.00 C ATOM 1777 C MET A 121 -6.605 5.228 -3.722 1.00 0.00 C ATOM 1778 O MET A 121 -6.687 4.038 -3.419 1.00 0.00 O ATOM 1779 CB MET A 121 -5.144 7.187 -3.191 1.00 0.00 C ATOM 1780 CG MET A 121 -4.873 8.403 -2.318 1.00 0.00 C ATOM 1781 SD MET A 121 -3.554 9.449 -2.967 1.00 0.00 S ATOM 1782 CE MET A 121 -2.168 8.315 -2.928 1.00 0.00 C ATOM 0 H MET A 121 -5.341 4.758 -1.558 1.00 0.00 H new ATOM 0 HA MET A 121 -7.141 6.885 -2.462 1.00 0.00 H new ATOM 0 HB2 MET A 121 -4.227 6.605 -3.280 1.00 0.00 H new ATOM 0 HB3 MET A 121 -5.406 7.524 -4.194 1.00 0.00 H new ATOM 0 HG2 MET A 121 -5.786 8.991 -2.229 1.00 0.00 H new ATOM 0 HG3 MET A 121 -4.607 8.072 -1.314 1.00 0.00 H new ATOM 0 HE1 MET A 121 -1.263 8.856 -2.650 1.00 0.00 H new ATOM 0 HE2 MET A 121 -2.361 7.530 -2.197 1.00 0.00 H new ATOM 0 HE3 MET A 121 -2.035 7.868 -3.913 1.00 0.00 H new ATOM 1792 N ASP A 122 -6.826 5.678 -4.954 1.00 0.00 N ATOM 1793 CA ASP A 122 -7.060 4.767 -6.072 1.00 0.00 C ATOM 1794 C ASP A 122 -5.803 3.960 -6.360 1.00 0.00 C ATOM 1795 O ASP A 122 -4.697 4.396 -6.039 1.00 0.00 O ATOM 1796 CB ASP A 122 -7.457 5.537 -7.336 1.00 0.00 C ATOM 1797 CG ASP A 122 -8.774 6.270 -7.198 1.00 0.00 C ATOM 1798 OD1 ASP A 122 -8.782 7.374 -6.624 1.00 0.00 O ATOM 1799 OD2 ASP A 122 -9.805 5.751 -7.678 1.00 0.00 O ATOM 0 H ASP A 122 -6.848 6.667 -5.204 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.875 4.099 -5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -6.673 6.254 -7.578 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.522 4.841 -8.172 1.00 0.00 H new ATOM 1804 N THR A 123 -5.972 2.799 -6.976 1.00 0.00 N ATOM 1805 CA THR A 123 -4.844 1.947 -7.327 1.00 0.00 C ATOM 1806 C THR A 123 -3.857 2.691 -8.229 1.00 0.00 C ATOM 1807 O THR A 123 -2.645 2.640 -8.018 1.00 0.00 O ATOM 1808 CB THR A 123 -5.331 0.662 -8.026 1.00 0.00 C ATOM 1809 OG1 THR A 123 -6.302 0.013 -7.198 1.00 0.00 O ATOM 1810 CG2 THR A 123 -4.178 -0.294 -8.300 1.00 0.00 C ATOM 0 H THR A 123 -6.882 2.424 -7.244 1.00 0.00 H new ATOM 0 HA THR A 123 -4.332 1.674 -6.405 1.00 0.00 H new ATOM 0 HB THR A 123 -5.774 0.940 -8.982 1.00 0.00 H new ATOM 0 HG1 THR A 123 -6.169 -0.957 -7.237 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.557 -1.189 -8.793 1.00 0.00 H new ATOM 0 HG22 THR A 123 -3.447 0.193 -8.945 1.00 0.00 H new ATOM 0 HG23 THR A 123 -3.704 -0.572 -7.359 1.00 0.00 H new ATOM 1818 N GLN A 124 -4.387 3.410 -9.212 1.00 0.00 N ATOM 1819 CA GLN A 124 -3.557 4.187 -10.125 1.00 0.00 C ATOM 1820 C GLN A 124 -2.903 5.364 -9.406 1.00 0.00 C ATOM 1821 O GLN A 124 -1.732 5.663 -9.630 1.00 0.00 O ATOM 1822 CB GLN A 124 -4.387 4.694 -11.304 1.00 0.00 C ATOM 1823 CG GLN A 124 -4.996 3.581 -12.142 1.00 0.00 C ATOM 1824 CD GLN A 124 -5.757 4.109 -13.345 1.00 0.00 C ATOM 1825 OE1 GLN A 124 -6.282 5.220 -13.321 1.00 0.00 O ATOM 1826 NE2 GLN A 124 -5.822 3.316 -14.404 1.00 0.00 N ATOM 0 H GLN A 124 -5.388 3.471 -9.397 1.00 0.00 H new ATOM 0 HA GLN A 124 -2.771 3.532 -10.500 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -5.186 5.333 -10.927 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -3.757 5.314 -11.941 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -4.205 2.912 -12.481 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -5.669 2.990 -11.521 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -5.373 2.401 -14.384 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -6.321 3.621 -15.239 1.00 0.00 H new ATOM 1835 N ALA A 125 -3.661 6.018 -8.533 1.00 0.00 N ATOM 1836 CA ALA A 125 -3.158 7.172 -7.794 1.00 0.00 C ATOM 1837 C ALA A 125 -2.048 6.762 -6.831 1.00 0.00 C ATOM 1838 O ALA A 125 -1.034 7.453 -6.703 1.00 0.00 O ATOM 1839 CB ALA A 125 -4.291 7.858 -7.044 1.00 0.00 C ATOM 0 H ALA A 125 -4.627 5.769 -8.319 1.00 0.00 H new ATOM 0 HA ALA A 125 -2.739 7.878 -8.511 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.899 8.716 -6.498 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.047 8.194 -7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.740 7.156 -6.342 1.00 0.00 H new ATOM 1845 N ALA A 126 -2.241 5.633 -6.162 1.00 0.00 N ATOM 1846 CA ALA A 126 -1.251 5.116 -5.231 1.00 0.00 C ATOM 1847 C ALA A 126 0.027 4.721 -5.961 1.00 0.00 C ATOM 1848 O ALA A 126 1.123 5.096 -5.551 1.00 0.00 O ATOM 1849 CB ALA A 126 -1.815 3.931 -4.462 1.00 0.00 C ATOM 0 H ALA A 126 -3.078 5.057 -6.248 1.00 0.00 H new ATOM 0 HA ALA A 126 -1.005 5.906 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.062 3.555 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.697 4.246 -3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -2.091 3.142 -5.161 1.00 0.00 H new ATOM 1855 N ALA A 127 -0.127 3.985 -7.059 1.00 0.00 N ATOM 1856 CA ALA A 127 1.012 3.515 -7.839 1.00 0.00 C ATOM 1857 C ALA A 127 1.785 4.679 -8.452 1.00 0.00 C ATOM 1858 O ALA A 127 3.018 4.674 -8.473 1.00 0.00 O ATOM 1859 CB ALA A 127 0.550 2.555 -8.926 1.00 0.00 C ATOM 0 H ALA A 127 -1.034 3.701 -7.429 1.00 0.00 H new ATOM 0 HA ALA A 127 1.684 2.986 -7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 127 1.411 2.213 -9.500 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.055 1.698 -8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -0.148 3.065 -9.589 1.00 0.00 H new ATOM 1865 N ARG A 128 1.061 5.679 -8.943 1.00 0.00 N ATOM 1866 CA ARG A 128 1.689 6.852 -9.538 1.00 0.00 C ATOM 1867 C ARG A 128 2.513 7.608 -8.499 1.00 0.00 C ATOM 1868 O ARG A 128 3.685 7.915 -8.725 1.00 0.00 O ATOM 1869 CB ARG A 128 0.635 7.777 -10.151 1.00 0.00 C ATOM 1870 CG ARG A 128 1.225 9.027 -10.793 1.00 0.00 C ATOM 1871 CD ARG A 128 0.143 9.923 -11.369 1.00 0.00 C ATOM 1872 NE ARG A 128 -0.591 9.274 -12.449 1.00 0.00 N ATOM 1873 CZ ARG A 128 -1.911 9.349 -12.597 1.00 0.00 C ATOM 1874 NH1 ARG A 128 -2.647 10.014 -11.712 1.00 0.00 N ATOM 1875 NH2 ARG A 128 -2.500 8.754 -13.623 1.00 0.00 N ATOM 0 H ARG A 128 0.041 5.701 -8.941 1.00 0.00 H new ATOM 0 HA ARG A 128 2.356 6.513 -10.330 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.070 7.224 -10.902 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -0.071 8.075 -9.376 1.00 0.00 H new ATOM 0 HG2 ARG A 128 1.800 9.581 -10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.918 8.738 -11.583 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.552 10.206 -10.578 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.595 10.843 -11.740 1.00 0.00 H new ATOM 0 HE ARG A 128 -0.061 8.731 -13.131 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.200 10.469 -10.916 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -3.659 10.069 -11.829 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -1.941 8.237 -14.302 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -3.512 8.813 -13.734 1.00 0.00 H new ATOM 1889 N THR A 129 1.901 7.887 -7.354 1.00 0.00 N ATOM 1890 CA THR A 129 2.579 8.592 -6.275 1.00 0.00 C ATOM 1891 C THR A 129 3.755 7.766 -5.754 1.00 0.00 C ATOM 1892 O THR A 129 4.805 8.304 -5.396 1.00 0.00 O ATOM 1893 CB THR A 129 1.600 8.898 -5.126 1.00 0.00 C ATOM 1894 OG1 THR A 129 0.414 9.508 -5.656 1.00 0.00 O ATOM 1895 CG2 THR A 129 2.232 9.829 -4.100 1.00 0.00 C ATOM 0 H THR A 129 0.934 7.635 -7.150 1.00 0.00 H new ATOM 0 HA THR A 129 2.958 9.535 -6.670 1.00 0.00 H new ATOM 0 HB THR A 129 1.349 7.960 -4.631 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.136 8.826 -6.096 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.518 10.028 -3.301 1.00 0.00 H new ATOM 0 HG22 THR A 129 3.123 9.360 -3.683 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.508 10.767 -4.581 1.00 0.00 H new ATOM 1903 N TYR A 130 3.568 6.451 -5.736 1.00 0.00 N ATOM 1904 CA TYR A 130 4.623 5.514 -5.366 1.00 0.00 C ATOM 1905 C TYR A 130 5.840 5.684 -6.272 1.00 0.00 C ATOM 1906 O TYR A 130 6.973 5.735 -5.799 1.00 0.00 O ATOM 1907 CB TYR A 130 4.078 4.084 -5.447 1.00 0.00 C ATOM 1908 CG TYR A 130 5.123 2.991 -5.387 1.00 0.00 C ATOM 1909 CD1 TYR A 130 5.782 2.687 -4.204 1.00 0.00 C ATOM 1910 CD2 TYR A 130 5.432 2.249 -6.520 1.00 0.00 C ATOM 1911 CE1 TYR A 130 6.724 1.678 -4.153 1.00 0.00 C ATOM 1912 CE2 TYR A 130 6.368 1.237 -6.477 1.00 0.00 C ATOM 1913 CZ TYR A 130 7.012 0.954 -5.292 1.00 0.00 C ATOM 1914 OH TYR A 130 7.947 -0.055 -5.246 1.00 0.00 O ATOM 0 H TYR A 130 2.683 6.005 -5.977 1.00 0.00 H new ATOM 0 HA TYR A 130 4.943 5.718 -4.344 1.00 0.00 H new ATOM 0 HB2 TYR A 130 3.372 3.935 -4.630 1.00 0.00 H new ATOM 0 HB3 TYR A 130 3.518 3.978 -6.376 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.555 3.248 -3.310 1.00 0.00 H new ATOM 0 HD2 TYR A 130 4.930 2.468 -7.451 1.00 0.00 H new ATOM 0 HE1 TYR A 130 7.233 1.457 -3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 130 6.595 0.669 -7.367 1.00 0.00 H new ATOM 0 HH TYR A 130 8.594 0.065 -5.973 1.00 0.00 H new ATOM 1924 N ASN A 131 5.592 5.795 -7.573 1.00 0.00 N ATOM 1925 CA ASN A 131 6.661 5.986 -8.549 1.00 0.00 C ATOM 1926 C ASN A 131 7.369 7.322 -8.321 1.00 0.00 C ATOM 1927 O ASN A 131 8.592 7.418 -8.433 1.00 0.00 O ATOM 1928 CB ASN A 131 6.092 5.931 -9.970 1.00 0.00 C ATOM 1929 CG ASN A 131 7.167 6.005 -11.040 1.00 0.00 C ATOM 1930 OD1 ASN A 131 8.280 5.508 -10.863 1.00 0.00 O ATOM 1931 ND2 ASN A 131 6.842 6.632 -12.160 1.00 0.00 N ATOM 0 H ASN A 131 4.657 5.756 -7.978 1.00 0.00 H new ATOM 0 HA ASN A 131 7.388 5.184 -8.424 1.00 0.00 H new ATOM 0 HB2 ASN A 131 5.526 5.008 -10.094 1.00 0.00 H new ATOM 0 HB3 ASN A 131 5.392 6.755 -10.108 1.00 0.00 H new ATOM 0 HD21 ASN A 131 7.524 6.716 -12.914 1.00 0.00 H new ATOM 0 HD22 ASN A 131 5.910 7.031 -12.269 1.00 0.00 H new ATOM 1938 N ILE A 132 6.592 8.347 -7.989 1.00 0.00 N ATOM 1939 CA ILE A 132 7.142 9.673 -7.723 1.00 0.00 C ATOM 1940 C ILE A 132 8.049 9.646 -6.495 1.00 0.00 C ATOM 1941 O ILE A 132 9.189 10.114 -6.540 1.00 0.00 O ATOM 1942 CB ILE A 132 6.025 10.716 -7.506 1.00 0.00 C ATOM 1943 CG1 ILE A 132 5.113 10.785 -8.735 1.00 0.00 C ATOM 1944 CG2 ILE A 132 6.624 12.086 -7.210 1.00 0.00 C ATOM 1945 CD1 ILE A 132 3.943 11.729 -8.573 1.00 0.00 C ATOM 0 H ILE A 132 5.578 8.286 -7.897 1.00 0.00 H new ATOM 0 HA ILE A 132 7.724 9.960 -8.599 1.00 0.00 H new ATOM 0 HB ILE A 132 5.427 10.409 -6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 132 5.703 11.097 -9.597 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.735 9.786 -8.952 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.822 12.809 -7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.235 12.029 -6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 132 7.244 12.401 -8.049 1.00 0.00 H new ATOM 0 HD11 ILE A 132 3.343 11.724 -9.483 1.00 0.00 H new ATOM 0 HD12 ILE A 132 3.329 11.407 -7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 132 4.312 12.738 -8.387 1.00 0.00 H new ATOM 1957 N LEU A 133 7.543 9.081 -5.405 1.00 0.00 N ATOM 1958 CA LEU A 133 8.301 9.002 -4.161 1.00 0.00 C ATOM 1959 C LEU A 133 9.490 8.057 -4.310 1.00 0.00 C ATOM 1960 O LEU A 133 10.494 8.196 -3.609 1.00 0.00 O ATOM 1961 CB LEU A 133 7.398 8.552 -3.009 1.00 0.00 C ATOM 1962 CG LEU A 133 6.241 9.500 -2.683 1.00 0.00 C ATOM 1963 CD1 LEU A 133 5.410 8.951 -1.535 1.00 0.00 C ATOM 1964 CD2 LEU A 133 6.764 10.890 -2.346 1.00 0.00 C ATOM 0 H LEU A 133 6.610 8.670 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 133 8.683 9.997 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 133 6.987 7.572 -3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 133 8.010 8.429 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 133 5.604 9.578 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.592 9.638 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 133 5.003 7.979 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 133 6.038 8.842 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.926 11.549 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.425 10.830 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.316 11.287 -3.198 1.00 0.00 H new ATOM 1976 N MET A 134 9.372 7.103 -5.227 1.00 0.00 N ATOM 1977 CA MET A 134 10.476 6.211 -5.559 1.00 0.00 C ATOM 1978 C MET A 134 11.646 7.012 -6.115 1.00 0.00 C ATOM 1979 O MET A 134 12.784 6.869 -5.663 1.00 0.00 O ATOM 1980 CB MET A 134 10.036 5.173 -6.591 1.00 0.00 C ATOM 1981 CG MET A 134 11.137 4.201 -6.987 1.00 0.00 C ATOM 1982 SD MET A 134 10.721 3.236 -8.451 1.00 0.00 S ATOM 1983 CE MET A 134 9.179 2.485 -7.938 1.00 0.00 C ATOM 0 H MET A 134 8.518 6.927 -5.756 1.00 0.00 H new ATOM 0 HA MET A 134 10.786 5.697 -4.649 1.00 0.00 H new ATOM 0 HB2 MET A 134 9.193 4.610 -6.191 1.00 0.00 H new ATOM 0 HB3 MET A 134 9.680 5.688 -7.483 1.00 0.00 H new ATOM 0 HG2 MET A 134 12.057 4.756 -7.172 1.00 0.00 H new ATOM 0 HG3 MET A 134 11.335 3.525 -6.155 1.00 0.00 H new ATOM 0 HE1 MET A 134 8.869 1.749 -8.679 1.00 0.00 H new ATOM 0 HE2 MET A 134 9.316 1.994 -6.974 1.00 0.00 H new ATOM 0 HE3 MET A 134 8.412 3.254 -7.848 1.00 0.00 H new ATOM 1993 N ALA A 135 11.352 7.860 -7.096 1.00 0.00 N ATOM 1994 CA ALA A 135 12.366 8.705 -7.712 1.00 0.00 C ATOM 1995 C ALA A 135 12.910 9.708 -6.702 1.00 0.00 C ATOM 1996 O ALA A 135 14.106 10.002 -6.684 1.00 0.00 O ATOM 1997 CB ALA A 135 11.792 9.422 -8.924 1.00 0.00 C ATOM 0 H ALA A 135 10.415 7.979 -7.482 1.00 0.00 H new ATOM 0 HA ALA A 135 13.190 8.073 -8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.561 10.050 -9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.451 8.687 -9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 135 10.952 10.044 -8.615 1.00 0.00 H new ATOM 2003 N GLU A 136 12.019 10.220 -5.858 1.00 0.00 N ATOM 2004 CA GLU A 136 12.400 11.141 -4.794 1.00 0.00 C ATOM 2005 C GLU A 136 13.382 10.474 -3.832 1.00 0.00 C ATOM 2006 O GLU A 136 14.392 11.063 -3.442 1.00 0.00 O ATOM 2007 CB GLU A 136 11.153 11.605 -4.036 1.00 0.00 C ATOM 2008 CG GLU A 136 11.441 12.619 -2.942 1.00 0.00 C ATOM 2009 CD GLU A 136 10.199 13.008 -2.172 1.00 0.00 C ATOM 2010 OE1 GLU A 136 9.413 13.833 -2.683 1.00 0.00 O ATOM 2011 OE2 GLU A 136 10.009 12.499 -1.048 1.00 0.00 O ATOM 0 H GLU A 136 11.021 10.010 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 136 12.890 12.006 -5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 136 10.449 12.040 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 136 10.664 10.737 -3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 136 12.177 12.206 -2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 136 11.884 13.511 -3.385 1.00 0.00 H new ATOM 2018 N GLY A 137 13.081 9.237 -3.470 1.00 0.00 N ATOM 2019 CA GLY A 137 13.925 8.501 -2.549 1.00 0.00 C ATOM 2020 C GLY A 137 13.309 8.399 -1.172 1.00 0.00 C ATOM 2021 O GLY A 137 14.014 8.391 -0.163 1.00 0.00 O ATOM 0 H GLY A 137 12.262 8.726 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 137 14.102 7.500 -2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 137 14.896 8.992 -2.476 1.00 0.00 H new ATOM 2025 N ARG A 138 11.989 8.321 -1.136 1.00 0.00 N ATOM 2026 CA ARG A 138 11.256 8.232 0.115 1.00 0.00 C ATOM 2027 C ARG A 138 10.858 6.784 0.387 1.00 0.00 C ATOM 2028 O ARG A 138 10.576 6.029 -0.547 1.00 0.00 O ATOM 2029 CB ARG A 138 10.016 9.132 0.047 1.00 0.00 C ATOM 2030 CG ARG A 138 9.209 9.174 1.334 1.00 0.00 C ATOM 2031 CD ARG A 138 8.049 10.152 1.238 1.00 0.00 C ATOM 2032 NE ARG A 138 8.499 11.518 0.969 1.00 0.00 N ATOM 2033 CZ ARG A 138 8.205 12.564 1.738 1.00 0.00 C ATOM 2034 NH1 ARG A 138 7.448 12.409 2.818 1.00 0.00 N ATOM 2035 NH2 ARG A 138 8.659 13.766 1.415 1.00 0.00 N ATOM 0 H ARG A 138 11.399 8.318 -1.968 1.00 0.00 H new ATOM 0 HA ARG A 138 11.891 8.570 0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 138 10.329 10.145 -0.206 1.00 0.00 H new ATOM 0 HB3 ARG A 138 9.373 8.785 -0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 138 8.828 8.178 1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 138 9.858 9.459 2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 138 7.371 9.832 0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 138 7.483 10.134 2.169 1.00 0.00 H new ATOM 0 HE ARG A 138 9.073 11.679 0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 138 7.089 11.486 3.061 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.225 13.213 3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 138 9.232 13.887 0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.436 14.570 2.002 1.00 0.00 H new ATOM 2049 N ARG A 139 10.857 6.392 1.659 1.00 0.00 N ATOM 2050 CA ARG A 139 10.443 5.046 2.049 1.00 0.00 C ATOM 2051 C ARG A 139 8.940 4.866 1.868 1.00 0.00 C ATOM 2052 O ARG A 139 8.169 4.962 2.826 1.00 0.00 O ATOM 2053 CB ARG A 139 10.822 4.757 3.503 1.00 0.00 C ATOM 2054 CG ARG A 139 12.311 4.590 3.734 1.00 0.00 C ATOM 2055 CD ARG A 139 12.634 4.553 5.220 1.00 0.00 C ATOM 2056 NE ARG A 139 14.048 4.285 5.472 1.00 0.00 N ATOM 2057 CZ ARG A 139 15.023 5.177 5.300 1.00 0.00 C ATOM 2058 NH1 ARG A 139 14.742 6.402 4.860 1.00 0.00 N ATOM 2059 NH2 ARG A 139 16.280 4.844 5.564 1.00 0.00 N ATOM 0 H ARG A 139 11.138 6.988 2.438 1.00 0.00 H new ATOM 0 HA ARG A 139 10.965 4.341 1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 139 10.457 5.570 4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 139 10.311 3.850 3.827 1.00 0.00 H new ATOM 0 HG2 ARG A 139 12.655 3.670 3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 139 12.850 5.412 3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 139 12.360 5.506 5.673 1.00 0.00 H new ATOM 0 HD3 ARG A 139 12.029 3.785 5.702 1.00 0.00 H new ATOM 0 HE ARG A 139 14.306 3.355 5.801 1.00 0.00 H new ATOM 0 HH11 ARG A 139 13.777 6.661 4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 139 15.491 7.082 4.730 1.00 0.00 H new ATOM 0 HH21 ARG A 139 16.500 3.906 5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 139 17.027 5.526 5.433 1.00 0.00 H new ATOM 2073 N VAL A 140 8.531 4.628 0.635 1.00 0.00 N ATOM 2074 CA VAL A 140 7.130 4.445 0.314 1.00 0.00 C ATOM 2075 C VAL A 140 6.824 2.978 0.026 1.00 0.00 C ATOM 2076 O VAL A 140 7.516 2.329 -0.758 1.00 0.00 O ATOM 2077 CB VAL A 140 6.710 5.321 -0.893 1.00 0.00 C ATOM 2078 CG1 VAL A 140 7.599 5.061 -2.100 1.00 0.00 C ATOM 2079 CG2 VAL A 140 5.249 5.091 -1.248 1.00 0.00 C ATOM 0 H VAL A 140 9.158 4.557 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 140 6.553 4.759 1.184 1.00 0.00 H new ATOM 0 HB VAL A 140 6.834 6.364 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.279 5.691 -2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.633 5.293 -1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 140 7.523 4.013 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 140 4.978 5.717 -2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.098 4.043 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 140 4.622 5.348 -0.394 1.00 0.00 H new ATOM 2089 N VAL A 141 5.810 2.458 0.695 1.00 0.00 N ATOM 2090 CA VAL A 141 5.329 1.113 0.432 1.00 0.00 C ATOM 2091 C VAL A 141 3.932 1.206 -0.160 1.00 0.00 C ATOM 2092 O VAL A 141 3.086 1.934 0.358 1.00 0.00 O ATOM 2093 CB VAL A 141 5.286 0.258 1.717 1.00 0.00 C ATOM 2094 CG1 VAL A 141 4.936 -1.188 1.394 1.00 0.00 C ATOM 2095 CG2 VAL A 141 6.608 0.337 2.464 1.00 0.00 C ATOM 0 H VAL A 141 5.301 2.950 1.429 1.00 0.00 H new ATOM 0 HA VAL A 141 6.015 0.630 -0.263 1.00 0.00 H new ATOM 0 HB VAL A 141 4.506 0.660 2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 141 4.912 -1.771 2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 141 3.958 -1.227 0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 141 5.687 -1.603 0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.554 -0.273 3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 141 7.410 -0.031 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 141 6.810 1.372 2.738 1.00 0.00 H new ATOM 2105 N VAL A 142 3.690 0.500 -1.250 1.00 0.00 N ATOM 2106 CA VAL A 142 2.400 0.580 -1.911 1.00 0.00 C ATOM 2107 C VAL A 142 1.669 -0.761 -1.866 1.00 0.00 C ATOM 2108 O VAL A 142 2.246 -1.810 -2.151 1.00 0.00 O ATOM 2109 CB VAL A 142 2.541 1.069 -3.374 1.00 0.00 C ATOM 2110 CG1 VAL A 142 3.283 0.055 -4.234 1.00 0.00 C ATOM 2111 CG2 VAL A 142 1.180 1.389 -3.969 1.00 0.00 C ATOM 0 H VAL A 142 4.361 -0.128 -1.692 1.00 0.00 H new ATOM 0 HA VAL A 142 1.805 1.312 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 142 3.134 1.984 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.363 0.432 -5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.281 -0.106 -3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.737 -0.888 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.303 1.730 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.558 0.494 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.701 2.172 -3.381 1.00 0.00 H new ATOM 2121 N ALA A 143 0.405 -0.714 -1.474 1.00 0.00 N ATOM 2122 CA ALA A 143 -0.444 -1.893 -1.460 1.00 0.00 C ATOM 2123 C ALA A 143 -1.519 -1.754 -2.527 1.00 0.00 C ATOM 2124 O ALA A 143 -2.402 -0.905 -2.419 1.00 0.00 O ATOM 2125 CB ALA A 143 -1.067 -2.085 -0.084 1.00 0.00 C ATOM 0 H ALA A 143 -0.058 0.138 -1.158 1.00 0.00 H new ATOM 0 HA ALA A 143 0.159 -2.774 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -1.700 -2.973 -0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -0.278 -2.208 0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -1.669 -1.212 0.168 1.00 0.00 H new ATOM 2131 N LEU A 144 -1.434 -2.570 -3.564 1.00 0.00 N ATOM 2132 CA LEU A 144 -2.326 -2.439 -4.703 1.00 0.00 C ATOM 2133 C LEU A 144 -3.363 -3.553 -4.736 1.00 0.00 C ATOM 2134 O LEU A 144 -3.016 -4.737 -4.781 1.00 0.00 O ATOM 2135 CB LEU A 144 -1.521 -2.444 -6.005 1.00 0.00 C ATOM 2136 CG LEU A 144 -0.534 -1.284 -6.167 1.00 0.00 C ATOM 2137 CD1 LEU A 144 0.245 -1.425 -7.465 1.00 0.00 C ATOM 2138 CD2 LEU A 144 -1.267 0.050 -6.128 1.00 0.00 C ATOM 0 H LEU A 144 -0.757 -3.329 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 144 -2.853 -1.490 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -0.968 -3.381 -6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -2.217 -2.427 -6.844 1.00 0.00 H new ATOM 0 HG LEU A 144 0.171 -1.314 -5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.941 -0.592 -7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.800 -2.363 -7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.447 -1.421 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.550 0.863 -6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.995 0.089 -6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -1.782 0.155 -5.173 1.00 0.00 H new ATOM 2150 N LEU A 145 -4.632 -3.163 -4.696 1.00 0.00 N ATOM 2151 CA LEU A 145 -5.731 -4.100 -4.883 1.00 0.00 C ATOM 2152 C LEU A 145 -6.153 -4.112 -6.350 1.00 0.00 C ATOM 2153 O LEU A 145 -6.429 -3.057 -6.932 1.00 0.00 O ATOM 2154 CB LEU A 145 -6.927 -3.718 -4.001 1.00 0.00 C ATOM 2155 CG LEU A 145 -6.667 -3.726 -2.492 1.00 0.00 C ATOM 2156 CD1 LEU A 145 -7.912 -3.285 -1.738 1.00 0.00 C ATOM 2157 CD2 LEU A 145 -6.234 -5.110 -2.033 1.00 0.00 C ATOM 0 H LEU A 145 -4.925 -2.199 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 145 -5.392 -5.095 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -7.263 -2.722 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -7.746 -4.405 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 145 -5.862 -3.023 -2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.711 -3.296 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -8.185 -2.276 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -8.733 -3.967 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -6.054 -5.097 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -7.019 -5.831 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -5.318 -5.395 -2.551 1.00 0.00 H new ATOM 2169 N PRO A 146 -6.184 -5.298 -6.974 1.00 0.00 N ATOM 2170 CA PRO A 146 -6.590 -5.443 -8.372 1.00 0.00 C ATOM 2171 C PRO A 146 -8.097 -5.274 -8.562 1.00 0.00 C ATOM 2172 O PRO A 146 -8.897 -6.030 -8.004 1.00 0.00 O ATOM 2173 CB PRO A 146 -6.155 -6.868 -8.723 1.00 0.00 C ATOM 2174 CG PRO A 146 -6.155 -7.602 -7.427 1.00 0.00 C ATOM 2175 CD PRO A 146 -5.820 -6.590 -6.363 1.00 0.00 C ATOM 0 HA PRO A 146 -6.141 -4.680 -9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -6.841 -7.326 -9.436 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -5.166 -6.877 -9.182 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -7.128 -8.056 -7.238 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -5.423 -8.410 -7.438 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.383 -6.772 -5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -4.763 -6.623 -6.099 1.00 0.00 H new