USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=16 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 13 THR OG1 : rot 180:sc= -0.372 USER MOD Set 1.2: A 134 MET CE :methyl -119:sc= -2.46! (180deg=-2.07!) USER MOD Set 2.1: A 121 MET CE :methyl -162:sc= -0.302 (180deg=-0.865) USER MOD Set 2.2: A 129 THR OG1 : rot 78:sc= 1.25 USER MOD Set 3.1: A 31 HIS :FLIP no HE2:sc= 0.168 F(o=0,f=0.57) USER MOD Set 3.2: A 43 SER OG : rot -146:sc= 0.4 USER MOD Single : A 12 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.59) USER MOD Single : A 15 THR OG1 : rot 102:sc= 2.34 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0711 USER MOD Single : A 21 TYR OH : rot 180:sc=-0.00459 USER MOD Single : A 25 ASN : amide:sc= -0.0942 X(o=-0.094,f=-0.11) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0474 USER MOD Single : A 47 GLN : amide:sc= -0.0141 K(o=-0.014,f=-2) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0371 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 59 GLN : amide:sc=-0.00257 K(o=-0.0026,f=-1.3) USER MOD Single : A 96 THR OG1 : rot 95:sc= 0.532 USER MOD Single : A 100 GLN : amide:sc= 0.408 K(o=0.41,f=-0.65) USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.641 F(o=-3.7!,f=-0.64) USER MOD Single : A 107 GLN : amide:sc= 0.493 K(o=0.49,f=-3.9!) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -157:sc= -1.23! USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 130 TYR OH : rot 113:sc= 0.255 USER MOD Single : A 131 ASN : amide:sc= -0.357 K(o=-0.36,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 153 N LEU A 11 15.344 -0.249 -5.791 1.00 0.00 N ATOM 154 CA LEU A 11 14.171 0.419 -6.341 1.00 0.00 C ATOM 155 C LEU A 11 13.469 -0.501 -7.335 1.00 0.00 C ATOM 156 O LEU A 11 14.111 -1.353 -7.956 1.00 0.00 O ATOM 157 CB LEU A 11 14.571 1.727 -7.034 1.00 0.00 C ATOM 158 CG LEU A 11 15.288 2.751 -6.148 1.00 0.00 C ATOM 159 CD1 LEU A 11 15.673 3.976 -6.961 1.00 0.00 C ATOM 160 CD2 LEU A 11 14.415 3.152 -4.968 1.00 0.00 C ATOM 0 HA LEU A 11 13.489 0.654 -5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.217 1.487 -7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.673 2.191 -7.442 1.00 0.00 H new ATOM 0 HG LEU A 11 16.196 2.289 -5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 11 16.181 4.694 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.339 3.680 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.775 4.433 -7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.945 3.880 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.488 3.593 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.185 2.271 -4.369 1.00 0.00 H new ATOM 172 N ASN A 12 12.163 -0.327 -7.492 1.00 0.00 N ATOM 173 CA ASN A 12 11.377 -1.177 -8.381 1.00 0.00 C ATOM 174 C ASN A 12 10.156 -0.422 -8.894 1.00 0.00 C ATOM 175 O ASN A 12 9.387 0.131 -8.114 1.00 0.00 O ATOM 176 CB ASN A 12 10.943 -2.454 -7.653 1.00 0.00 C ATOM 177 CG ASN A 12 10.203 -3.422 -8.556 1.00 0.00 C ATOM 178 OD1 ASN A 12 10.432 -3.470 -9.765 1.00 0.00 O ATOM 179 ND2 ASN A 12 9.320 -4.215 -7.970 1.00 0.00 N ATOM 0 H ASN A 12 11.624 0.396 -7.015 1.00 0.00 H new ATOM 0 HA ASN A 12 11.998 -1.455 -9.232 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.823 -2.949 -7.241 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.303 -2.188 -6.812 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.801 -4.897 -8.523 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.159 -4.144 -6.965 1.00 0.00 H new ATOM 186 N THR A 13 9.986 -0.399 -10.204 1.00 0.00 N ATOM 187 CA THR A 13 8.920 0.374 -10.824 1.00 0.00 C ATOM 188 C THR A 13 7.856 -0.538 -11.431 1.00 0.00 C ATOM 189 O THR A 13 8.177 -1.586 -11.994 1.00 0.00 O ATOM 190 CB THR A 13 9.499 1.292 -11.919 1.00 0.00 C ATOM 191 OG1 THR A 13 10.604 2.032 -11.382 1.00 0.00 O ATOM 192 CG2 THR A 13 8.451 2.261 -12.445 1.00 0.00 C ATOM 0 H THR A 13 10.574 -0.909 -10.863 1.00 0.00 H new ATOM 0 HA THR A 13 8.452 0.980 -10.048 1.00 0.00 H new ATOM 0 HB THR A 13 9.829 0.666 -12.748 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.975 2.615 -12.076 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.894 2.893 -13.215 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.618 1.701 -12.870 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.089 2.885 -11.628 1.00 0.00 H new ATOM 200 N VAL A 14 6.593 -0.146 -11.298 1.00 0.00 N ATOM 201 CA VAL A 14 5.497 -0.875 -11.922 1.00 0.00 C ATOM 202 C VAL A 14 5.577 -0.727 -13.437 1.00 0.00 C ATOM 203 O VAL A 14 5.451 0.378 -13.968 1.00 0.00 O ATOM 204 CB VAL A 14 4.123 -0.374 -11.427 1.00 0.00 C ATOM 205 CG1 VAL A 14 2.991 -1.130 -12.109 1.00 0.00 C ATOM 206 CG2 VAL A 14 4.018 -0.509 -9.915 1.00 0.00 C ATOM 0 H VAL A 14 6.304 0.673 -10.763 1.00 0.00 H new ATOM 0 HA VAL A 14 5.594 -1.924 -11.643 1.00 0.00 H new ATOM 0 HB VAL A 14 4.033 0.680 -11.688 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.034 -0.759 -11.743 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.051 -0.980 -13.187 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.077 -2.193 -11.885 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.043 -0.151 -9.585 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.134 -1.556 -9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.801 0.083 -9.442 1.00 0.00 H new ATOM 216 N THR A 15 5.801 -1.836 -14.121 1.00 0.00 N ATOM 217 CA THR A 15 5.988 -1.826 -15.559 1.00 0.00 C ATOM 218 C THR A 15 4.672 -1.634 -16.303 1.00 0.00 C ATOM 219 O THR A 15 4.572 -0.784 -17.189 1.00 0.00 O ATOM 220 CB THR A 15 6.662 -3.128 -16.017 1.00 0.00 C ATOM 221 OG1 THR A 15 6.663 -4.067 -14.934 1.00 0.00 O ATOM 222 CG2 THR A 15 8.090 -2.871 -16.474 1.00 0.00 C ATOM 0 H THR A 15 5.858 -2.762 -13.697 1.00 0.00 H new ATOM 0 HA THR A 15 6.632 -0.979 -15.798 1.00 0.00 H new ATOM 0 HB THR A 15 6.102 -3.533 -16.860 1.00 0.00 H new ATOM 0 HG1 THR A 15 5.951 -4.726 -15.072 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.544 -3.809 -16.793 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.084 -2.169 -17.307 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.666 -2.451 -15.649 1.00 0.00 H new ATOM 230 N ALA A 16 3.656 -2.409 -15.945 1.00 0.00 N ATOM 231 CA ALA A 16 2.381 -2.333 -16.639 1.00 0.00 C ATOM 232 C ALA A 16 1.208 -2.305 -15.667 1.00 0.00 C ATOM 233 O ALA A 16 1.108 -3.137 -14.760 1.00 0.00 O ATOM 234 CB ALA A 16 2.236 -3.491 -17.616 1.00 0.00 C ATOM 0 H ALA A 16 3.690 -3.090 -15.186 1.00 0.00 H new ATOM 0 HA ALA A 16 2.367 -1.397 -17.197 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.276 -3.418 -18.127 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.041 -3.451 -18.350 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.287 -4.434 -17.072 1.00 0.00 H new ATOM 240 N TYR A 17 0.329 -1.339 -15.863 1.00 0.00 N ATOM 241 CA TYR A 17 -0.887 -1.230 -15.079 1.00 0.00 C ATOM 242 C TYR A 17 -2.063 -1.704 -15.922 1.00 0.00 C ATOM 243 O TYR A 17 -2.525 -0.989 -16.814 1.00 0.00 O ATOM 244 CB TYR A 17 -1.097 0.219 -14.624 1.00 0.00 C ATOM 245 CG TYR A 17 -2.308 0.422 -13.738 1.00 0.00 C ATOM 246 CD1 TYR A 17 -2.272 0.085 -12.392 1.00 0.00 C ATOM 247 CD2 TYR A 17 -3.487 0.953 -14.251 1.00 0.00 C ATOM 248 CE1 TYR A 17 -3.375 0.271 -11.580 1.00 0.00 C ATOM 249 CE2 TYR A 17 -4.593 1.143 -13.445 1.00 0.00 C ATOM 250 CZ TYR A 17 -4.532 0.801 -12.111 1.00 0.00 C ATOM 251 OH TYR A 17 -5.632 0.989 -11.304 1.00 0.00 O ATOM 0 H TYR A 17 0.438 -0.610 -16.568 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.807 -1.854 -14.189 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.208 0.552 -14.088 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.194 0.854 -15.505 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.367 -0.329 -11.972 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.539 1.221 -15.296 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.331 0.003 -10.535 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.501 1.557 -13.858 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.364 1.372 -11.832 1.00 0.00 H new ATOM 261 N GLY A 18 -2.521 -2.918 -15.659 1.00 0.00 N ATOM 262 CA GLY A 18 -3.562 -3.509 -16.473 1.00 0.00 C ATOM 263 C GLY A 18 -4.953 -3.131 -16.011 1.00 0.00 C ATOM 264 O GLY A 18 -5.121 -2.473 -14.982 1.00 0.00 O ATOM 0 H GLY A 18 -2.189 -3.506 -14.894 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.430 -3.195 -17.508 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.460 -4.594 -16.454 1.00 0.00 H new ATOM 268 N ASP A 19 -5.951 -3.558 -16.772 1.00 0.00 N ATOM 269 CA ASP A 19 -7.337 -3.248 -16.476 1.00 0.00 C ATOM 270 C ASP A 19 -7.881 -4.188 -15.412 1.00 0.00 C ATOM 271 O ASP A 19 -8.876 -3.889 -14.748 1.00 0.00 O ATOM 272 CB ASP A 19 -8.178 -3.364 -17.748 1.00 0.00 C ATOM 273 CG ASP A 19 -7.679 -2.476 -18.871 1.00 0.00 C ATOM 274 OD1 ASP A 19 -8.044 -1.281 -18.902 1.00 0.00 O ATOM 275 OD2 ASP A 19 -6.923 -2.976 -19.733 1.00 0.00 O ATOM 0 H ASP A 19 -5.820 -4.127 -17.608 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.391 -2.227 -16.098 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.177 -4.401 -18.084 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.211 -3.104 -17.519 1.00 0.00 H new ATOM 280 N GLY A 20 -7.234 -5.333 -15.268 1.00 0.00 N ATOM 281 CA GLY A 20 -7.645 -6.295 -14.268 1.00 0.00 C ATOM 282 C GLY A 20 -6.530 -6.633 -13.302 1.00 0.00 C ATOM 283 O GLY A 20 -6.761 -6.764 -12.101 1.00 0.00 O ATOM 0 H GLY A 20 -6.429 -5.614 -15.828 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.495 -5.898 -13.713 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.984 -7.206 -14.761 1.00 0.00 H new ATOM 287 N TYR A 21 -5.316 -6.758 -13.821 1.00 0.00 N ATOM 288 CA TYR A 21 -4.178 -7.143 -12.996 1.00 0.00 C ATOM 289 C TYR A 21 -3.061 -6.114 -13.098 1.00 0.00 C ATOM 290 O TYR A 21 -3.102 -5.220 -13.941 1.00 0.00 O ATOM 291 CB TYR A 21 -3.655 -8.535 -13.392 1.00 0.00 C ATOM 292 CG TYR A 21 -3.134 -8.642 -14.814 1.00 0.00 C ATOM 293 CD1 TYR A 21 -1.896 -8.112 -15.169 1.00 0.00 C ATOM 294 CD2 TYR A 21 -3.874 -9.283 -15.800 1.00 0.00 C ATOM 295 CE1 TYR A 21 -1.418 -8.213 -16.460 1.00 0.00 C ATOM 296 CE2 TYR A 21 -3.399 -9.391 -17.094 1.00 0.00 C ATOM 297 CZ TYR A 21 -2.171 -8.854 -17.418 1.00 0.00 C ATOM 298 OH TYR A 21 -1.691 -8.962 -18.704 1.00 0.00 O ATOM 0 H TYR A 21 -5.094 -6.600 -14.804 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.518 -7.184 -11.961 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.856 -8.815 -12.706 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.458 -9.260 -13.259 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.299 -7.613 -14.420 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.837 -9.704 -15.551 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.458 -7.791 -16.717 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.987 -9.894 -17.848 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.342 -9.443 -19.257 1.00 0.00 H new ATOM 308 N ILE A 22 -2.059 -6.254 -12.247 1.00 0.00 N ATOM 309 CA ILE A 22 -0.914 -5.357 -12.253 1.00 0.00 C ATOM 310 C ILE A 22 0.359 -6.152 -12.516 1.00 0.00 C ATOM 311 O ILE A 22 0.569 -7.207 -11.922 1.00 0.00 O ATOM 312 CB ILE A 22 -0.794 -4.599 -10.912 1.00 0.00 C ATOM 313 CG1 ILE A 22 -2.086 -3.827 -10.629 1.00 0.00 C ATOM 314 CG2 ILE A 22 0.400 -3.654 -10.934 1.00 0.00 C ATOM 315 CD1 ILE A 22 -2.116 -3.164 -9.271 1.00 0.00 C ATOM 0 H ILE A 22 -2.015 -6.986 -11.538 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.057 -4.623 -13.046 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.637 -5.324 -10.114 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.219 -3.066 -11.398 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.931 -4.511 -10.708 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.467 -3.130 -9.981 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.313 -4.226 -11.099 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.276 -2.929 -11.739 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.062 -2.637 -9.144 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.016 -3.922 -8.494 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.292 -2.454 -9.194 1.00 0.00 H new ATOM 327 N GLU A 23 1.195 -5.660 -13.416 1.00 0.00 N ATOM 328 CA GLU A 23 2.409 -6.366 -13.786 1.00 0.00 C ATOM 329 C GLU A 23 3.630 -5.570 -13.346 1.00 0.00 C ATOM 330 O GLU A 23 3.810 -4.414 -13.741 1.00 0.00 O ATOM 331 CB GLU A 23 2.424 -6.624 -15.299 1.00 0.00 C ATOM 332 CG GLU A 23 3.578 -7.491 -15.786 1.00 0.00 C ATOM 333 CD GLU A 23 4.784 -6.685 -16.225 1.00 0.00 C ATOM 334 OE1 GLU A 23 5.650 -6.388 -15.383 1.00 0.00 O ATOM 335 OE2 GLU A 23 4.875 -6.356 -17.423 1.00 0.00 O ATOM 0 H GLU A 23 1.055 -4.775 -13.903 1.00 0.00 H new ATOM 0 HA GLU A 23 2.437 -7.331 -13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.485 -7.100 -15.582 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.464 -5.666 -15.817 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.875 -8.172 -14.988 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.236 -8.105 -16.619 1.00 0.00 H new ATOM 342 N VAL A 24 4.452 -6.187 -12.508 1.00 0.00 N ATOM 343 CA VAL A 24 5.650 -5.541 -11.997 1.00 0.00 C ATOM 344 C VAL A 24 6.881 -6.390 -12.295 1.00 0.00 C ATOM 345 O VAL A 24 7.044 -7.479 -11.741 1.00 0.00 O ATOM 346 CB VAL A 24 5.560 -5.290 -10.476 1.00 0.00 C ATOM 347 CG1 VAL A 24 6.757 -4.488 -9.995 1.00 0.00 C ATOM 348 CG2 VAL A 24 4.262 -4.581 -10.116 1.00 0.00 C ATOM 0 H VAL A 24 4.309 -7.138 -12.167 1.00 0.00 H new ATOM 0 HA VAL A 24 5.736 -4.578 -12.500 1.00 0.00 H new ATOM 0 HB VAL A 24 5.567 -6.257 -9.974 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.675 -4.321 -8.921 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.673 -5.039 -10.208 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.782 -3.528 -10.510 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.224 -4.416 -9.039 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.216 -3.622 -10.632 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.415 -5.197 -10.419 1.00 0.00 H new ATOM 358 N ASN A 25 7.722 -5.889 -13.196 1.00 0.00 N ATOM 359 CA ASN A 25 8.972 -6.546 -13.579 1.00 0.00 C ATOM 360 C ASN A 25 8.693 -7.916 -14.197 1.00 0.00 C ATOM 361 O ASN A 25 9.245 -8.936 -13.775 1.00 0.00 O ATOM 362 CB ASN A 25 9.922 -6.671 -12.380 1.00 0.00 C ATOM 363 CG ASN A 25 11.356 -6.957 -12.796 1.00 0.00 C ATOM 364 OD1 ASN A 25 12.144 -6.037 -13.023 1.00 0.00 O ATOM 365 ND2 ASN A 25 11.703 -8.229 -12.906 1.00 0.00 N ATOM 0 H ASN A 25 7.556 -5.010 -13.685 1.00 0.00 H new ATOM 0 HA ASN A 25 9.463 -5.925 -14.329 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.893 -5.748 -11.801 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.572 -7.469 -11.726 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.652 -8.476 -13.187 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.022 -8.962 -12.709 1.00 0.00 H new ATOM 372 N GLN A 26 7.797 -7.924 -15.181 1.00 0.00 N ATOM 373 CA GLN A 26 7.484 -9.114 -15.974 1.00 0.00 C ATOM 374 C GLN A 26 6.758 -10.163 -15.136 1.00 0.00 C ATOM 375 O GLN A 26 6.632 -11.321 -15.540 1.00 0.00 O ATOM 376 CB GLN A 26 8.752 -9.708 -16.597 1.00 0.00 C ATOM 377 CG GLN A 26 9.550 -8.706 -17.419 1.00 0.00 C ATOM 378 CD GLN A 26 10.751 -9.332 -18.095 1.00 0.00 C ATOM 379 OE1 GLN A 26 11.305 -10.319 -17.614 1.00 0.00 O ATOM 380 NE2 GLN A 26 11.171 -8.753 -19.207 1.00 0.00 N ATOM 0 H GLN A 26 7.263 -7.099 -15.454 1.00 0.00 H new ATOM 0 HA GLN A 26 6.818 -8.806 -16.780 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.387 -10.103 -15.804 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.476 -10.549 -17.232 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.902 -8.264 -18.175 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.884 -7.895 -16.772 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.682 -7.936 -19.572 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.984 -9.124 -19.700 1.00 0.00 H new ATOM 389 N VAL A 27 6.274 -9.751 -13.975 1.00 0.00 N ATOM 390 CA VAL A 27 5.501 -10.628 -13.111 1.00 0.00 C ATOM 391 C VAL A 27 4.089 -10.082 -12.954 1.00 0.00 C ATOM 392 O VAL A 27 3.877 -9.048 -12.317 1.00 0.00 O ATOM 393 CB VAL A 27 6.149 -10.788 -11.716 1.00 0.00 C ATOM 394 CG1 VAL A 27 5.350 -11.760 -10.860 1.00 0.00 C ATOM 395 CG2 VAL A 27 7.593 -11.249 -11.840 1.00 0.00 C ATOM 0 H VAL A 27 6.404 -8.808 -13.608 1.00 0.00 H new ATOM 0 HA VAL A 27 5.475 -11.611 -13.581 1.00 0.00 H new ATOM 0 HB VAL A 27 6.143 -9.814 -11.227 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.823 -11.858 -9.883 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.334 -11.385 -10.735 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.320 -12.734 -11.348 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.028 -11.354 -10.846 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.625 -12.210 -12.354 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.162 -10.514 -12.409 1.00 0.00 H new ATOM 405 N ARG A 28 3.126 -10.762 -13.562 1.00 0.00 N ATOM 406 CA ARG A 28 1.741 -10.321 -13.505 1.00 0.00 C ATOM 407 C ARG A 28 1.091 -10.797 -12.214 1.00 0.00 C ATOM 408 O ARG A 28 1.009 -11.998 -11.953 1.00 0.00 O ATOM 409 CB ARG A 28 0.946 -10.845 -14.704 1.00 0.00 C ATOM 410 CG ARG A 28 1.686 -10.750 -16.028 1.00 0.00 C ATOM 411 CD ARG A 28 0.748 -10.945 -17.211 1.00 0.00 C ATOM 412 NE ARG A 28 -0.230 -12.012 -16.985 1.00 0.00 N ATOM 413 CZ ARG A 28 -0.588 -12.905 -17.908 1.00 0.00 C ATOM 414 NH1 ARG A 28 0.029 -12.940 -19.082 1.00 0.00 N ATOM 415 NH2 ARG A 28 -1.555 -13.774 -17.648 1.00 0.00 N ATOM 0 H ARG A 28 3.278 -11.617 -14.097 1.00 0.00 H new ATOM 0 HA ARG A 28 1.734 -9.231 -13.535 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.680 -11.886 -14.523 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.013 -10.286 -14.780 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.172 -9.777 -16.105 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.474 -11.503 -16.060 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.222 -10.011 -17.410 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.334 -11.177 -18.100 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.664 -12.076 -16.064 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.782 -12.281 -19.282 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.249 -13.625 -19.784 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.024 -13.759 -16.743 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.830 -14.458 -18.353 1.00 0.00 H new ATOM 429 N PHE A 29 0.640 -9.854 -11.406 1.00 0.00 N ATOM 430 CA PHE A 29 -0.027 -10.176 -10.159 1.00 0.00 C ATOM 431 C PHE A 29 -1.539 -10.106 -10.332 1.00 0.00 C ATOM 432 O PHE A 29 -2.113 -9.026 -10.467 1.00 0.00 O ATOM 433 CB PHE A 29 0.420 -9.224 -9.048 1.00 0.00 C ATOM 434 CG PHE A 29 1.885 -9.318 -8.723 1.00 0.00 C ATOM 435 CD1 PHE A 29 2.374 -10.380 -7.977 1.00 0.00 C ATOM 436 CD2 PHE A 29 2.770 -8.346 -9.158 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.718 -10.466 -7.667 1.00 0.00 C ATOM 438 CE2 PHE A 29 4.116 -8.428 -8.853 1.00 0.00 C ATOM 439 CZ PHE A 29 4.591 -9.490 -8.109 1.00 0.00 C ATOM 0 H PHE A 29 0.725 -8.855 -11.593 1.00 0.00 H new ATOM 0 HA PHE A 29 0.247 -11.192 -9.877 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.188 -8.201 -9.343 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.157 -9.435 -8.148 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.697 -11.148 -7.634 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.405 -7.514 -9.742 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.086 -11.295 -7.080 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.796 -7.662 -9.196 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.643 -9.558 -7.873 1.00 0.00 H new ATOM 449 N SER A 30 -2.172 -11.270 -10.344 1.00 0.00 N ATOM 450 CA SER A 30 -3.620 -11.368 -10.467 1.00 0.00 C ATOM 451 C SER A 30 -4.286 -11.342 -9.092 1.00 0.00 C ATOM 452 O SER A 30 -5.466 -11.655 -8.946 1.00 0.00 O ATOM 453 CB SER A 30 -3.974 -12.654 -11.214 1.00 0.00 C ATOM 454 OG SER A 30 -3.127 -13.719 -10.808 1.00 0.00 O ATOM 0 H SER A 30 -1.699 -12.170 -10.269 1.00 0.00 H new ATOM 0 HA SER A 30 -3.990 -10.510 -11.029 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.014 -12.917 -11.023 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.878 -12.495 -12.288 1.00 0.00 H new ATOM 0 HG SER A 30 -3.370 -14.534 -11.295 1.00 0.00 H new ATOM 460 N HIS A 31 -3.513 -10.952 -8.093 1.00 0.00 N ATOM 461 CA HIS A 31 -3.998 -10.868 -6.724 1.00 0.00 C ATOM 462 C HIS A 31 -3.417 -9.637 -6.053 1.00 0.00 C ATOM 463 O HIS A 31 -2.424 -9.086 -6.527 1.00 0.00 O ATOM 464 CB HIS A 31 -3.647 -12.136 -5.928 1.00 0.00 C ATOM 465 CG HIS A 31 -2.244 -12.635 -6.130 1.00 0.00 C ATOM 466 ND1 HIS A 31 -1.762 -13.595 -6.955 1.00 0.00 N flip ATOM 467 CD2 HIS A 31 -1.154 -12.148 -5.439 1.00 0.00 C flip ATOM 468 CE1 HIS A 31 -0.409 -13.671 -6.752 1.00 0.00 C flip ATOM 469 NE2 HIS A 31 -0.066 -12.789 -5.833 1.00 0.00 N flip ATOM 0 H HIS A 31 -2.535 -10.685 -8.206 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.085 -10.786 -6.746 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.798 -11.936 -4.867 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.343 -12.927 -6.206 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.307 -14.158 -7.608 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.184 -11.367 -4.694 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.266 -14.343 -7.261 1.00 0.00 H new ATOM 478 N ALA A 32 -4.041 -9.213 -4.960 1.00 0.00 N ATOM 479 CA ALA A 32 -3.625 -8.008 -4.254 1.00 0.00 C ATOM 480 C ALA A 32 -2.177 -8.114 -3.795 1.00 0.00 C ATOM 481 O ALA A 32 -1.718 -9.189 -3.401 1.00 0.00 O ATOM 482 CB ALA A 32 -4.543 -7.751 -3.071 1.00 0.00 C ATOM 0 H ALA A 32 -4.841 -9.689 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.696 -7.166 -4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.222 -6.848 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.566 -7.622 -3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.500 -8.598 -2.387 1.00 0.00 H new ATOM 488 N ILE A 33 -1.463 -7.002 -3.859 1.00 0.00 N ATOM 489 CA ILE A 33 -0.049 -6.975 -3.517 1.00 0.00 C ATOM 490 C ILE A 33 0.292 -5.762 -2.668 1.00 0.00 C ATOM 491 O ILE A 33 -0.218 -4.665 -2.893 1.00 0.00 O ATOM 492 CB ILE A 33 0.840 -6.973 -4.779 1.00 0.00 C ATOM 493 CG1 ILE A 33 0.344 -5.923 -5.785 1.00 0.00 C ATOM 494 CG2 ILE A 33 0.870 -8.359 -5.406 1.00 0.00 C ATOM 495 CD1 ILE A 33 1.188 -5.826 -7.038 1.00 0.00 C ATOM 0 H ILE A 33 -1.842 -6.100 -4.147 1.00 0.00 H new ATOM 0 HA ILE A 33 0.150 -7.881 -2.944 1.00 0.00 H new ATOM 0 HB ILE A 33 1.857 -6.708 -4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.682 -6.161 -6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.322 -4.949 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.501 -8.343 -6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.272 -9.074 -4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.142 -8.654 -5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.774 -5.064 -7.698 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.209 -5.557 -6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.190 -6.788 -7.551 1.00 0.00 H new ATOM 507 N ALA A 34 1.141 -5.979 -1.684 1.00 0.00 N ATOM 508 CA ALA A 34 1.643 -4.912 -0.839 1.00 0.00 C ATOM 509 C ALA A 34 3.146 -5.064 -0.711 1.00 0.00 C ATOM 510 O ALA A 34 3.628 -6.005 -0.085 1.00 0.00 O ATOM 511 CB ALA A 34 0.973 -4.953 0.525 1.00 0.00 C ATOM 0 H ALA A 34 1.504 -6.902 -1.446 1.00 0.00 H new ATOM 0 HA ALA A 34 1.414 -3.945 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.362 -4.146 1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.104 -4.833 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.180 -5.910 1.003 1.00 0.00 H new ATOM 517 N PHE A 35 3.890 -4.161 -1.321 1.00 0.00 N ATOM 518 CA PHE A 35 5.327 -4.336 -1.416 1.00 0.00 C ATOM 519 C PHE A 35 6.070 -3.015 -1.374 1.00 0.00 C ATOM 520 O PHE A 35 5.501 -1.948 -1.616 1.00 0.00 O ATOM 521 CB PHE A 35 5.685 -5.082 -2.706 1.00 0.00 C ATOM 522 CG PHE A 35 5.334 -4.341 -3.971 1.00 0.00 C ATOM 523 CD1 PHE A 35 4.044 -4.375 -4.479 1.00 0.00 C ATOM 524 CD2 PHE A 35 6.300 -3.621 -4.658 1.00 0.00 C ATOM 525 CE1 PHE A 35 3.724 -3.699 -5.641 1.00 0.00 C ATOM 526 CE2 PHE A 35 5.985 -2.945 -5.821 1.00 0.00 C ATOM 527 CZ PHE A 35 4.696 -2.986 -6.314 1.00 0.00 C ATOM 0 H PHE A 35 3.530 -3.310 -1.753 1.00 0.00 H new ATOM 0 HA PHE A 35 5.636 -4.921 -0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.755 -5.290 -2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.173 -6.044 -2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.281 -4.936 -3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.311 -3.588 -4.279 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.714 -3.728 -6.022 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.746 -2.385 -6.344 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.448 -2.461 -7.225 1.00 0.00 H new ATOM 537 N ALA A 36 7.349 -3.111 -1.063 1.00 0.00 N ATOM 538 CA ALA A 36 8.249 -1.981 -1.123 1.00 0.00 C ATOM 539 C ALA A 36 9.204 -2.184 -2.289 1.00 0.00 C ATOM 540 O ALA A 36 9.452 -3.322 -2.689 1.00 0.00 O ATOM 541 CB ALA A 36 9.015 -1.846 0.187 1.00 0.00 C ATOM 0 H ALA A 36 7.792 -3.979 -0.761 1.00 0.00 H new ATOM 0 HA ALA A 36 7.683 -1.061 -1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.689 -0.991 0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.311 -1.698 1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.593 -2.752 0.365 1.00 0.00 H new ATOM 547 N PRO A 37 9.760 -1.106 -2.854 1.00 0.00 N ATOM 548 CA PRO A 37 10.678 -1.208 -3.995 1.00 0.00 C ATOM 549 C PRO A 37 12.016 -1.818 -3.595 1.00 0.00 C ATOM 550 O PRO A 37 12.861 -2.113 -4.439 1.00 0.00 O ATOM 551 CB PRO A 37 10.865 0.247 -4.431 1.00 0.00 C ATOM 552 CG PRO A 37 10.595 1.050 -3.206 1.00 0.00 C ATOM 553 CD PRO A 37 9.548 0.294 -2.437 1.00 0.00 C ATOM 0 HA PRO A 37 10.287 -1.854 -4.781 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.874 0.421 -4.804 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.178 0.510 -5.236 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.501 1.174 -2.613 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.244 2.049 -3.464 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.674 0.416 -1.361 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.543 0.638 -2.682 1.00 0.00 H new ATOM 561 N GLU A 38 12.177 -2.040 -2.299 1.00 0.00 N ATOM 562 CA GLU A 38 13.454 -2.430 -1.734 1.00 0.00 C ATOM 563 C GLU A 38 13.605 -3.946 -1.655 1.00 0.00 C ATOM 564 O GLU A 38 14.475 -4.456 -0.949 1.00 0.00 O ATOM 565 CB GLU A 38 13.605 -1.797 -0.350 1.00 0.00 C ATOM 566 CG GLU A 38 13.306 -0.304 -0.346 1.00 0.00 C ATOM 567 CD GLU A 38 13.364 0.309 1.037 1.00 0.00 C ATOM 568 OE1 GLU A 38 12.488 -0.005 1.868 1.00 0.00 O ATOM 569 OE2 GLU A 38 14.277 1.119 1.294 1.00 0.00 O ATOM 0 H GLU A 38 11.427 -1.954 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 38 14.246 -2.070 -2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.935 -2.299 0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.621 -1.960 0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.020 0.205 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.316 -0.137 -0.770 1.00 0.00 H new ATOM 576 N GLY A 39 12.774 -4.659 -2.396 1.00 0.00 N ATOM 577 CA GLY A 39 12.916 -6.102 -2.469 1.00 0.00 C ATOM 578 C GLY A 39 11.608 -6.867 -2.338 1.00 0.00 C ATOM 579 O GLY A 39 10.861 -6.985 -3.307 1.00 0.00 O ATOM 0 H GLY A 39 12.008 -4.271 -2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.382 -6.362 -3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.595 -6.429 -1.681 1.00 0.00 H new ATOM 583 N PRO A 40 11.318 -7.399 -1.134 1.00 0.00 N ATOM 584 CA PRO A 40 10.200 -8.334 -0.900 1.00 0.00 C ATOM 585 C PRO A 40 8.825 -7.800 -1.308 1.00 0.00 C ATOM 586 O PRO A 40 8.463 -6.656 -1.007 1.00 0.00 O ATOM 587 CB PRO A 40 10.239 -8.579 0.615 1.00 0.00 C ATOM 588 CG PRO A 40 11.073 -7.476 1.172 1.00 0.00 C ATOM 589 CD PRO A 40 12.065 -7.133 0.103 1.00 0.00 C ATOM 0 HA PRO A 40 10.326 -9.228 -1.511 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.236 -8.567 1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.671 -9.553 0.845 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.459 -6.612 1.427 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.577 -7.790 2.086 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.384 -6.093 0.167 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.963 -7.747 0.173 1.00 0.00 H new ATOM 597 N VAL A 41 8.068 -8.649 -1.993 1.00 0.00 N ATOM 598 CA VAL A 41 6.707 -8.336 -2.410 1.00 0.00 C ATOM 599 C VAL A 41 5.703 -9.233 -1.690 1.00 0.00 C ATOM 600 O VAL A 41 5.754 -10.456 -1.823 1.00 0.00 O ATOM 601 CB VAL A 41 6.536 -8.497 -3.936 1.00 0.00 C ATOM 602 CG1 VAL A 41 5.103 -8.202 -4.365 1.00 0.00 C ATOM 603 CG2 VAL A 41 7.511 -7.606 -4.689 1.00 0.00 C ATOM 0 H VAL A 41 8.382 -9.577 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 41 6.517 -7.296 -2.145 1.00 0.00 H new ATOM 0 HB VAL A 41 6.757 -9.535 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.014 -8.324 -5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.424 -8.893 -3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.845 -7.179 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.370 -7.738 -5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.330 -6.564 -4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.532 -7.876 -4.421 1.00 0.00 H new ATOM 613 N ALA A 42 4.790 -8.641 -0.936 1.00 0.00 N ATOM 614 CA ALA A 42 3.792 -9.413 -0.209 1.00 0.00 C ATOM 615 C ALA A 42 2.475 -9.421 -0.972 1.00 0.00 C ATOM 616 O ALA A 42 2.222 -8.544 -1.795 1.00 0.00 O ATOM 617 CB ALA A 42 3.601 -8.858 1.195 1.00 0.00 C ATOM 0 H ALA A 42 4.719 -7.631 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 42 4.145 -10.440 -0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.851 -9.449 1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.546 -8.905 1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.269 -7.822 1.134 1.00 0.00 H new ATOM 623 N SER A 43 1.641 -10.412 -0.704 1.00 0.00 N ATOM 624 CA SER A 43 0.369 -10.536 -1.392 1.00 0.00 C ATOM 625 C SER A 43 -0.785 -10.594 -0.399 1.00 0.00 C ATOM 626 O SER A 43 -0.636 -11.098 0.714 1.00 0.00 O ATOM 627 CB SER A 43 0.372 -11.779 -2.280 1.00 0.00 C ATOM 628 OG SER A 43 1.390 -11.692 -3.264 1.00 0.00 O ATOM 0 H SER A 43 1.823 -11.142 -0.015 1.00 0.00 H new ATOM 0 HA SER A 43 0.230 -9.655 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.526 -12.668 -1.668 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.599 -11.889 -2.763 1.00 0.00 H new ATOM 0 HG SER A 43 1.088 -12.131 -4.087 1.00 0.00 H new ATOM 634 N TRP A 44 -1.925 -10.068 -0.811 1.00 0.00 N ATOM 635 CA TRP A 44 -3.111 -10.029 0.027 1.00 0.00 C ATOM 636 C TRP A 44 -4.230 -10.871 -0.572 1.00 0.00 C ATOM 637 O TRP A 44 -4.444 -10.858 -1.785 1.00 0.00 O ATOM 638 CB TRP A 44 -3.615 -8.591 0.174 1.00 0.00 C ATOM 639 CG TRP A 44 -2.950 -7.785 1.248 1.00 0.00 C ATOM 640 CD1 TRP A 44 -1.887 -8.139 2.029 1.00 0.00 C ATOM 641 CD2 TRP A 44 -3.334 -6.471 1.663 1.00 0.00 C ATOM 642 NE1 TRP A 44 -1.591 -7.121 2.907 1.00 0.00 N ATOM 643 CE2 TRP A 44 -2.467 -6.086 2.698 1.00 0.00 C ATOM 644 CE3 TRP A 44 -4.334 -5.584 1.253 1.00 0.00 C ATOM 645 CZ2 TRP A 44 -2.571 -4.849 3.329 1.00 0.00 C ATOM 646 CZ3 TRP A 44 -4.436 -4.359 1.879 1.00 0.00 C ATOM 647 CH2 TRP A 44 -3.560 -4.001 2.907 1.00 0.00 C ATOM 0 H TRP A 44 -2.055 -9.656 -1.735 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.835 -10.430 1.002 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.481 -8.078 -0.778 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -4.686 -8.618 0.374 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.357 -9.078 1.967 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.843 -7.134 3.600 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.015 -5.853 0.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.895 -4.568 4.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.205 -3.666 1.570 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -3.665 -3.035 3.379 1.00 0.00 H new ATOM 658 N PRO A 45 -4.963 -11.609 0.273 1.00 0.00 N ATOM 659 CA PRO A 45 -6.199 -12.278 -0.117 1.00 0.00 C ATOM 660 C PRO A 45 -7.388 -11.327 0.018 1.00 0.00 C ATOM 661 O PRO A 45 -8.538 -11.747 0.168 1.00 0.00 O ATOM 662 CB PRO A 45 -6.318 -13.439 0.885 1.00 0.00 C ATOM 663 CG PRO A 45 -5.194 -13.268 1.866 1.00 0.00 C ATOM 664 CD PRO A 45 -4.642 -11.882 1.671 1.00 0.00 C ATOM 0 HA PRO A 45 -6.191 -12.614 -1.154 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.283 -13.417 1.392 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.247 -14.400 0.376 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.551 -13.400 2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.420 -14.017 1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.108 -11.161 2.343 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.569 -11.843 1.856 1.00 0.00 H new ATOM 672 N VAL A 46 -7.082 -10.038 -0.044 1.00 0.00 N ATOM 673 CA VAL A 46 -8.059 -8.980 0.156 1.00 0.00 C ATOM 674 C VAL A 46 -8.776 -8.660 -1.149 1.00 0.00 C ATOM 675 O VAL A 46 -8.138 -8.471 -2.185 1.00 0.00 O ATOM 676 CB VAL A 46 -7.359 -7.716 0.705 1.00 0.00 C ATOM 677 CG1 VAL A 46 -8.318 -6.546 0.832 1.00 0.00 C ATOM 678 CG2 VAL A 46 -6.717 -8.021 2.047 1.00 0.00 C ATOM 0 H VAL A 46 -6.140 -9.696 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.800 -9.320 0.880 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.587 -7.427 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.784 -5.679 1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.733 -6.307 -0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.126 -6.811 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.226 -7.125 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.483 -8.342 2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.980 -8.815 1.926 1.00 0.00 H new ATOM 688 N GLN A 47 -10.101 -8.621 -1.097 1.00 0.00 N ATOM 689 CA GLN A 47 -10.905 -8.394 -2.288 1.00 0.00 C ATOM 690 C GLN A 47 -11.627 -7.055 -2.216 1.00 0.00 C ATOM 691 O GLN A 47 -11.727 -6.338 -3.208 1.00 0.00 O ATOM 692 CB GLN A 47 -11.908 -9.532 -2.466 1.00 0.00 C ATOM 693 CG GLN A 47 -11.250 -10.882 -2.683 1.00 0.00 C ATOM 694 CD GLN A 47 -12.249 -12.016 -2.758 1.00 0.00 C ATOM 695 OE1 GLN A 47 -13.308 -11.971 -2.135 1.00 0.00 O ATOM 696 NE2 GLN A 47 -11.917 -13.040 -3.523 1.00 0.00 N ATOM 0 H GLN A 47 -10.641 -8.744 -0.241 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.239 -8.369 -3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -12.548 -9.585 -1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -12.553 -9.309 -3.316 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.669 -10.854 -3.605 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.549 -11.074 -1.871 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.028 -13.036 -4.023 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.550 -13.835 -3.614 1.00 0.00 H new ATOM 705 N ARG A 48 -12.148 -6.721 -1.049 1.00 0.00 N ATOM 706 CA ARG A 48 -12.785 -5.432 -0.854 1.00 0.00 C ATOM 707 C ARG A 48 -11.890 -4.524 -0.026 1.00 0.00 C ATOM 708 O ARG A 48 -11.190 -4.990 0.869 1.00 0.00 O ATOM 709 CB ARG A 48 -14.143 -5.570 -0.155 1.00 0.00 C ATOM 710 CG ARG A 48 -15.257 -6.158 -1.011 1.00 0.00 C ATOM 711 CD ARG A 48 -15.192 -7.676 -1.091 1.00 0.00 C ATOM 712 NE ARG A 48 -16.431 -8.230 -1.635 1.00 0.00 N ATOM 713 CZ ARG A 48 -16.654 -9.529 -1.840 1.00 0.00 C ATOM 714 NH1 ARG A 48 -15.712 -10.423 -1.573 1.00 0.00 N ATOM 715 NH2 ARG A 48 -17.832 -9.928 -2.305 1.00 0.00 N ATOM 0 H ARG A 48 -12.143 -7.322 -0.225 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.947 -4.998 -1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -14.017 -6.196 0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.456 -4.586 0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.222 -5.860 -0.600 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.196 -5.742 -2.017 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.351 -7.974 -1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.011 -8.088 -0.098 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.177 -7.577 -1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.809 -10.119 -1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.890 -11.415 -1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.561 -9.242 -2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.008 -10.920 -2.464 1.00 0.00 H new ATOM 729 N PRO A 49 -11.904 -3.212 -0.302 1.00 0.00 N ATOM 730 CA PRO A 49 -11.177 -2.229 0.509 1.00 0.00 C ATOM 731 C PRO A 49 -11.724 -2.154 1.936 1.00 0.00 C ATOM 732 O PRO A 49 -11.150 -1.499 2.804 1.00 0.00 O ATOM 733 CB PRO A 49 -11.408 -0.907 -0.227 1.00 0.00 C ATOM 734 CG PRO A 49 -12.620 -1.131 -1.062 1.00 0.00 C ATOM 735 CD PRO A 49 -12.599 -2.585 -1.437 1.00 0.00 C ATOM 0 HA PRO A 49 -10.123 -2.484 0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.560 -0.087 0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.548 -0.644 -0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.526 -0.883 -0.509 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.605 -0.499 -1.950 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.606 -2.983 -1.563 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.070 -2.752 -2.375 1.00 0.00 H new ATOM 743 N ALA A 50 -12.848 -2.825 2.159 1.00 0.00 N ATOM 744 CA ALA A 50 -13.442 -2.923 3.483 1.00 0.00 C ATOM 745 C ALA A 50 -12.888 -4.132 4.233 1.00 0.00 C ATOM 746 O ALA A 50 -13.072 -4.262 5.443 1.00 0.00 O ATOM 747 CB ALA A 50 -14.957 -3.010 3.376 1.00 0.00 C ATOM 0 H ALA A 50 -13.369 -3.313 1.431 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.184 -2.025 4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.389 -3.083 4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.339 -2.118 2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.231 -3.892 2.797 1.00 0.00 H new ATOM 753 N ASP A 51 -12.200 -5.011 3.508 1.00 0.00 N ATOM 754 CA ASP A 51 -11.595 -6.197 4.112 1.00 0.00 C ATOM 755 C ASP A 51 -10.272 -5.825 4.765 1.00 0.00 C ATOM 756 O ASP A 51 -9.733 -6.576 5.578 1.00 0.00 O ATOM 757 CB ASP A 51 -11.343 -7.297 3.071 1.00 0.00 C ATOM 758 CG ASP A 51 -12.598 -7.797 2.384 1.00 0.00 C ATOM 759 OD1 ASP A 51 -13.671 -7.816 3.019 1.00 0.00 O ATOM 760 OD2 ASP A 51 -12.512 -8.174 1.193 1.00 0.00 O ATOM 0 H ASP A 51 -12.047 -4.925 2.503 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.293 -6.579 4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.655 -6.917 2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.849 -8.137 3.558 1.00 0.00 H new ATOM 765 N ILE A 52 -9.757 -4.658 4.394 1.00 0.00 N ATOM 766 CA ILE A 52 -8.487 -4.173 4.913 1.00 0.00 C ATOM 767 C ILE A 52 -8.555 -3.992 6.426 1.00 0.00 C ATOM 768 O ILE A 52 -9.314 -3.168 6.935 1.00 0.00 O ATOM 769 CB ILE A 52 -8.081 -2.838 4.248 1.00 0.00 C ATOM 770 CG1 ILE A 52 -7.984 -3.011 2.727 1.00 0.00 C ATOM 771 CG2 ILE A 52 -6.758 -2.340 4.815 1.00 0.00 C ATOM 772 CD1 ILE A 52 -7.644 -1.736 1.986 1.00 0.00 C ATOM 0 H ILE A 52 -10.205 -4.027 3.730 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.731 -4.922 4.676 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.848 -2.094 4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.226 -3.762 2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.933 -3.395 2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.488 -1.399 4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.858 -2.184 5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.980 -3.080 4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.593 -1.939 0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.413 -0.988 2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.680 -1.361 2.330 1.00 0.00 H new ATOM 784 N THR A 53 -7.776 -4.791 7.133 1.00 0.00 N ATOM 785 CA THR A 53 -7.740 -4.754 8.583 1.00 0.00 C ATOM 786 C THR A 53 -6.390 -4.214 9.055 1.00 0.00 C ATOM 787 O THR A 53 -5.399 -4.303 8.323 1.00 0.00 O ATOM 788 CB THR A 53 -7.962 -6.171 9.152 1.00 0.00 C ATOM 789 OG1 THR A 53 -9.040 -6.810 8.452 1.00 0.00 O ATOM 790 CG2 THR A 53 -8.286 -6.132 10.637 1.00 0.00 C ATOM 0 H THR A 53 -7.152 -5.483 6.718 1.00 0.00 H new ATOM 0 HA THR A 53 -8.534 -4.098 8.941 1.00 0.00 H new ATOM 0 HB THR A 53 -7.038 -6.733 9.016 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.177 -7.710 8.814 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.436 -7.148 11.003 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.460 -5.669 11.178 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.194 -5.551 10.796 1.00 0.00 H new ATOM 798 N ALA A 54 -6.357 -3.651 10.261 1.00 0.00 N ATOM 799 CA ALA A 54 -5.118 -3.136 10.846 1.00 0.00 C ATOM 800 C ALA A 54 -4.010 -4.189 10.817 1.00 0.00 C ATOM 801 O ALA A 54 -2.850 -3.875 10.551 1.00 0.00 O ATOM 802 CB ALA A 54 -5.365 -2.672 12.274 1.00 0.00 C ATOM 0 H ALA A 54 -7.178 -3.539 10.856 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.790 -2.287 10.246 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.436 -2.291 12.699 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.116 -1.882 12.275 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.721 -3.511 12.873 1.00 0.00 H new ATOM 808 N SER A 55 -4.384 -5.438 11.076 1.00 0.00 N ATOM 809 CA SER A 55 -3.444 -6.550 11.054 1.00 0.00 C ATOM 810 C SER A 55 -2.754 -6.658 9.692 1.00 0.00 C ATOM 811 O SER A 55 -1.539 -6.836 9.607 1.00 0.00 O ATOM 812 CB SER A 55 -4.196 -7.845 11.358 1.00 0.00 C ATOM 813 OG SER A 55 -5.153 -7.637 12.383 1.00 0.00 O ATOM 0 H SER A 55 -5.341 -5.705 11.305 1.00 0.00 H new ATOM 0 HA SER A 55 -2.677 -6.378 11.809 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.693 -8.204 10.457 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.491 -8.618 11.663 1.00 0.00 H new ATOM 0 HG SER A 55 -5.626 -8.476 12.564 1.00 0.00 H new ATOM 819 N LEU A 56 -3.541 -6.520 8.631 1.00 0.00 N ATOM 820 CA LEU A 56 -3.033 -6.639 7.271 1.00 0.00 C ATOM 821 C LEU A 56 -2.116 -5.469 6.938 1.00 0.00 C ATOM 822 O LEU A 56 -1.149 -5.614 6.192 1.00 0.00 O ATOM 823 CB LEU A 56 -4.194 -6.697 6.274 1.00 0.00 C ATOM 824 CG LEU A 56 -5.212 -7.815 6.520 1.00 0.00 C ATOM 825 CD1 LEU A 56 -6.333 -7.747 5.499 1.00 0.00 C ATOM 826 CD2 LEU A 56 -4.538 -9.177 6.472 1.00 0.00 C ATOM 0 H LEU A 56 -4.540 -6.324 8.689 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.459 -7.563 7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.717 -5.741 6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.784 -6.815 5.271 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.637 -7.676 7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.047 -8.548 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.839 -6.785 5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.920 -7.859 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.279 -9.956 6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.084 -9.324 5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.767 -9.229 7.240 1.00 0.00 H new ATOM 838 N LEU A 57 -2.420 -4.309 7.510 1.00 0.00 N ATOM 839 CA LEU A 57 -1.613 -3.113 7.298 1.00 0.00 C ATOM 840 C LEU A 57 -0.226 -3.284 7.906 1.00 0.00 C ATOM 841 O LEU A 57 0.765 -2.811 7.353 1.00 0.00 O ATOM 842 CB LEU A 57 -2.304 -1.886 7.899 1.00 0.00 C ATOM 843 CG LEU A 57 -3.625 -1.494 7.235 1.00 0.00 C ATOM 844 CD1 LEU A 57 -4.262 -0.323 7.965 1.00 0.00 C ATOM 845 CD2 LEU A 57 -3.402 -1.149 5.769 1.00 0.00 C ATOM 0 H LEU A 57 -3.222 -4.172 8.126 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.505 -2.963 6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.489 -2.074 8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.621 -1.039 7.841 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.304 -2.345 7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.201 -0.058 7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.456 -0.602 9.001 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.587 0.532 7.940 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.352 -0.872 5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.706 -0.313 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.988 -2.014 5.251 1.00 0.00 H new ATOM 857 N GLN A 58 -0.159 -3.975 9.038 1.00 0.00 N ATOM 858 CA GLN A 58 1.115 -4.240 9.697 1.00 0.00 C ATOM 859 C GLN A 58 1.943 -5.224 8.877 1.00 0.00 C ATOM 860 O GLN A 58 3.173 -5.148 8.849 1.00 0.00 O ATOM 861 CB GLN A 58 0.883 -4.777 11.108 1.00 0.00 C ATOM 862 CG GLN A 58 0.133 -3.804 12.001 1.00 0.00 C ATOM 863 CD GLN A 58 -0.060 -4.322 13.410 1.00 0.00 C ATOM 864 OE1 GLN A 58 -0.156 -5.527 13.640 1.00 0.00 O ATOM 865 NE2 GLN A 58 -0.127 -3.409 14.366 1.00 0.00 N ATOM 0 H GLN A 58 -0.971 -4.362 9.519 1.00 0.00 H new ATOM 0 HA GLN A 58 1.669 -3.304 9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.323 -5.710 11.047 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.845 -5.011 11.564 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.677 -2.860 12.038 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.842 -3.593 11.561 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.043 -2.420 14.133 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.263 -3.695 15.336 1.00 0.00 H new ATOM 874 N GLN A 59 1.256 -6.143 8.207 1.00 0.00 N ATOM 875 CA GLN A 59 1.911 -7.060 7.283 1.00 0.00 C ATOM 876 C GLN A 59 2.445 -6.291 6.081 1.00 0.00 C ATOM 877 O GLN A 59 3.581 -6.493 5.654 1.00 0.00 O ATOM 878 CB GLN A 59 0.933 -8.137 6.809 1.00 0.00 C ATOM 879 CG GLN A 59 0.411 -9.032 7.922 1.00 0.00 C ATOM 880 CD GLN A 59 -0.621 -10.027 7.428 1.00 0.00 C ATOM 881 OE1 GLN A 59 -1.362 -9.756 6.485 1.00 0.00 O ATOM 882 NE2 GLN A 59 -0.671 -11.190 8.055 1.00 0.00 N ATOM 0 H GLN A 59 0.247 -6.272 8.287 1.00 0.00 H new ATOM 0 HA GLN A 59 2.738 -7.542 7.804 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.088 -7.655 6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.426 -8.756 6.060 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.245 -9.571 8.372 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.029 -8.414 8.705 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.039 -11.377 8.833 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.341 -11.900 7.760 1.00 0.00 H new ATOM 891 N ALA A 60 1.614 -5.395 5.557 1.00 0.00 N ATOM 892 CA ALA A 60 1.974 -4.580 4.402 1.00 0.00 C ATOM 893 C ALA A 60 3.140 -3.654 4.721 1.00 0.00 C ATOM 894 O ALA A 60 3.985 -3.395 3.869 1.00 0.00 O ATOM 895 CB ALA A 60 0.775 -3.770 3.936 1.00 0.00 C ATOM 0 H ALA A 60 0.678 -5.214 5.919 1.00 0.00 H new ATOM 0 HA ALA A 60 2.285 -5.251 3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.057 -3.166 3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.034 -4.445 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.441 -3.117 4.743 1.00 0.00 H new ATOM 901 N ALA A 61 3.182 -3.164 5.955 1.00 0.00 N ATOM 902 CA ALA A 61 4.248 -2.268 6.390 1.00 0.00 C ATOM 903 C ALA A 61 5.583 -3.001 6.489 1.00 0.00 C ATOM 904 O ALA A 61 6.634 -2.374 6.609 1.00 0.00 O ATOM 905 CB ALA A 61 3.890 -1.635 7.727 1.00 0.00 C ATOM 0 H ALA A 61 2.489 -3.373 6.673 1.00 0.00 H new ATOM 0 HA ALA A 61 4.354 -1.482 5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.693 -0.969 8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.966 -1.066 7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.754 -2.416 8.475 1.00 0.00 H new ATOM 911 N GLY A 62 5.529 -4.328 6.440 1.00 0.00 N ATOM 912 CA GLY A 62 6.737 -5.123 6.501 1.00 0.00 C ATOM 913 C GLY A 62 7.363 -5.114 7.878 1.00 0.00 C ATOM 914 O GLY A 62 8.587 -5.055 8.011 1.00 0.00 O ATOM 0 H GLY A 62 4.666 -4.866 6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.508 -6.150 6.215 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.456 -4.743 5.775 1.00 0.00 H new ATOM 918 N LEU A 63 6.527 -5.189 8.906 1.00 0.00 N ATOM 919 CA LEU A 63 7.005 -5.170 10.282 1.00 0.00 C ATOM 920 C LEU A 63 7.465 -6.556 10.710 1.00 0.00 C ATOM 921 O LEU A 63 6.906 -7.172 11.619 1.00 0.00 O ATOM 922 CB LEU A 63 5.923 -4.659 11.226 1.00 0.00 C ATOM 923 CG LEU A 63 5.399 -3.259 10.918 1.00 0.00 C ATOM 924 CD1 LEU A 63 4.362 -2.865 11.947 1.00 0.00 C ATOM 925 CD2 LEU A 63 6.536 -2.248 10.889 1.00 0.00 C ATOM 0 H LEU A 63 5.514 -5.264 8.812 1.00 0.00 H new ATOM 0 HA LEU A 63 7.855 -4.490 10.333 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.085 -5.356 11.204 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.317 -4.667 12.242 1.00 0.00 H new ATOM 0 HG LEU A 63 4.936 -3.268 9.931 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.990 -1.865 11.724 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.535 -3.574 11.920 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.813 -2.872 12.939 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.137 -1.258 10.668 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.032 -2.231 11.859 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.254 -2.530 10.119 1.00 0.00 H new ATOM 1274 N ALA A 88 11.032 0.268 9.165 1.00 0.00 N ATOM 1275 CA ALA A 88 9.782 0.985 9.006 1.00 0.00 C ATOM 1276 C ALA A 88 9.901 2.042 7.918 1.00 0.00 C ATOM 1277 O ALA A 88 10.856 2.824 7.894 1.00 0.00 O ATOM 1278 CB ALA A 88 9.368 1.618 10.328 1.00 0.00 C ATOM 0 HA ALA A 88 9.012 0.276 8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.428 2.154 10.196 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.240 0.839 11.080 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.140 2.315 10.655 1.00 0.00 H new ATOM 1284 N PRO A 89 8.940 2.064 6.987 1.00 0.00 N ATOM 1285 CA PRO A 89 8.890 3.071 5.932 1.00 0.00 C ATOM 1286 C PRO A 89 8.419 4.420 6.462 1.00 0.00 C ATOM 1287 O PRO A 89 8.022 4.539 7.621 1.00 0.00 O ATOM 1288 CB PRO A 89 7.870 2.496 4.949 1.00 0.00 C ATOM 1289 CG PRO A 89 6.968 1.661 5.791 1.00 0.00 C ATOM 1290 CD PRO A 89 7.829 1.097 6.888 1.00 0.00 C ATOM 0 HA PRO A 89 9.868 3.259 5.488 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.319 3.287 4.441 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.356 1.900 4.177 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.154 2.258 6.202 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.513 0.864 5.203 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.281 1.018 7.827 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.188 0.097 6.643 1.00 0.00 H new ATOM 1298 N GLU A 90 8.464 5.434 5.615 1.00 0.00 N ATOM 1299 CA GLU A 90 7.998 6.756 5.999 1.00 0.00 C ATOM 1300 C GLU A 90 6.525 6.900 5.659 1.00 0.00 C ATOM 1301 O GLU A 90 5.747 7.483 6.415 1.00 0.00 O ATOM 1302 CB GLU A 90 8.811 7.840 5.287 1.00 0.00 C ATOM 1303 CG GLU A 90 8.348 9.254 5.605 1.00 0.00 C ATOM 1304 CD GLU A 90 9.207 10.314 4.953 1.00 0.00 C ATOM 1305 OE1 GLU A 90 10.314 10.576 5.468 1.00 0.00 O ATOM 1306 OE2 GLU A 90 8.774 10.902 3.941 1.00 0.00 O ATOM 0 H GLU A 90 8.817 5.368 4.660 1.00 0.00 H new ATOM 0 HA GLU A 90 8.131 6.876 7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.860 7.738 5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.751 7.680 4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.316 9.376 5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.357 9.400 6.685 1.00 0.00 H new ATOM 1313 N VAL A 91 6.141 6.348 4.521 1.00 0.00 N ATOM 1314 CA VAL A 91 4.780 6.490 4.041 1.00 0.00 C ATOM 1315 C VAL A 91 4.265 5.182 3.436 1.00 0.00 C ATOM 1316 O VAL A 91 5.016 4.434 2.805 1.00 0.00 O ATOM 1317 CB VAL A 91 4.690 7.646 3.015 1.00 0.00 C ATOM 1318 CG1 VAL A 91 5.739 7.479 1.932 1.00 0.00 C ATOM 1319 CG2 VAL A 91 3.298 7.754 2.407 1.00 0.00 C ATOM 0 H VAL A 91 6.751 5.799 3.915 1.00 0.00 H new ATOM 0 HA VAL A 91 4.143 6.731 4.892 1.00 0.00 H new ATOM 0 HB VAL A 91 4.885 8.576 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.661 8.300 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.731 7.483 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.580 6.533 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.276 8.577 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.051 6.823 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.570 7.939 3.196 1.00 0.00 H new ATOM 1329 N LEU A 92 2.990 4.906 3.668 1.00 0.00 N ATOM 1330 CA LEU A 92 2.338 3.722 3.136 1.00 0.00 C ATOM 1331 C LEU A 92 1.190 4.140 2.224 1.00 0.00 C ATOM 1332 O LEU A 92 0.251 4.802 2.663 1.00 0.00 O ATOM 1333 CB LEU A 92 1.815 2.847 4.283 1.00 0.00 C ATOM 1334 CG LEU A 92 1.061 1.581 3.865 1.00 0.00 C ATOM 1335 CD1 LEU A 92 1.969 0.638 3.095 1.00 0.00 C ATOM 1336 CD2 LEU A 92 0.483 0.878 5.085 1.00 0.00 C ATOM 0 H LEU A 92 2.379 5.498 4.231 1.00 0.00 H new ATOM 0 HA LEU A 92 3.059 3.142 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.660 2.555 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.155 3.452 4.904 1.00 0.00 H new ATOM 0 HG LEU A 92 0.241 1.877 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.410 -0.253 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.337 1.138 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.813 0.351 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.049 -0.019 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.291 0.601 5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.207 1.548 5.598 1.00 0.00 H new ATOM 1348 N LEU A 93 1.282 3.772 0.956 1.00 0.00 N ATOM 1349 CA LEU A 93 0.259 4.134 -0.016 1.00 0.00 C ATOM 1350 C LEU A 93 -0.675 2.960 -0.264 1.00 0.00 C ATOM 1351 O LEU A 93 -0.259 1.921 -0.777 1.00 0.00 O ATOM 1352 CB LEU A 93 0.902 4.582 -1.333 1.00 0.00 C ATOM 1353 CG LEU A 93 1.791 5.824 -1.236 1.00 0.00 C ATOM 1354 CD1 LEU A 93 2.396 6.153 -2.592 1.00 0.00 C ATOM 1355 CD2 LEU A 93 0.999 7.010 -0.705 1.00 0.00 C ATOM 0 H LEU A 93 2.053 3.224 0.575 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.320 4.964 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.498 3.758 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.111 4.777 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 93 2.601 5.612 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.025 7.039 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.999 5.312 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.598 6.344 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.649 7.883 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.168 7.223 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.612 6.775 0.287 1.00 0.00 H new ATOM 1367 N VAL A 94 -1.932 3.123 0.109 1.00 0.00 N ATOM 1368 CA VAL A 94 -2.916 2.069 -0.066 1.00 0.00 C ATOM 1369 C VAL A 94 -3.878 2.409 -1.198 1.00 0.00 C ATOM 1370 O VAL A 94 -4.621 3.386 -1.121 1.00 0.00 O ATOM 1371 CB VAL A 94 -3.720 1.824 1.230 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -4.709 0.680 1.046 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -2.786 1.541 2.397 1.00 0.00 C ATOM 0 H VAL A 94 -2.296 3.975 0.535 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.370 1.159 -0.315 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.284 2.729 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.264 0.526 1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.404 0.926 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.168 -0.231 0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.373 1.371 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.190 0.655 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.125 2.394 2.549 1.00 0.00 H new ATOM 1383 N GLY A 95 -3.833 1.610 -2.252 1.00 0.00 N ATOM 1384 CA GLY A 95 -4.775 1.747 -3.340 1.00 0.00 C ATOM 1385 C GLY A 95 -5.957 0.828 -3.137 1.00 0.00 C ATOM 1386 O GLY A 95 -5.849 -0.383 -3.330 1.00 0.00 O ATOM 0 H GLY A 95 -3.152 0.861 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -5.117 2.780 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.284 1.514 -4.285 1.00 0.00 H new ATOM 1390 N THR A 96 -7.082 1.405 -2.750 1.00 0.00 N ATOM 1391 CA THR A 96 -8.247 0.636 -2.337 1.00 0.00 C ATOM 1392 C THR A 96 -9.018 0.042 -3.522 1.00 0.00 C ATOM 1393 O THR A 96 -10.076 -0.569 -3.344 1.00 0.00 O ATOM 1394 CB THR A 96 -9.171 1.506 -1.473 1.00 0.00 C ATOM 1395 OG1 THR A 96 -9.387 2.772 -2.108 1.00 0.00 O ATOM 1396 CG2 THR A 96 -8.567 1.723 -0.094 1.00 0.00 C ATOM 0 H THR A 96 -7.215 2.416 -2.713 1.00 0.00 H new ATOM 0 HA THR A 96 -7.884 -0.207 -1.749 1.00 0.00 H new ATOM 0 HB THR A 96 -10.124 0.989 -1.361 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.214 2.738 -2.632 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.237 2.342 0.503 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.427 0.760 0.398 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.603 2.223 -0.193 1.00 0.00 H new ATOM 1404 N GLY A 97 -8.485 0.224 -4.723 1.00 0.00 N ATOM 1405 CA GLY A 97 -9.021 -0.443 -5.896 1.00 0.00 C ATOM 1406 C GLY A 97 -10.333 0.129 -6.391 1.00 0.00 C ATOM 1407 O GLY A 97 -10.350 1.054 -7.205 1.00 0.00 O ATOM 0 H GLY A 97 -7.684 0.827 -4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -8.287 -0.386 -6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -9.162 -1.499 -5.667 1.00 0.00 H new ATOM 1411 N ARG A 98 -11.431 -0.425 -5.895 1.00 0.00 N ATOM 1412 CA ARG A 98 -12.756 -0.115 -6.416 1.00 0.00 C ATOM 1413 C ARG A 98 -13.144 1.326 -6.105 1.00 0.00 C ATOM 1414 O ARG A 98 -13.399 2.122 -7.008 1.00 0.00 O ATOM 1415 CB ARG A 98 -13.793 -1.076 -5.830 1.00 0.00 C ATOM 1416 CG ARG A 98 -13.316 -2.518 -5.774 1.00 0.00 C ATOM 1417 CD ARG A 98 -14.436 -3.478 -5.408 1.00 0.00 C ATOM 1418 NE ARG A 98 -13.913 -4.787 -5.026 1.00 0.00 N ATOM 1419 CZ ARG A 98 -13.753 -5.812 -5.864 1.00 0.00 C ATOM 1420 NH1 ARG A 98 -14.067 -5.692 -7.149 1.00 0.00 N ATOM 1421 NH2 ARG A 98 -13.261 -6.953 -5.410 1.00 0.00 N ATOM 0 H ARG A 98 -11.430 -1.096 -5.127 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.730 -0.235 -7.499 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -14.054 -0.748 -4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -14.703 -1.025 -6.428 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.900 -2.799 -6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.512 -2.605 -5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -15.018 -3.063 -4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -15.114 -3.588 -6.255 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.652 -4.927 -4.050 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.435 -4.809 -7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.940 -6.483 -7.781 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.007 -7.044 -4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.135 -7.742 -6.044 1.00 0.00 H new ATOM 1435 N ARG A 99 -13.211 1.648 -4.824 1.00 0.00 N ATOM 1436 CA ARG A 99 -13.533 3.001 -4.386 1.00 0.00 C ATOM 1437 C ARG A 99 -12.493 3.453 -3.378 1.00 0.00 C ATOM 1438 O ARG A 99 -11.943 2.624 -2.654 1.00 0.00 O ATOM 1439 CB ARG A 99 -14.931 3.078 -3.745 1.00 0.00 C ATOM 1440 CG ARG A 99 -16.097 2.990 -4.726 1.00 0.00 C ATOM 1441 CD ARG A 99 -16.274 1.587 -5.281 1.00 0.00 C ATOM 1442 NE ARG A 99 -17.369 1.504 -6.244 1.00 0.00 N ATOM 1443 CZ ARG A 99 -17.210 1.591 -7.565 1.00 0.00 C ATOM 1444 NH1 ARG A 99 -16.006 1.825 -8.078 1.00 0.00 N ATOM 1445 NH2 ARG A 99 -18.256 1.463 -8.370 1.00 0.00 N ATOM 0 H ARG A 99 -13.046 0.989 -4.063 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.531 3.651 -5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -15.026 2.271 -3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -15.010 4.015 -3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -17.015 3.300 -4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.931 3.686 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.348 1.269 -5.760 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.462 0.895 -4.460 1.00 0.00 H new ATOM 0 HE ARG A 99 -18.314 1.371 -5.884 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -15.202 1.938 -7.461 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.886 1.891 -9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -19.183 1.298 -7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -18.133 1.530 -9.380 1.00 0.00 H new ATOM 1459 N GLN A 100 -12.207 4.748 -3.349 1.00 0.00 N ATOM 1460 CA GLN A 100 -11.281 5.307 -2.380 1.00 0.00 C ATOM 1461 C GLN A 100 -11.848 5.151 -0.972 1.00 0.00 C ATOM 1462 O GLN A 100 -12.711 5.916 -0.545 1.00 0.00 O ATOM 1463 CB GLN A 100 -11.018 6.780 -2.692 1.00 0.00 C ATOM 1464 CG GLN A 100 -10.430 7.024 -4.075 1.00 0.00 C ATOM 1465 CD GLN A 100 -10.163 8.493 -4.347 1.00 0.00 C ATOM 1466 OE1 GLN A 100 -10.842 9.368 -3.806 1.00 0.00 O ATOM 1467 NE2 GLN A 100 -9.185 8.776 -5.197 1.00 0.00 N ATOM 0 H GLN A 100 -12.607 5.432 -3.991 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.335 4.769 -2.438 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.954 7.332 -2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.337 7.184 -1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.499 6.465 -4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.115 6.638 -4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.646 8.022 -5.624 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.972 9.747 -5.424 1.00 0.00 H new ATOM 1476 N HIS A 101 -11.373 4.136 -0.268 1.00 0.00 N ATOM 1477 CA HIS A 101 -11.902 3.800 1.044 1.00 0.00 C ATOM 1478 C HIS A 101 -11.108 4.497 2.135 1.00 0.00 C ATOM 1479 O HIS A 101 -9.910 4.264 2.287 1.00 0.00 O ATOM 1480 CB HIS A 101 -11.871 2.280 1.254 1.00 0.00 C ATOM 1481 CG HIS A 101 -12.379 1.826 2.594 1.00 0.00 C ATOM 1482 ND1 HIS A 101 -11.745 1.671 3.778 1.00 0.00 N flip ATOM 1483 CD2 HIS A 101 -13.683 1.446 2.811 1.00 0.00 C flip ATOM 1484 CE1 HIS A 101 -12.670 1.206 4.677 1.00 0.00 C flip ATOM 1485 NE2 HIS A 101 -13.831 1.079 4.069 1.00 0.00 N flip ATOM 0 H HIS A 101 -10.618 3.528 -0.585 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.935 4.142 1.098 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -12.467 1.806 0.474 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.846 1.929 1.130 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -14.465 1.448 2.066 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.477 0.980 5.715 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.697 0.753 4.498 1.00 0.00 H new ATOM 1494 N LEU A 102 -11.787 5.343 2.890 1.00 0.00 N ATOM 1495 CA LEU A 102 -11.168 6.030 4.007 1.00 0.00 C ATOM 1496 C LEU A 102 -10.842 5.042 5.117 1.00 0.00 C ATOM 1497 O LEU A 102 -11.741 4.481 5.749 1.00 0.00 O ATOM 1498 CB LEU A 102 -12.094 7.123 4.548 1.00 0.00 C ATOM 1499 CG LEU A 102 -11.550 7.899 5.751 1.00 0.00 C ATOM 1500 CD1 LEU A 102 -10.374 8.773 5.341 1.00 0.00 C ATOM 1501 CD2 LEU A 102 -12.647 8.734 6.389 1.00 0.00 C ATOM 0 H LEU A 102 -12.771 5.570 2.748 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.246 6.492 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.305 7.829 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.043 6.667 4.829 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.196 7.180 6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.003 9.315 6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.578 8.147 4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.697 9.484 4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.241 9.278 7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.036 9.443 5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.452 8.081 6.725 1.00 0.00 H new ATOM 1513 N LEU A 103 -9.560 4.802 5.323 1.00 0.00 N ATOM 1514 CA LEU A 103 -9.119 3.978 6.432 1.00 0.00 C ATOM 1515 C LEU A 103 -9.184 4.800 7.710 1.00 0.00 C ATOM 1516 O LEU A 103 -9.039 6.023 7.671 1.00 0.00 O ATOM 1517 CB LEU A 103 -7.699 3.458 6.187 1.00 0.00 C ATOM 1518 CG LEU A 103 -7.516 2.654 4.894 1.00 0.00 C ATOM 1519 CD1 LEU A 103 -6.099 2.112 4.800 1.00 0.00 C ATOM 1520 CD2 LEU A 103 -8.531 1.520 4.810 1.00 0.00 C ATOM 0 H LEU A 103 -8.808 5.165 4.738 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.773 3.111 6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.016 4.307 6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.407 2.832 7.030 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.687 3.323 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.987 1.544 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.391 2.941 4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.901 1.462 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.380 0.965 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.400 0.850 5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.540 1.933 4.826 1.00 0.00 H new ATOM 1532 N GLY A 104 -9.381 4.141 8.837 1.00 0.00 N ATOM 1533 CA GLY A 104 -9.661 4.867 10.057 1.00 0.00 C ATOM 1534 C GLY A 104 -8.492 4.894 11.017 1.00 0.00 C ATOM 1535 O GLY A 104 -7.577 4.072 10.919 1.00 0.00 O ATOM 0 H GLY A 104 -9.353 3.126 8.931 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -9.941 5.890 9.807 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.519 4.414 10.553 1.00 0.00 H new ATOM 1539 N PRO A 105 -8.515 5.832 11.979 1.00 0.00 N ATOM 1540 CA PRO A 105 -7.432 6.011 12.955 1.00 0.00 C ATOM 1541 C PRO A 105 -7.326 4.850 13.936 1.00 0.00 C ATOM 1542 O PRO A 105 -6.463 4.843 14.807 1.00 0.00 O ATOM 1543 CB PRO A 105 -7.820 7.297 13.688 1.00 0.00 C ATOM 1544 CG PRO A 105 -9.296 7.393 13.530 1.00 0.00 C ATOM 1545 CD PRO A 105 -9.606 6.803 12.185 1.00 0.00 C ATOM 0 HA PRO A 105 -6.457 6.057 12.470 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.537 7.254 14.740 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.319 8.164 13.258 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.810 6.849 14.323 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.628 8.430 13.588 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -10.582 6.319 12.174 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -9.619 7.565 11.405 1.00 0.00 H new ATOM 1553 N GLU A 106 -8.213 3.877 13.799 1.00 0.00 N ATOM 1554 CA GLU A 106 -8.151 2.671 14.609 1.00 0.00 C ATOM 1555 C GLU A 106 -7.279 1.631 13.922 1.00 0.00 C ATOM 1556 O GLU A 106 -6.723 0.739 14.560 1.00 0.00 O ATOM 1557 CB GLU A 106 -9.555 2.110 14.834 1.00 0.00 C ATOM 1558 CG GLU A 106 -10.498 3.099 15.489 1.00 0.00 C ATOM 1559 CD GLU A 106 -9.966 3.612 16.809 1.00 0.00 C ATOM 1560 OE1 GLU A 106 -10.177 2.939 17.837 1.00 0.00 O ATOM 1561 OE2 GLU A 106 -9.330 4.686 16.820 1.00 0.00 O ATOM 0 H GLU A 106 -8.986 3.899 13.133 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.715 2.920 15.577 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.973 1.800 13.876 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -9.487 1.217 15.456 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -10.664 3.940 14.815 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -11.465 2.623 15.650 1.00 0.00 H new ATOM 1568 N GLN A 107 -7.152 1.775 12.613 1.00 0.00 N ATOM 1569 CA GLN A 107 -6.400 0.831 11.804 1.00 0.00 C ATOM 1570 C GLN A 107 -4.971 1.314 11.612 1.00 0.00 C ATOM 1571 O GLN A 107 -4.014 0.570 11.815 1.00 0.00 O ATOM 1572 CB GLN A 107 -7.078 0.672 10.444 1.00 0.00 C ATOM 1573 CG GLN A 107 -8.536 0.268 10.546 1.00 0.00 C ATOM 1574 CD GLN A 107 -9.272 0.401 9.231 1.00 0.00 C ATOM 1575 OE1 GLN A 107 -8.949 1.256 8.409 1.00 0.00 O ATOM 1576 NE2 GLN A 107 -10.279 -0.433 9.033 1.00 0.00 N ATOM 0 H GLN A 107 -7.564 2.544 12.085 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.376 -0.131 12.316 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.006 1.612 9.897 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -6.540 -0.077 9.863 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.600 -0.764 10.890 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.028 0.886 11.297 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.513 -1.128 9.742 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.822 -0.382 8.171 1.00 0.00 H new ATOM 1585 N VAL A 108 -4.838 2.579 11.245 1.00 0.00 N ATOM 1586 CA VAL A 108 -3.537 3.151 10.933 1.00 0.00 C ATOM 1587 C VAL A 108 -2.831 3.665 12.184 1.00 0.00 C ATOM 1588 O VAL A 108 -1.703 4.141 12.107 1.00 0.00 O ATOM 1589 CB VAL A 108 -3.669 4.306 9.915 1.00 0.00 C ATOM 1590 CG1 VAL A 108 -4.356 3.823 8.646 1.00 0.00 C ATOM 1591 CG2 VAL A 108 -4.427 5.481 10.520 1.00 0.00 C ATOM 0 H VAL A 108 -5.617 3.231 11.156 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.939 2.351 10.498 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.666 4.647 9.657 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.440 4.650 7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.769 3.021 8.197 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.351 3.451 8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.506 6.281 9.784 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.426 5.157 10.813 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.892 5.847 11.396 1.00 0.00 H new ATOM 1601 N ARG A 109 -3.490 3.541 13.334 1.00 0.00 N ATOM 1602 CA ARG A 109 -2.977 4.104 14.586 1.00 0.00 C ATOM 1603 C ARG A 109 -1.565 3.599 14.927 1.00 0.00 C ATOM 1604 O ARG A 109 -0.656 4.412 15.115 1.00 0.00 O ATOM 1605 CB ARG A 109 -3.928 3.802 15.751 1.00 0.00 C ATOM 1606 CG ARG A 109 -3.566 4.535 17.030 1.00 0.00 C ATOM 1607 CD ARG A 109 -4.352 4.018 18.226 1.00 0.00 C ATOM 1608 NE ARG A 109 -5.787 4.290 18.129 1.00 0.00 N ATOM 1609 CZ ARG A 109 -6.586 4.412 19.193 1.00 0.00 C ATOM 1610 NH1 ARG A 109 -6.078 4.356 20.419 1.00 0.00 N ATOM 1611 NH2 ARG A 109 -7.889 4.601 19.040 1.00 0.00 N ATOM 0 H ARG A 109 -4.382 3.055 13.427 1.00 0.00 H new ATOM 0 HA ARG A 109 -2.915 5.182 14.436 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.943 4.072 15.461 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -3.926 2.729 15.943 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.499 4.423 17.222 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -3.757 5.601 16.904 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -4.197 2.943 18.318 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -3.962 4.475 19.135 1.00 0.00 H new ATOM 0 HE ARG A 109 -6.198 4.392 17.201 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -5.076 4.220 20.550 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -6.690 4.449 21.229 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -8.290 4.654 18.104 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -8.491 4.693 19.859 1.00 0.00 H new ATOM 1625 N PRO A 110 -1.344 2.263 15.020 1.00 0.00 N ATOM 1626 CA PRO A 110 -0.030 1.716 15.391 1.00 0.00 C ATOM 1627 C PRO A 110 1.076 2.169 14.443 1.00 0.00 C ATOM 1628 O PRO A 110 2.184 2.491 14.873 1.00 0.00 O ATOM 1629 CB PRO A 110 -0.223 0.198 15.295 1.00 0.00 C ATOM 1630 CG PRO A 110 -1.691 -0.009 15.428 1.00 0.00 C ATOM 1631 CD PRO A 110 -2.331 1.187 14.786 1.00 0.00 C ATOM 0 HA PRO A 110 0.281 2.055 16.379 1.00 0.00 H new ATOM 0 HB2 PRO A 110 0.146 -0.188 14.345 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.322 -0.321 16.083 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.002 -0.931 14.936 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -1.981 -0.093 16.475 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.508 1.027 13.722 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.295 1.419 15.238 1.00 0.00 H new ATOM 1639 N LEU A 111 0.758 2.215 13.156 1.00 0.00 N ATOM 1640 CA LEU A 111 1.729 2.598 12.140 1.00 0.00 C ATOM 1641 C LEU A 111 1.982 4.099 12.186 1.00 0.00 C ATOM 1642 O LEU A 111 3.122 4.549 12.083 1.00 0.00 O ATOM 1643 CB LEU A 111 1.235 2.188 10.751 1.00 0.00 C ATOM 1644 CG LEU A 111 0.962 0.692 10.576 1.00 0.00 C ATOM 1645 CD1 LEU A 111 0.463 0.403 9.171 1.00 0.00 C ATOM 1646 CD2 LEU A 111 2.212 -0.119 10.874 1.00 0.00 C ATOM 0 H LEU A 111 -0.168 1.991 12.790 1.00 0.00 H new ATOM 0 HA LEU A 111 2.666 2.080 12.345 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.319 2.737 10.531 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.976 2.495 10.013 1.00 0.00 H new ATOM 0 HG LEU A 111 0.187 0.400 11.285 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.274 -0.665 9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.460 0.954 8.992 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.216 0.712 8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.997 -1.180 10.744 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.009 0.176 10.191 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.528 0.064 11.901 1.00 0.00 H new ATOM 1658 N LEU A 112 0.912 4.861 12.372 1.00 0.00 N ATOM 1659 CA LEU A 112 0.995 6.315 12.448 1.00 0.00 C ATOM 1660 C LEU A 112 1.876 6.740 13.618 1.00 0.00 C ATOM 1661 O LEU A 112 2.622 7.715 13.526 1.00 0.00 O ATOM 1662 CB LEU A 112 -0.406 6.911 12.604 1.00 0.00 C ATOM 1663 CG LEU A 112 -0.494 8.428 12.456 1.00 0.00 C ATOM 1664 CD1 LEU A 112 -0.083 8.844 11.054 1.00 0.00 C ATOM 1665 CD2 LEU A 112 -1.902 8.908 12.760 1.00 0.00 C ATOM 0 H LEU A 112 -0.033 4.492 12.474 1.00 0.00 H new ATOM 0 HA LEU A 112 1.441 6.686 11.525 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.062 6.452 11.864 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.792 6.636 13.586 1.00 0.00 H new ATOM 0 HG LEU A 112 0.189 8.888 13.170 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.150 9.928 10.962 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.943 8.527 10.866 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.746 8.376 10.327 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.949 9.991 12.650 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.603 8.442 12.067 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.167 8.635 13.782 1.00 0.00 H new ATOM 1677 N ALA A 113 1.790 5.987 14.711 1.00 0.00 N ATOM 1678 CA ALA A 113 2.596 6.252 15.896 1.00 0.00 C ATOM 1679 C ALA A 113 4.072 5.973 15.627 1.00 0.00 C ATOM 1680 O ALA A 113 4.950 6.573 16.245 1.00 0.00 O ATOM 1681 CB ALA A 113 2.103 5.419 17.067 1.00 0.00 C ATOM 0 H ALA A 113 1.166 5.185 14.799 1.00 0.00 H new ATOM 0 HA ALA A 113 2.492 7.307 16.149 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.715 5.628 17.945 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.064 5.670 17.280 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.176 4.361 16.817 1.00 0.00 H new ATOM 1687 N MET A 114 4.335 5.061 14.696 1.00 0.00 N ATOM 1688 CA MET A 114 5.704 4.733 14.303 1.00 0.00 C ATOM 1689 C MET A 114 6.218 5.753 13.295 1.00 0.00 C ATOM 1690 O MET A 114 7.401 5.768 12.950 1.00 0.00 O ATOM 1691 CB MET A 114 5.775 3.328 13.696 1.00 0.00 C ATOM 1692 CG MET A 114 5.378 2.219 14.656 1.00 0.00 C ATOM 1693 SD MET A 114 5.406 0.591 13.880 1.00 0.00 S ATOM 1694 CE MET A 114 4.823 -0.439 15.226 1.00 0.00 C ATOM 0 H MET A 114 3.617 4.534 14.198 1.00 0.00 H new ATOM 0 HA MET A 114 6.329 4.759 15.195 1.00 0.00 H new ATOM 0 HB2 MET A 114 5.125 3.288 12.822 1.00 0.00 H new ATOM 0 HB3 MET A 114 6.791 3.145 13.346 1.00 0.00 H new ATOM 0 HG2 MET A 114 6.055 2.223 15.510 1.00 0.00 H new ATOM 0 HG3 MET A 114 4.378 2.417 15.041 1.00 0.00 H new ATOM 0 HE1 MET A 114 4.786 -1.478 14.899 1.00 0.00 H new ATOM 0 HE2 MET A 114 5.503 -0.349 16.074 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.826 -0.117 15.525 1.00 0.00 H new ATOM 1704 N GLY A 115 5.313 6.600 12.820 1.00 0.00 N ATOM 1705 CA GLY A 115 5.676 7.621 11.862 1.00 0.00 C ATOM 1706 C GLY A 115 5.298 7.241 10.449 1.00 0.00 C ATOM 1707 O GLY A 115 5.523 8.006 9.514 1.00 0.00 O ATOM 0 H GLY A 115 4.328 6.595 13.085 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.185 8.557 12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.750 7.799 11.913 1.00 0.00 H new ATOM 1711 N VAL A 116 4.716 6.062 10.294 1.00 0.00 N ATOM 1712 CA VAL A 116 4.328 5.575 8.980 1.00 0.00 C ATOM 1713 C VAL A 116 3.016 6.216 8.543 1.00 0.00 C ATOM 1714 O VAL A 116 1.942 5.852 9.029 1.00 0.00 O ATOM 1715 CB VAL A 116 4.181 4.038 8.961 1.00 0.00 C ATOM 1716 CG1 VAL A 116 3.888 3.542 7.552 1.00 0.00 C ATOM 1717 CG2 VAL A 116 5.430 3.371 9.518 1.00 0.00 C ATOM 0 H VAL A 116 4.502 5.425 11.062 1.00 0.00 H new ATOM 0 HA VAL A 116 5.121 5.851 8.285 1.00 0.00 H new ATOM 0 HB VAL A 116 3.339 3.769 9.598 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.788 2.457 7.562 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.960 3.988 7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.706 3.825 6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.305 2.288 9.495 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.292 3.650 8.912 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.589 3.697 10.546 1.00 0.00 H new ATOM 1727 N GLY A 117 3.115 7.186 7.647 1.00 0.00 N ATOM 1728 CA GLY A 117 1.935 7.859 7.145 1.00 0.00 C ATOM 1729 C GLY A 117 1.162 6.994 6.171 1.00 0.00 C ATOM 1730 O GLY A 117 1.552 6.851 5.014 1.00 0.00 O ATOM 0 H GLY A 117 3.996 7.521 7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 117 1.289 8.131 7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 117 2.228 8.787 6.653 1.00 0.00 H new ATOM 1734 N VAL A 118 0.078 6.400 6.643 1.00 0.00 N ATOM 1735 CA VAL A 118 -0.746 5.542 5.805 1.00 0.00 C ATOM 1736 C VAL A 118 -1.815 6.359 5.089 1.00 0.00 C ATOM 1737 O VAL A 118 -2.748 6.862 5.717 1.00 0.00 O ATOM 1738 CB VAL A 118 -1.424 4.427 6.629 1.00 0.00 C ATOM 1739 CG1 VAL A 118 -2.176 3.465 5.719 1.00 0.00 C ATOM 1740 CG2 VAL A 118 -0.399 3.681 7.471 1.00 0.00 C ATOM 0 H VAL A 118 -0.253 6.496 7.603 1.00 0.00 H new ATOM 0 HA VAL A 118 -0.087 5.079 5.071 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.144 4.892 7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.646 2.687 6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.942 4.010 5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.479 3.008 5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.898 2.899 8.044 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.349 3.231 6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 118 0.087 4.378 8.154 1.00 0.00 H new ATOM 1750 N GLU A 119 -1.666 6.492 3.780 1.00 0.00 N ATOM 1751 CA GLU A 119 -2.603 7.256 2.968 1.00 0.00 C ATOM 1752 C GLU A 119 -3.403 6.328 2.063 1.00 0.00 C ATOM 1753 O GLU A 119 -2.847 5.419 1.445 1.00 0.00 O ATOM 1754 CB GLU A 119 -1.856 8.293 2.126 1.00 0.00 C ATOM 1755 CG GLU A 119 -1.252 9.422 2.945 1.00 0.00 C ATOM 1756 CD GLU A 119 -2.307 10.321 3.557 1.00 0.00 C ATOM 1757 OE1 GLU A 119 -2.808 10.005 4.655 1.00 0.00 O ATOM 1758 OE2 GLU A 119 -2.643 11.353 2.939 1.00 0.00 O ATOM 0 H GLU A 119 -0.898 6.077 3.253 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.292 7.774 3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.062 7.794 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.542 8.715 1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.633 9.001 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.596 10.017 2.310 1.00 0.00 H new ATOM 1765 N ALA A 120 -4.704 6.562 1.986 1.00 0.00 N ATOM 1766 CA ALA A 120 -5.584 5.725 1.184 1.00 0.00 C ATOM 1767 C ALA A 120 -6.054 6.462 -0.063 1.00 0.00 C ATOM 1768 O ALA A 120 -6.608 7.557 0.021 1.00 0.00 O ATOM 1769 CB ALA A 120 -6.773 5.266 2.012 1.00 0.00 C ATOM 0 H ALA A 120 -5.175 7.326 2.470 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.021 4.848 0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.423 4.641 1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.420 4.692 2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.330 6.135 2.362 1.00 0.00 H new ATOM 1775 N MET A 121 -5.820 5.853 -1.216 1.00 0.00 N ATOM 1776 CA MET A 121 -6.223 6.412 -2.501 1.00 0.00 C ATOM 1777 C MET A 121 -6.652 5.282 -3.426 1.00 0.00 C ATOM 1778 O MET A 121 -6.769 4.137 -2.994 1.00 0.00 O ATOM 1779 CB MET A 121 -5.073 7.197 -3.149 1.00 0.00 C ATOM 1780 CG MET A 121 -4.688 8.470 -2.409 1.00 0.00 C ATOM 1781 SD MET A 121 -3.327 9.353 -3.203 1.00 0.00 S ATOM 1782 CE MET A 121 -2.018 8.134 -3.091 1.00 0.00 C ATOM 0 H MET A 121 -5.344 4.954 -1.289 1.00 0.00 H new ATOM 0 HA MET A 121 -7.053 7.099 -2.335 1.00 0.00 H new ATOM 0 HB2 MET A 121 -4.198 6.550 -3.214 1.00 0.00 H new ATOM 0 HB3 MET A 121 -5.355 7.455 -4.170 1.00 0.00 H new ATOM 0 HG2 MET A 121 -5.556 9.127 -2.349 1.00 0.00 H new ATOM 0 HG3 MET A 121 -4.406 8.220 -1.386 1.00 0.00 H new ATOM 0 HE1 MET A 121 -1.054 8.621 -3.236 1.00 0.00 H new ATOM 0 HE2 MET A 121 -2.042 7.663 -2.108 1.00 0.00 H new ATOM 0 HE3 MET A 121 -2.161 7.375 -3.860 1.00 0.00 H new ATOM 1792 N ASP A 122 -6.892 5.592 -4.689 1.00 0.00 N ATOM 1793 CA ASP A 122 -7.212 4.562 -5.668 1.00 0.00 C ATOM 1794 C ASP A 122 -5.928 3.940 -6.204 1.00 0.00 C ATOM 1795 O ASP A 122 -4.841 4.495 -6.028 1.00 0.00 O ATOM 1796 CB ASP A 122 -8.043 5.132 -6.819 1.00 0.00 C ATOM 1797 CG ASP A 122 -7.319 6.229 -7.563 1.00 0.00 C ATOM 1798 OD1 ASP A 122 -7.394 7.392 -7.115 1.00 0.00 O ATOM 1799 OD2 ASP A 122 -6.666 5.930 -8.586 1.00 0.00 O ATOM 0 H ASP A 122 -6.872 6.542 -5.061 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.806 3.793 -5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -8.295 4.331 -7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.983 5.521 -6.427 1.00 0.00 H new ATOM 1804 N THR A 123 -6.059 2.796 -6.858 1.00 0.00 N ATOM 1805 CA THR A 123 -4.907 2.028 -7.311 1.00 0.00 C ATOM 1806 C THR A 123 -4.086 2.786 -8.359 1.00 0.00 C ATOM 1807 O THR A 123 -2.858 2.685 -8.387 1.00 0.00 O ATOM 1808 CB THR A 123 -5.362 0.673 -7.889 1.00 0.00 C ATOM 1809 OG1 THR A 123 -6.248 0.033 -6.963 1.00 0.00 O ATOM 1810 CG2 THR A 123 -4.176 -0.238 -8.160 1.00 0.00 C ATOM 0 H THR A 123 -6.959 2.375 -7.089 1.00 0.00 H new ATOM 0 HA THR A 123 -4.269 1.862 -6.443 1.00 0.00 H new ATOM 0 HB THR A 123 -5.874 0.860 -8.833 1.00 0.00 H new ATOM 0 HG1 THR A 123 -6.250 -0.933 -7.126 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.530 -1.185 -8.567 1.00 0.00 H new ATOM 0 HG22 THR A 123 -3.508 0.238 -8.878 1.00 0.00 H new ATOM 0 HG23 THR A 123 -3.638 -0.421 -7.230 1.00 0.00 H new ATOM 1818 N GLN A 124 -4.758 3.568 -9.193 1.00 0.00 N ATOM 1819 CA GLN A 124 -4.084 4.254 -10.286 1.00 0.00 C ATOM 1820 C GLN A 124 -3.287 5.444 -9.762 1.00 0.00 C ATOM 1821 O GLN A 124 -2.116 5.621 -10.112 1.00 0.00 O ATOM 1822 CB GLN A 124 -5.093 4.711 -11.340 1.00 0.00 C ATOM 1823 CG GLN A 124 -4.444 5.101 -12.656 1.00 0.00 C ATOM 1824 CD GLN A 124 -5.443 5.569 -13.693 1.00 0.00 C ATOM 1825 OE1 GLN A 124 -6.608 5.167 -13.687 1.00 0.00 O ATOM 1826 NE2 GLN A 124 -4.984 6.400 -14.612 1.00 0.00 N ATOM 0 H GLN A 124 -5.761 3.742 -9.135 1.00 0.00 H new ATOM 0 HA GLN A 124 -3.392 3.553 -10.753 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -5.810 3.910 -11.519 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.654 5.561 -10.953 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.718 5.894 -12.476 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -3.893 4.247 -13.050 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -4.012 6.709 -14.581 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -5.601 6.733 -15.353 1.00 0.00 H new ATOM 1835 N ALA A 125 -3.919 6.250 -8.917 1.00 0.00 N ATOM 1836 CA ALA A 125 -3.250 7.393 -8.307 1.00 0.00 C ATOM 1837 C ALA A 125 -2.102 6.933 -7.417 1.00 0.00 C ATOM 1838 O ALA A 125 -1.048 7.573 -7.360 1.00 0.00 O ATOM 1839 CB ALA A 125 -4.234 8.226 -7.504 1.00 0.00 C ATOM 0 H ALA A 125 -4.893 6.133 -8.639 1.00 0.00 H new ATOM 0 HA ALA A 125 -2.843 8.012 -9.107 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.714 9.073 -7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.024 8.590 -8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.672 7.613 -6.716 1.00 0.00 H new ATOM 1845 N ALA A 126 -2.310 5.816 -6.728 1.00 0.00 N ATOM 1846 CA ALA A 126 -1.284 5.245 -5.869 1.00 0.00 C ATOM 1847 C ALA A 126 -0.062 4.840 -6.682 1.00 0.00 C ATOM 1848 O ALA A 126 1.068 5.107 -6.283 1.00 0.00 O ATOM 1849 CB ALA A 126 -1.830 4.052 -5.100 1.00 0.00 C ATOM 0 H ALA A 126 -3.183 5.288 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.981 6.008 -5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.047 3.640 -4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.669 4.371 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -2.166 3.289 -5.802 1.00 0.00 H new ATOM 1855 N ALA A 127 -0.298 4.213 -7.832 1.00 0.00 N ATOM 1856 CA ALA A 127 0.784 3.779 -8.710 1.00 0.00 C ATOM 1857 C ALA A 127 1.599 4.972 -9.201 1.00 0.00 C ATOM 1858 O ALA A 127 2.831 4.944 -9.180 1.00 0.00 O ATOM 1859 CB ALA A 127 0.228 2.994 -9.889 1.00 0.00 C ATOM 0 H ALA A 127 -1.232 3.994 -8.178 1.00 0.00 H new ATOM 0 HA ALA A 127 1.446 3.128 -8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 127 1.047 2.677 -10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -0.305 2.117 -9.523 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -0.457 3.625 -10.456 1.00 0.00 H new ATOM 1865 N ARG A 128 0.903 6.023 -9.629 1.00 0.00 N ATOM 1866 CA ARG A 128 1.558 7.242 -10.093 1.00 0.00 C ATOM 1867 C ARG A 128 2.410 7.851 -8.986 1.00 0.00 C ATOM 1868 O ARG A 128 3.593 8.142 -9.181 1.00 0.00 O ATOM 1869 CB ARG A 128 0.526 8.270 -10.559 1.00 0.00 C ATOM 1870 CG ARG A 128 -0.219 7.881 -11.825 1.00 0.00 C ATOM 1871 CD ARG A 128 -1.194 8.973 -12.229 1.00 0.00 C ATOM 1872 NE ARG A 128 -1.870 8.686 -13.492 1.00 0.00 N ATOM 1873 CZ ARG A 128 -2.714 9.529 -14.084 1.00 0.00 C ATOM 1874 NH1 ARG A 128 -2.991 10.702 -13.526 1.00 0.00 N ATOM 1875 NH2 ARG A 128 -3.279 9.200 -15.238 1.00 0.00 N ATOM 0 H ARG A 128 -0.116 6.054 -9.664 1.00 0.00 H new ATOM 0 HA ARG A 128 2.199 6.973 -10.933 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -0.198 8.428 -9.760 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.029 9.222 -10.726 1.00 0.00 H new ATOM 0 HG2 ARG A 128 0.492 7.704 -12.632 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -0.757 6.947 -11.664 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -1.939 9.098 -11.443 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.659 9.919 -12.315 1.00 0.00 H new ATOM 0 HE ARG A 128 -1.685 7.791 -13.945 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.557 10.961 -12.640 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -3.638 11.344 -13.983 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -3.067 8.301 -15.672 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -3.926 9.845 -15.692 1.00 0.00 H new ATOM 1889 N THR A 129 1.799 8.029 -7.821 1.00 0.00 N ATOM 1890 CA THR A 129 2.478 8.627 -6.680 1.00 0.00 C ATOM 1891 C THR A 129 3.665 7.768 -6.246 1.00 0.00 C ATOM 1892 O THR A 129 4.725 8.289 -5.905 1.00 0.00 O ATOM 1893 CB THR A 129 1.509 8.807 -5.492 1.00 0.00 C ATOM 1894 OG1 THR A 129 0.308 9.458 -5.936 1.00 0.00 O ATOM 1895 CG2 THR A 129 2.149 9.631 -4.383 1.00 0.00 C ATOM 0 H THR A 129 0.830 7.766 -7.642 1.00 0.00 H new ATOM 0 HA THR A 129 2.841 9.607 -6.989 1.00 0.00 H new ATOM 0 HB THR A 129 1.270 7.819 -5.098 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.267 8.808 -6.392 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.444 9.742 -3.559 1.00 0.00 H new ATOM 0 HG22 THR A 129 3.047 9.126 -4.027 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.415 10.615 -4.768 1.00 0.00 H new ATOM 1903 N TYR A 130 3.478 6.453 -6.286 1.00 0.00 N ATOM 1904 CA TYR A 130 4.516 5.499 -5.902 1.00 0.00 C ATOM 1905 C TYR A 130 5.785 5.701 -6.726 1.00 0.00 C ATOM 1906 O TYR A 130 6.878 5.809 -6.173 1.00 0.00 O ATOM 1907 CB TYR A 130 3.984 4.073 -6.078 1.00 0.00 C ATOM 1908 CG TYR A 130 4.994 2.982 -5.806 1.00 0.00 C ATOM 1909 CD1 TYR A 130 5.466 2.745 -4.522 1.00 0.00 C ATOM 1910 CD2 TYR A 130 5.461 2.176 -6.837 1.00 0.00 C ATOM 1911 CE1 TYR A 130 6.380 1.737 -4.274 1.00 0.00 C ATOM 1912 CE2 TYR A 130 6.369 1.166 -6.597 1.00 0.00 C ATOM 1913 CZ TYR A 130 6.824 0.950 -5.316 1.00 0.00 C ATOM 1914 OH TYR A 130 7.722 -0.061 -5.072 1.00 0.00 O ATOM 0 H TYR A 130 2.605 6.018 -6.585 1.00 0.00 H new ATOM 0 HA TYR A 130 4.774 5.665 -4.856 1.00 0.00 H new ATOM 0 HB2 TYR A 130 3.132 3.934 -5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 130 3.615 3.961 -7.097 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.114 3.357 -3.705 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.107 2.343 -7.843 1.00 0.00 H new ATOM 0 HE1 TYR A 130 6.744 1.567 -3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 130 6.721 0.548 -7.410 1.00 0.00 H new ATOM 0 HH TYR A 130 7.291 -0.927 -5.231 1.00 0.00 H new ATOM 1924 N ASN A 131 5.630 5.771 -8.043 1.00 0.00 N ATOM 1925 CA ASN A 131 6.770 5.934 -8.943 1.00 0.00 C ATOM 1926 C ASN A 131 7.521 7.232 -8.654 1.00 0.00 C ATOM 1927 O ASN A 131 8.751 7.245 -8.581 1.00 0.00 O ATOM 1928 CB ASN A 131 6.311 5.917 -10.406 1.00 0.00 C ATOM 1929 CG ASN A 131 5.780 4.562 -10.844 1.00 0.00 C ATOM 1930 OD1 ASN A 131 6.198 3.520 -10.341 1.00 0.00 O ATOM 1931 ND2 ASN A 131 4.853 4.570 -11.789 1.00 0.00 N ATOM 0 H ASN A 131 4.726 5.718 -8.513 1.00 0.00 H new ATOM 0 HA ASN A 131 7.446 5.097 -8.771 1.00 0.00 H new ATOM 0 HB2 ASN A 131 5.534 6.669 -10.546 1.00 0.00 H new ATOM 0 HB3 ASN A 131 7.147 6.199 -11.047 1.00 0.00 H new ATOM 0 HD21 ASN A 131 4.459 3.691 -12.125 1.00 0.00 H new ATOM 0 HD22 ASN A 131 4.532 5.455 -12.181 1.00 0.00 H new ATOM 1938 N ILE A 132 6.774 8.315 -8.472 1.00 0.00 N ATOM 1939 CA ILE A 132 7.366 9.624 -8.211 1.00 0.00 C ATOM 1940 C ILE A 132 8.033 9.657 -6.837 1.00 0.00 C ATOM 1941 O ILE A 132 9.154 10.151 -6.683 1.00 0.00 O ATOM 1942 CB ILE A 132 6.300 10.739 -8.285 1.00 0.00 C ATOM 1943 CG1 ILE A 132 5.615 10.729 -9.655 1.00 0.00 C ATOM 1944 CG2 ILE A 132 6.929 12.100 -8.011 1.00 0.00 C ATOM 1945 CD1 ILE A 132 4.466 11.708 -9.769 1.00 0.00 C ATOM 0 H ILE A 132 5.754 8.313 -8.500 1.00 0.00 H new ATOM 0 HA ILE A 132 8.119 9.799 -8.980 1.00 0.00 H new ATOM 0 HB ILE A 132 5.547 10.550 -7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 132 6.354 10.959 -10.422 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.246 9.724 -9.859 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.163 12.873 -8.067 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.373 12.102 -7.016 1.00 0.00 H new ATOM 0 HG23 ILE A 132 7.701 12.300 -8.754 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.031 11.644 -10.766 1.00 0.00 H new ATOM 0 HD12 ILE A 132 3.707 11.466 -9.025 1.00 0.00 H new ATOM 0 HD13 ILE A 132 4.832 12.720 -9.597 1.00 0.00 H new ATOM 1957 N LEU A 133 7.338 9.112 -5.852 1.00 0.00 N ATOM 1958 CA LEU A 133 7.808 9.106 -4.475 1.00 0.00 C ATOM 1959 C LEU A 133 9.052 8.234 -4.329 1.00 0.00 C ATOM 1960 O LEU A 133 9.975 8.568 -3.581 1.00 0.00 O ATOM 1961 CB LEU A 133 6.681 8.614 -3.567 1.00 0.00 C ATOM 1962 CG LEU A 133 6.996 8.533 -2.077 1.00 0.00 C ATOM 1963 CD1 LEU A 133 7.601 9.832 -1.575 1.00 0.00 C ATOM 1964 CD2 LEU A 133 5.726 8.219 -1.311 1.00 0.00 C ATOM 0 H LEU A 133 6.432 8.661 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 133 8.087 10.118 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.823 9.274 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.377 7.624 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 133 7.726 7.740 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 133 7.815 9.746 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 133 8.525 10.036 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 133 6.897 10.648 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.949 8.161 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 133 4.992 9.006 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 133 5.323 7.265 -1.650 1.00 0.00 H new ATOM 1976 N MET A 134 9.078 7.128 -5.056 1.00 0.00 N ATOM 1977 CA MET A 134 10.241 6.253 -5.075 1.00 0.00 C ATOM 1978 C MET A 134 11.448 6.983 -5.658 1.00 0.00 C ATOM 1979 O MET A 134 12.575 6.807 -5.198 1.00 0.00 O ATOM 1980 CB MET A 134 9.947 4.996 -5.895 1.00 0.00 C ATOM 1981 CG MET A 134 11.157 4.102 -6.096 1.00 0.00 C ATOM 1982 SD MET A 134 10.834 2.754 -7.244 1.00 0.00 S ATOM 1983 CE MET A 134 10.205 3.669 -8.651 1.00 0.00 C ATOM 0 H MET A 134 8.305 6.814 -5.642 1.00 0.00 H new ATOM 0 HA MET A 134 10.468 5.961 -4.050 1.00 0.00 H new ATOM 0 HB2 MET A 134 9.162 4.425 -5.399 1.00 0.00 H new ATOM 0 HB3 MET A 134 9.559 5.291 -6.870 1.00 0.00 H new ATOM 0 HG2 MET A 134 11.989 4.700 -6.468 1.00 0.00 H new ATOM 0 HG3 MET A 134 11.465 3.691 -5.135 1.00 0.00 H new ATOM 0 HE1 MET A 134 9.184 3.353 -8.864 1.00 0.00 H new ATOM 0 HE2 MET A 134 10.215 4.735 -8.426 1.00 0.00 H new ATOM 0 HE3 MET A 134 10.833 3.476 -9.521 1.00 0.00 H new ATOM 1993 N ALA A 135 11.195 7.816 -6.665 1.00 0.00 N ATOM 1994 CA ALA A 135 12.252 8.592 -7.304 1.00 0.00 C ATOM 1995 C ALA A 135 12.832 9.621 -6.340 1.00 0.00 C ATOM 1996 O ALA A 135 14.003 9.988 -6.441 1.00 0.00 O ATOM 1997 CB ALA A 135 11.728 9.273 -8.560 1.00 0.00 C ATOM 0 H ALA A 135 10.265 7.970 -7.056 1.00 0.00 H new ATOM 0 HA ALA A 135 13.051 7.907 -7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.530 9.848 -9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.370 8.519 -9.261 1.00 0.00 H new ATOM 0 HB3 ALA A 135 10.908 9.941 -8.296 1.00 0.00 H new ATOM 2003 N GLU A 136 12.008 10.084 -5.403 1.00 0.00 N ATOM 2004 CA GLU A 136 12.472 10.994 -4.361 1.00 0.00 C ATOM 2005 C GLU A 136 13.515 10.307 -3.486 1.00 0.00 C ATOM 2006 O GLU A 136 14.467 10.935 -3.024 1.00 0.00 O ATOM 2007 CB GLU A 136 11.309 11.472 -3.488 1.00 0.00 C ATOM 2008 CG GLU A 136 10.298 12.339 -4.218 1.00 0.00 C ATOM 2009 CD GLU A 136 9.202 12.839 -3.298 1.00 0.00 C ATOM 2010 OE1 GLU A 136 9.506 13.634 -2.380 1.00 0.00 O ATOM 2011 OE2 GLU A 136 8.037 12.438 -3.478 1.00 0.00 O ATOM 0 H GLU A 136 11.018 9.844 -5.345 1.00 0.00 H new ATOM 0 HA GLU A 136 12.919 11.860 -4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 136 10.796 10.602 -3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 136 11.710 12.033 -2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 136 10.809 13.190 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 136 9.853 11.768 -5.033 1.00 0.00 H new ATOM 2018 N GLY A 137 13.333 9.011 -3.275 1.00 0.00 N ATOM 2019 CA GLY A 137 14.265 8.254 -2.463 1.00 0.00 C ATOM 2020 C GLY A 137 13.772 8.062 -1.044 1.00 0.00 C ATOM 2021 O GLY A 137 14.547 7.732 -0.149 1.00 0.00 O ATOM 0 H GLY A 137 12.555 8.469 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 137 14.433 7.279 -2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 137 15.226 8.767 -2.444 1.00 0.00 H new ATOM 2025 N ARG A 138 12.481 8.273 -0.833 1.00 0.00 N ATOM 2026 CA ARG A 138 11.889 8.098 0.476 1.00 0.00 C ATOM 2027 C ARG A 138 11.226 6.730 0.582 1.00 0.00 C ATOM 2028 O ARG A 138 10.555 6.288 -0.350 1.00 0.00 O ATOM 2029 CB ARG A 138 10.884 9.212 0.746 1.00 0.00 C ATOM 2030 CG ARG A 138 11.540 10.558 1.017 1.00 0.00 C ATOM 2031 CD ARG A 138 10.533 11.597 1.481 1.00 0.00 C ATOM 2032 NE ARG A 138 9.660 12.062 0.403 1.00 0.00 N ATOM 2033 CZ ARG A 138 8.380 12.391 0.578 1.00 0.00 C ATOM 2034 NH1 ARG A 138 7.783 12.167 1.742 1.00 0.00 N ATOM 2035 NH2 ARG A 138 7.692 12.921 -0.425 1.00 0.00 N ATOM 0 H ARG A 138 11.825 8.567 -1.557 1.00 0.00 H new ATOM 0 HA ARG A 138 12.674 8.151 1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 138 10.217 9.306 -0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.267 8.937 1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 138 12.314 10.438 1.775 1.00 0.00 H new ATOM 0 HG3 ARG A 138 12.033 10.910 0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.923 11.174 2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 138 11.066 12.449 1.904 1.00 0.00 H new ATOM 0 HE ARG A 138 10.053 12.139 -0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 138 8.304 11.741 2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 138 6.803 12.421 1.870 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.143 13.076 -1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 138 6.713 13.174 -0.294 1.00 0.00 H new ATOM 2049 N ARG A 139 11.426 6.061 1.716 1.00 0.00 N ATOM 2050 CA ARG A 139 10.923 4.704 1.904 1.00 0.00 C ATOM 2051 C ARG A 139 9.397 4.673 1.905 1.00 0.00 C ATOM 2052 O ARG A 139 8.740 5.168 2.835 1.00 0.00 O ATOM 2053 CB ARG A 139 11.467 4.085 3.199 1.00 0.00 C ATOM 2054 CG ARG A 139 12.988 4.046 3.270 1.00 0.00 C ATOM 2055 CD ARG A 139 13.478 3.112 4.369 1.00 0.00 C ATOM 2056 NE ARG A 139 13.264 1.706 4.027 1.00 0.00 N ATOM 2057 CZ ARG A 139 13.536 0.676 4.830 1.00 0.00 C ATOM 2058 NH1 ARG A 139 14.022 0.871 6.050 1.00 0.00 N ATOM 2059 NH2 ARG A 139 13.318 -0.556 4.402 1.00 0.00 N ATOM 0 H ARG A 139 11.933 6.437 2.517 1.00 0.00 H new ATOM 0 HA ARG A 139 11.277 4.108 1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 139 11.087 4.652 4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 139 11.082 3.070 3.295 1.00 0.00 H new ATOM 0 HG2 ARG A 139 13.389 3.720 2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 139 13.370 5.051 3.450 1.00 0.00 H new ATOM 0 HD2 ARG A 139 14.540 3.285 4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 139 12.959 3.342 5.299 1.00 0.00 H new ATOM 0 HE ARG A 139 12.878 1.498 3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 139 14.193 1.819 6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 139 14.225 0.073 6.652 1.00 0.00 H new ATOM 0 HH21 ARG A 139 12.945 -0.712 3.466 1.00 0.00 H new ATOM 0 HH22 ARG A 139 13.523 -1.350 5.008 1.00 0.00 H new ATOM 2073 N VAL A 140 8.845 4.091 0.852 1.00 0.00 N ATOM 2074 CA VAL A 140 7.408 3.985 0.691 1.00 0.00 C ATOM 2075 C VAL A 140 7.007 2.553 0.356 1.00 0.00 C ATOM 2076 O VAL A 140 7.651 1.887 -0.456 1.00 0.00 O ATOM 2077 CB VAL A 140 6.892 4.941 -0.413 1.00 0.00 C ATOM 2078 CG1 VAL A 140 7.631 4.717 -1.727 1.00 0.00 C ATOM 2079 CG2 VAL A 140 5.389 4.780 -0.611 1.00 0.00 C ATOM 0 H VAL A 140 9.381 3.680 0.088 1.00 0.00 H new ATOM 0 HA VAL A 140 6.952 4.272 1.639 1.00 0.00 H new ATOM 0 HB VAL A 140 7.089 5.962 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.247 5.403 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.696 4.898 -1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 140 7.480 3.690 -2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.050 5.462 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.169 3.754 -0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 140 4.873 5.010 0.321 1.00 0.00 H new ATOM 2089 N VAL A 141 5.963 2.078 1.008 1.00 0.00 N ATOM 2090 CA VAL A 141 5.388 0.786 0.688 1.00 0.00 C ATOM 2091 C VAL A 141 4.035 1.004 0.028 1.00 0.00 C ATOM 2092 O VAL A 141 3.293 1.909 0.418 1.00 0.00 O ATOM 2093 CB VAL A 141 5.216 -0.096 1.945 1.00 0.00 C ATOM 2094 CG1 VAL A 141 4.686 -1.471 1.572 1.00 0.00 C ATOM 2095 CG2 VAL A 141 6.530 -0.217 2.701 1.00 0.00 C ATOM 0 H VAL A 141 5.493 2.571 1.767 1.00 0.00 H new ATOM 0 HA VAL A 141 6.067 0.265 0.013 1.00 0.00 H new ATOM 0 HB VAL A 141 4.487 0.384 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 141 4.573 -2.074 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 141 3.718 -1.367 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 141 5.386 -1.959 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.386 -0.842 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 141 7.282 -0.669 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 141 6.865 0.773 3.009 1.00 0.00 H new ATOM 2105 N VAL A 142 3.718 0.208 -0.977 1.00 0.00 N ATOM 2106 CA VAL A 142 2.470 0.381 -1.696 1.00 0.00 C ATOM 2107 C VAL A 142 1.627 -0.892 -1.650 1.00 0.00 C ATOM 2108 O VAL A 142 2.130 -1.999 -1.856 1.00 0.00 O ATOM 2109 CB VAL A 142 2.717 0.813 -3.164 1.00 0.00 C ATOM 2110 CG1 VAL A 142 3.413 -0.282 -3.958 1.00 0.00 C ATOM 2111 CG2 VAL A 142 1.416 1.227 -3.832 1.00 0.00 C ATOM 0 H VAL A 142 4.302 -0.558 -1.311 1.00 0.00 H new ATOM 0 HA VAL A 142 1.917 1.178 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 142 3.381 1.677 -3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.570 0.055 -4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.375 -0.509 -3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.793 -1.178 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.615 1.526 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.721 0.388 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.979 2.065 -3.289 1.00 0.00 H new ATOM 2121 N ALA A 143 0.352 -0.723 -1.341 1.00 0.00 N ATOM 2122 CA ALA A 143 -0.594 -1.827 -1.334 1.00 0.00 C ATOM 2123 C ALA A 143 -1.643 -1.598 -2.410 1.00 0.00 C ATOM 2124 O ALA A 143 -2.421 -0.655 -2.328 1.00 0.00 O ATOM 2125 CB ALA A 143 -1.251 -1.959 0.033 1.00 0.00 C ATOM 0 H ALA A 143 -0.055 0.178 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 143 -0.063 -2.756 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -1.956 -2.790 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -0.487 -2.144 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -1.782 -1.037 0.272 1.00 0.00 H new ATOM 2131 N LEU A 144 -1.655 -2.448 -3.419 1.00 0.00 N ATOM 2132 CA LEU A 144 -2.522 -2.247 -4.567 1.00 0.00 C ATOM 2133 C LEU A 144 -3.569 -3.347 -4.675 1.00 0.00 C ATOM 2134 O LEU A 144 -3.240 -4.537 -4.694 1.00 0.00 O ATOM 2135 CB LEU A 144 -1.687 -2.188 -5.848 1.00 0.00 C ATOM 2136 CG LEU A 144 -0.675 -1.040 -5.913 1.00 0.00 C ATOM 2137 CD1 LEU A 144 0.176 -1.149 -7.169 1.00 0.00 C ATOM 2138 CD2 LEU A 144 -1.389 0.304 -5.871 1.00 0.00 C ATOM 0 H LEU A 144 -1.074 -3.285 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.045 -1.301 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -1.151 -3.131 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -2.362 -2.105 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 144 -0.020 -1.111 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.889 -0.325 -7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.716 -2.096 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.466 -1.104 -8.049 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.654 1.108 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -2.068 0.382 -6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -1.957 0.385 -4.944 1.00 0.00 H new ATOM 2150 N LEU A 145 -4.830 -2.939 -4.729 1.00 0.00 N ATOM 2151 CA LEU A 145 -5.935 -3.863 -4.941 1.00 0.00 C ATOM 2152 C LEU A 145 -6.342 -3.870 -6.413 1.00 0.00 C ATOM 2153 O LEU A 145 -6.714 -2.831 -6.968 1.00 0.00 O ATOM 2154 CB LEU A 145 -7.135 -3.472 -4.072 1.00 0.00 C ATOM 2155 CG LEU A 145 -6.923 -3.603 -2.561 1.00 0.00 C ATOM 2156 CD1 LEU A 145 -8.104 -3.022 -1.801 1.00 0.00 C ATOM 2157 CD2 LEU A 145 -6.722 -5.059 -2.177 1.00 0.00 C ATOM 0 H LEU A 145 -5.114 -1.965 -4.628 1.00 0.00 H new ATOM 0 HA LEU A 145 -5.607 -4.863 -4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -7.403 -2.439 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -7.986 -4.091 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 145 -6.028 -3.042 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.933 -3.125 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -8.214 -1.967 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -9.013 -3.557 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -6.573 -5.134 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -7.602 -5.635 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -5.847 -5.454 -2.693 1.00 0.00 H new ATOM 2169 N PRO A 146 -6.248 -5.034 -7.069 1.00 0.00 N ATOM 2170 CA PRO A 146 -6.664 -5.204 -8.451 1.00 0.00 C ATOM 2171 C PRO A 146 -8.132 -5.616 -8.559 1.00 0.00 C ATOM 2172 O PRO A 146 -8.706 -6.131 -7.595 1.00 0.00 O ATOM 2173 CB PRO A 146 -5.745 -6.320 -8.957 1.00 0.00 C ATOM 2174 CG PRO A 146 -5.245 -7.041 -7.739 1.00 0.00 C ATOM 2175 CD PRO A 146 -5.718 -6.284 -6.520 1.00 0.00 C ATOM 0 HA PRO A 146 -6.586 -4.282 -9.027 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -6.285 -6.999 -9.616 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -4.916 -5.909 -9.533 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -5.620 -8.064 -7.721 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -4.157 -7.101 -7.752 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.483 -6.839 -5.977 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -4.902 -6.100 -5.822 1.00 0.00 H new