USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 856 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot 179:sc= -0.263 USER MOD Set 1.2: A 131 ASN : amide:sc=-0.000903 K(o=-0.71,f=-2.3) USER MOD Set 1.3: A 134 MET CE :methyl -110:sc= -0.448 (180deg=-2.68) USER MOD Set 2.1: A 31 HIS : no HE2:sc= -0.171 K(o=0.9,f=-3.4!) USER MOD Set 2.2: A 43 SER OG : rot -110:sc= 1.07 USER MOD Set 3.1: A 12 ASN : amide:sc= -1.14! K(o=-0.76!,f=-1.7) USER MOD Set 3.2: A 25 ASN : amide:sc= 0.375 K(o=-0.76,f=-1.7) USER MOD Single : A 15 THR OG1 : rot 131:sc= 1.25 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0181 K(o=-0.018,f=-0.97) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.445 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.689 K(o=-0.69,f=-2.6!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.978 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 101 HIS : no HD1:sc= -1.79 X(o=-1.8,f=-1.5) USER MOD Single : A 107 GLN : amide:sc= 0.123 K(o=0.12,f=-3.2!) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl -177:sc= -1.09 (180deg=-1.15) USER MOD Single : A 123 THR OG1 : rot -55:sc= 1.24 USER MOD Single : A 124 GLN : amide:sc= -0.0169 K(o=-0.017,f=-1) USER MOD Single : A 129 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 130 TYR OH : rot -154:sc= 0.819 USER MOD ----------------------------------------------------------------- ATOM 153 N LEU A 11 15.412 -3.360 -8.999 1.00 0.00 N ATOM 154 CA LEU A 11 14.517 -2.314 -8.536 1.00 0.00 C ATOM 155 C LEU A 11 13.075 -2.776 -8.682 1.00 0.00 C ATOM 156 O LEU A 11 12.610 -3.050 -9.788 1.00 0.00 O ATOM 157 CB LEU A 11 14.738 -1.019 -9.322 1.00 0.00 C ATOM 158 CG LEU A 11 13.898 0.173 -8.855 1.00 0.00 C ATOM 159 CD1 LEU A 11 14.223 0.526 -7.411 1.00 0.00 C ATOM 160 CD2 LEU A 11 14.125 1.372 -9.762 1.00 0.00 C ATOM 0 HA LEU A 11 14.729 -2.113 -7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.792 -0.749 -9.258 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.520 -1.208 -10.373 1.00 0.00 H new ATOM 0 HG LEU A 11 12.846 -0.106 -8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.616 1.375 -7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.008 -0.329 -6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.279 0.785 -7.328 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.520 2.210 -9.415 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.178 1.651 -9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.839 1.116 -10.782 1.00 0.00 H new ATOM 172 N ASN A 12 12.384 -2.888 -7.561 1.00 0.00 N ATOM 173 CA ASN A 12 10.999 -3.334 -7.560 1.00 0.00 C ATOM 174 C ASN A 12 10.083 -2.220 -8.056 1.00 0.00 C ATOM 175 O ASN A 12 9.900 -1.206 -7.379 1.00 0.00 O ATOM 176 CB ASN A 12 10.595 -3.772 -6.152 1.00 0.00 C ATOM 177 CG ASN A 12 9.200 -4.362 -6.103 1.00 0.00 C ATOM 178 OD1 ASN A 12 8.732 -4.965 -7.065 1.00 0.00 O ATOM 179 ND2 ASN A 12 8.533 -4.197 -4.975 1.00 0.00 N ATOM 0 H ASN A 12 12.759 -2.676 -6.637 1.00 0.00 H new ATOM 0 HA ASN A 12 10.900 -4.185 -8.234 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.310 -4.509 -5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.647 -2.915 -5.480 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.591 -4.577 -4.879 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.959 -3.689 -4.200 1.00 0.00 H new ATOM 186 N THR A 13 9.530 -2.399 -9.246 1.00 0.00 N ATOM 187 CA THR A 13 8.704 -1.374 -9.866 1.00 0.00 C ATOM 188 C THR A 13 7.595 -2.003 -10.711 1.00 0.00 C ATOM 189 O THR A 13 7.780 -3.072 -11.297 1.00 0.00 O ATOM 190 CB THR A 13 9.565 -0.453 -10.761 1.00 0.00 C ATOM 191 OG1 THR A 13 10.697 0.023 -10.025 1.00 0.00 O ATOM 192 CG2 THR A 13 8.761 0.736 -11.272 1.00 0.00 C ATOM 0 H THR A 13 9.639 -3.247 -9.803 1.00 0.00 H new ATOM 0 HA THR A 13 8.252 -0.785 -9.068 1.00 0.00 H new ATOM 0 HB THR A 13 9.898 -1.038 -11.618 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.247 0.592 -10.603 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.396 1.363 -11.898 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.915 0.378 -11.858 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.396 1.319 -10.426 1.00 0.00 H new ATOM 200 N VAL A 14 6.439 -1.345 -10.749 1.00 0.00 N ATOM 201 CA VAL A 14 5.341 -1.768 -11.607 1.00 0.00 C ATOM 202 C VAL A 14 5.686 -1.469 -13.060 1.00 0.00 C ATOM 203 O VAL A 14 5.899 -0.315 -13.428 1.00 0.00 O ATOM 204 CB VAL A 14 4.023 -1.047 -11.242 1.00 0.00 C ATOM 205 CG1 VAL A 14 2.872 -1.554 -12.099 1.00 0.00 C ATOM 206 CG2 VAL A 14 3.710 -1.214 -9.763 1.00 0.00 C ATOM 0 H VAL A 14 6.240 -0.514 -10.192 1.00 0.00 H new ATOM 0 HA VAL A 14 5.197 -2.839 -11.462 1.00 0.00 H new ATOM 0 HB VAL A 14 4.151 0.016 -11.445 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.956 -1.032 -11.824 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.093 -1.370 -13.150 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.742 -2.624 -11.938 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.779 -0.699 -9.528 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.607 -2.274 -9.530 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.519 -0.789 -9.170 1.00 0.00 H new ATOM 216 N THR A 15 5.750 -2.505 -13.879 1.00 0.00 N ATOM 217 CA THR A 15 6.175 -2.343 -15.258 1.00 0.00 C ATOM 218 C THR A 15 4.985 -2.081 -16.179 1.00 0.00 C ATOM 219 O THR A 15 5.121 -1.416 -17.208 1.00 0.00 O ATOM 220 CB THR A 15 6.934 -3.585 -15.752 1.00 0.00 C ATOM 221 OG1 THR A 15 7.383 -4.367 -14.631 1.00 0.00 O ATOM 222 CG2 THR A 15 8.128 -3.177 -16.603 1.00 0.00 C ATOM 0 H THR A 15 5.515 -3.462 -13.615 1.00 0.00 H new ATOM 0 HA THR A 15 6.841 -1.481 -15.287 1.00 0.00 H new ATOM 0 HB THR A 15 6.256 -4.184 -16.361 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.131 -5.305 -14.764 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.654 -4.069 -16.944 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.782 -2.607 -17.466 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.805 -2.562 -16.010 1.00 0.00 H new ATOM 230 N ALA A 16 3.821 -2.604 -15.808 1.00 0.00 N ATOM 231 CA ALA A 16 2.618 -2.423 -16.609 1.00 0.00 C ATOM 232 C ALA A 16 1.372 -2.359 -15.732 1.00 0.00 C ATOM 233 O ALA A 16 1.058 -3.301 -15.004 1.00 0.00 O ATOM 234 CB ALA A 16 2.489 -3.545 -17.632 1.00 0.00 C ATOM 0 H ALA A 16 3.686 -3.155 -14.960 1.00 0.00 H new ATOM 0 HA ALA A 16 2.706 -1.473 -17.136 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.585 -3.396 -18.223 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.358 -3.539 -18.290 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.431 -4.503 -17.116 1.00 0.00 H new ATOM 240 N TYR A 17 0.674 -1.236 -15.800 1.00 0.00 N ATOM 241 CA TYR A 17 -0.571 -1.053 -15.067 1.00 0.00 C ATOM 242 C TYR A 17 -1.728 -0.950 -16.052 1.00 0.00 C ATOM 243 O TYR A 17 -1.776 -0.026 -16.867 1.00 0.00 O ATOM 244 CB TYR A 17 -0.487 0.209 -14.198 1.00 0.00 C ATOM 245 CG TYR A 17 -1.774 0.564 -13.485 1.00 0.00 C ATOM 246 CD1 TYR A 17 -2.173 -0.121 -12.345 1.00 0.00 C ATOM 247 CD2 TYR A 17 -2.584 1.593 -13.949 1.00 0.00 C ATOM 248 CE1 TYR A 17 -3.344 0.209 -11.689 1.00 0.00 C ATOM 249 CE2 TYR A 17 -3.754 1.928 -13.301 1.00 0.00 C ATOM 250 CZ TYR A 17 -4.131 1.234 -12.172 1.00 0.00 C ATOM 251 OH TYR A 17 -5.298 1.568 -11.522 1.00 0.00 O ATOM 0 H TYR A 17 0.951 -0.430 -16.361 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.739 -1.909 -14.413 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.300 0.073 -13.456 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.190 1.049 -14.826 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.559 -0.924 -11.965 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.292 2.140 -14.833 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.641 -0.333 -10.803 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.372 2.730 -13.676 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.732 2.311 -11.991 1.00 0.00 H new ATOM 261 N GLY A 18 -2.649 -1.902 -15.993 1.00 0.00 N ATOM 262 CA GLY A 18 -3.743 -1.917 -16.938 1.00 0.00 C ATOM 263 C GLY A 18 -5.059 -2.312 -16.306 1.00 0.00 C ATOM 264 O GLY A 18 -5.200 -2.308 -15.083 1.00 0.00 O ATOM 0 H GLY A 18 -2.657 -2.660 -15.310 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.843 -0.929 -17.387 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.510 -2.611 -17.745 1.00 0.00 H new ATOM 268 N ASP A 19 -6.020 -2.663 -17.144 1.00 0.00 N ATOM 269 CA ASP A 19 -7.350 -3.036 -16.681 1.00 0.00 C ATOM 270 C ASP A 19 -7.402 -4.512 -16.313 1.00 0.00 C ATOM 271 O ASP A 19 -7.328 -5.381 -17.183 1.00 0.00 O ATOM 272 CB ASP A 19 -8.393 -2.731 -17.762 1.00 0.00 C ATOM 273 CG ASP A 19 -9.778 -3.233 -17.399 1.00 0.00 C ATOM 274 OD1 ASP A 19 -10.457 -2.581 -16.580 1.00 0.00 O ATOM 275 OD2 ASP A 19 -10.195 -4.281 -17.938 1.00 0.00 O ATOM 0 H ASP A 19 -5.904 -2.698 -18.157 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.576 -2.449 -15.791 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.433 -1.655 -17.928 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.081 -3.187 -18.701 1.00 0.00 H new ATOM 280 N GLY A 20 -7.500 -4.789 -15.019 1.00 0.00 N ATOM 281 CA GLY A 20 -7.657 -6.156 -14.560 1.00 0.00 C ATOM 282 C GLY A 20 -6.339 -6.849 -14.265 1.00 0.00 C ATOM 283 O GLY A 20 -6.325 -8.020 -13.887 1.00 0.00 O ATOM 0 H GLY A 20 -7.473 -4.089 -14.277 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.271 -6.161 -13.659 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.197 -6.726 -15.316 1.00 0.00 H new ATOM 287 N TYR A 21 -5.230 -6.138 -14.436 1.00 0.00 N ATOM 288 CA TYR A 21 -3.918 -6.727 -14.196 1.00 0.00 C ATOM 289 C TYR A 21 -2.891 -5.669 -13.814 1.00 0.00 C ATOM 290 O TYR A 21 -2.908 -4.548 -14.331 1.00 0.00 O ATOM 291 CB TYR A 21 -3.434 -7.506 -15.433 1.00 0.00 C ATOM 292 CG TYR A 21 -3.295 -6.666 -16.687 1.00 0.00 C ATOM 293 CD1 TYR A 21 -2.099 -6.022 -16.990 1.00 0.00 C ATOM 294 CD2 TYR A 21 -4.358 -6.516 -17.568 1.00 0.00 C ATOM 295 CE1 TYR A 21 -1.970 -5.253 -18.131 1.00 0.00 C ATOM 296 CE2 TYR A 21 -4.236 -5.751 -18.712 1.00 0.00 C ATOM 297 CZ TYR A 21 -3.043 -5.120 -18.987 1.00 0.00 C ATOM 298 OH TYR A 21 -2.922 -4.351 -20.124 1.00 0.00 O ATOM 0 H TYR A 21 -5.212 -5.163 -14.737 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.021 -7.418 -13.360 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.470 -7.961 -15.206 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.132 -8.320 -15.631 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.257 -6.125 -16.322 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.297 -7.006 -17.355 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.035 -4.759 -18.351 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.072 -5.648 -19.388 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.768 -4.362 -20.618 1.00 0.00 H new ATOM 308 N ILE A 22 -2.015 -6.030 -12.890 1.00 0.00 N ATOM 309 CA ILE A 22 -0.881 -5.195 -12.528 1.00 0.00 C ATOM 310 C ILE A 22 0.402 -6.011 -12.645 1.00 0.00 C ATOM 311 O ILE A 22 0.614 -6.956 -11.885 1.00 0.00 O ATOM 312 CB ILE A 22 -1.008 -4.637 -11.091 1.00 0.00 C ATOM 313 CG1 ILE A 22 -2.303 -3.831 -10.940 1.00 0.00 C ATOM 314 CG2 ILE A 22 0.200 -3.774 -10.745 1.00 0.00 C ATOM 315 CD1 ILE A 22 -2.526 -3.288 -9.544 1.00 0.00 C ATOM 0 H ILE A 22 -2.069 -6.907 -12.372 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.858 -4.347 -13.212 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.042 -5.477 -10.397 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.287 -3.000 -11.645 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.148 -4.464 -11.213 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.094 -3.390 -9.731 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.107 -4.374 -10.813 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.264 -2.940 -11.444 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.462 -2.730 -9.516 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.576 -4.115 -8.836 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.701 -2.628 -9.274 1.00 0.00 H new ATOM 327 N GLU A 23 1.241 -5.665 -13.608 1.00 0.00 N ATOM 328 CA GLU A 23 2.461 -6.418 -13.853 1.00 0.00 C ATOM 329 C GLU A 23 3.628 -5.798 -13.100 1.00 0.00 C ATOM 330 O GLU A 23 3.990 -4.639 -13.329 1.00 0.00 O ATOM 331 CB GLU A 23 2.751 -6.485 -15.360 1.00 0.00 C ATOM 332 CG GLU A 23 3.920 -7.387 -15.740 1.00 0.00 C ATOM 333 CD GLU A 23 5.249 -6.654 -15.818 1.00 0.00 C ATOM 334 OE1 GLU A 23 5.939 -6.533 -14.785 1.00 0.00 O ATOM 335 OE2 GLU A 23 5.617 -6.206 -16.921 1.00 0.00 O ATOM 0 H GLU A 23 1.101 -4.870 -14.231 1.00 0.00 H new ATOM 0 HA GLU A 23 2.326 -7.436 -13.487 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.856 -6.836 -15.874 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.953 -5.477 -15.723 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.000 -8.192 -15.010 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.713 -7.851 -16.704 1.00 0.00 H new ATOM 342 N VAL A 24 4.198 -6.571 -12.189 1.00 0.00 N ATOM 343 CA VAL A 24 5.356 -6.140 -11.429 1.00 0.00 C ATOM 344 C VAL A 24 6.485 -7.149 -11.595 1.00 0.00 C ATOM 345 O VAL A 24 6.366 -8.295 -11.161 1.00 0.00 O ATOM 346 CB VAL A 24 5.025 -5.979 -9.928 1.00 0.00 C ATOM 347 CG1 VAL A 24 6.234 -5.474 -9.155 1.00 0.00 C ATOM 348 CG2 VAL A 24 3.838 -5.047 -9.731 1.00 0.00 C ATOM 0 H VAL A 24 3.872 -7.509 -11.958 1.00 0.00 H new ATOM 0 HA VAL A 24 5.664 -5.168 -11.814 1.00 0.00 H new ATOM 0 HB VAL A 24 4.757 -6.961 -9.538 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.975 -5.369 -8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.054 -6.184 -9.258 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.541 -4.506 -9.551 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.624 -4.950 -8.667 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.073 -4.066 -10.145 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.965 -5.456 -10.240 1.00 0.00 H new ATOM 358 N ASN A 25 7.561 -6.723 -12.256 1.00 0.00 N ATOM 359 CA ASN A 25 8.750 -7.558 -12.459 1.00 0.00 C ATOM 360 C ASN A 25 8.416 -8.801 -13.282 1.00 0.00 C ATOM 361 O ASN A 25 8.912 -9.893 -13.003 1.00 0.00 O ATOM 362 CB ASN A 25 9.363 -7.963 -11.110 1.00 0.00 C ATOM 363 CG ASN A 25 9.715 -6.767 -10.244 1.00 0.00 C ATOM 364 OD1 ASN A 25 10.054 -5.692 -10.745 1.00 0.00 O ATOM 365 ND2 ASN A 25 9.628 -6.944 -8.937 1.00 0.00 N ATOM 0 H ASN A 25 7.635 -5.792 -12.666 1.00 0.00 H new ATOM 0 HA ASN A 25 9.481 -6.969 -13.013 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.661 -8.601 -10.573 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.261 -8.555 -11.287 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.845 -6.175 -8.303 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.344 -7.849 -8.563 1.00 0.00 H new ATOM 372 N GLN A 26 7.562 -8.613 -14.291 1.00 0.00 N ATOM 373 CA GLN A 26 7.152 -9.679 -15.210 1.00 0.00 C ATOM 374 C GLN A 26 6.216 -10.677 -14.537 1.00 0.00 C ATOM 375 O GLN A 26 5.890 -11.723 -15.103 1.00 0.00 O ATOM 376 CB GLN A 26 8.361 -10.392 -15.831 1.00 0.00 C ATOM 377 CG GLN A 26 9.045 -9.571 -16.911 1.00 0.00 C ATOM 378 CD GLN A 26 10.186 -10.302 -17.590 1.00 0.00 C ATOM 379 OE1 GLN A 26 10.881 -11.116 -16.978 1.00 0.00 O ATOM 380 NE2 GLN A 26 10.378 -10.028 -18.871 1.00 0.00 N ATOM 0 H GLN A 26 7.132 -7.711 -14.495 1.00 0.00 H new ATOM 0 HA GLN A 26 6.599 -9.201 -16.019 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.082 -10.623 -15.047 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.037 -11.342 -16.255 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.308 -9.286 -17.662 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.425 -8.649 -16.471 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.781 -9.348 -19.342 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.123 -10.497 -19.387 1.00 0.00 H new ATOM 389 N VAL A 27 5.767 -10.344 -13.339 1.00 0.00 N ATOM 390 CA VAL A 27 4.754 -11.131 -12.663 1.00 0.00 C ATOM 391 C VAL A 27 3.438 -10.366 -12.669 1.00 0.00 C ATOM 392 O VAL A 27 3.292 -9.359 -11.972 1.00 0.00 O ATOM 393 CB VAL A 27 5.150 -11.466 -11.210 1.00 0.00 C ATOM 394 CG1 VAL A 27 4.143 -12.423 -10.589 1.00 0.00 C ATOM 395 CG2 VAL A 27 6.554 -12.052 -11.153 1.00 0.00 C ATOM 0 H VAL A 27 6.090 -9.531 -12.814 1.00 0.00 H new ATOM 0 HA VAL A 27 4.651 -12.074 -13.200 1.00 0.00 H new ATOM 0 HB VAL A 27 5.146 -10.541 -10.634 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.439 -12.648 -9.564 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.155 -11.962 -10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.113 -13.346 -11.169 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.811 -12.280 -10.119 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.591 -12.966 -11.746 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.266 -11.330 -11.553 1.00 0.00 H new ATOM 405 N ARG A 28 2.496 -10.816 -13.483 1.00 0.00 N ATOM 406 CA ARG A 28 1.216 -10.140 -13.595 1.00 0.00 C ATOM 407 C ARG A 28 0.293 -10.555 -12.451 1.00 0.00 C ATOM 408 O ARG A 28 -0.082 -11.720 -12.322 1.00 0.00 O ATOM 409 CB ARG A 28 0.578 -10.407 -14.969 1.00 0.00 C ATOM 410 CG ARG A 28 0.180 -11.856 -15.223 1.00 0.00 C ATOM 411 CD ARG A 28 -0.132 -12.094 -16.694 1.00 0.00 C ATOM 412 NE ARG A 28 -0.881 -13.333 -16.917 1.00 0.00 N ATOM 413 CZ ARG A 28 -0.330 -14.538 -17.074 1.00 0.00 C ATOM 414 NH1 ARG A 28 0.988 -14.692 -17.013 1.00 0.00 N ATOM 415 NH2 ARG A 28 -1.111 -15.586 -17.310 1.00 0.00 N ATOM 0 H ARG A 28 2.594 -11.643 -14.073 1.00 0.00 H new ATOM 0 HA ARG A 28 1.378 -9.065 -13.516 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.308 -9.780 -15.070 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.278 -10.097 -15.745 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.987 -12.518 -14.909 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.692 -12.107 -14.619 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.706 -11.252 -17.081 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.800 -12.130 -17.258 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.898 -13.270 -16.955 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.589 -13.885 -16.845 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.399 -15.617 -17.134 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.122 -15.465 -17.370 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.700 -16.511 -17.432 1.00 0.00 H new ATOM 429 N PHE A 29 -0.036 -9.598 -11.599 1.00 0.00 N ATOM 430 CA PHE A 29 -0.883 -9.857 -10.450 1.00 0.00 C ATOM 431 C PHE A 29 -2.329 -9.481 -10.745 1.00 0.00 C ATOM 432 O PHE A 29 -2.614 -8.375 -11.203 1.00 0.00 O ATOM 433 CB PHE A 29 -0.390 -9.080 -9.227 1.00 0.00 C ATOM 434 CG PHE A 29 0.971 -9.493 -8.739 1.00 0.00 C ATOM 435 CD1 PHE A 29 1.137 -10.666 -8.020 1.00 0.00 C ATOM 436 CD2 PHE A 29 2.083 -8.702 -8.986 1.00 0.00 C ATOM 437 CE1 PHE A 29 2.384 -11.043 -7.558 1.00 0.00 C ATOM 438 CE2 PHE A 29 3.331 -9.073 -8.524 1.00 0.00 C ATOM 439 CZ PHE A 29 3.482 -10.245 -7.810 1.00 0.00 C ATOM 0 H PHE A 29 0.274 -8.630 -11.684 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.833 -10.925 -10.236 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.369 -8.018 -9.470 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.108 -9.207 -8.417 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.281 -11.293 -7.818 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.972 -7.785 -9.546 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.499 -11.961 -7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.188 -8.446 -8.721 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.457 -10.537 -7.449 1.00 0.00 H new ATOM 449 N SER A 30 -3.230 -10.415 -10.496 1.00 0.00 N ATOM 450 CA SER A 30 -4.656 -10.163 -10.615 1.00 0.00 C ATOM 451 C SER A 30 -5.271 -10.019 -9.226 1.00 0.00 C ATOM 452 O SER A 30 -6.490 -10.055 -9.056 1.00 0.00 O ATOM 453 CB SER A 30 -5.315 -11.313 -11.378 1.00 0.00 C ATOM 454 OG SER A 30 -4.906 -12.565 -10.851 1.00 0.00 O ATOM 0 H SER A 30 -2.996 -11.365 -10.207 1.00 0.00 H new ATOM 0 HA SER A 30 -4.820 -9.236 -11.165 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.399 -11.223 -11.315 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.051 -11.254 -12.434 1.00 0.00 H new ATOM 0 HG SER A 30 -5.339 -13.288 -11.351 1.00 0.00 H new ATOM 460 N HIS A 31 -4.408 -9.847 -8.232 1.00 0.00 N ATOM 461 CA HIS A 31 -4.838 -9.760 -6.845 1.00 0.00 C ATOM 462 C HIS A 31 -4.080 -8.653 -6.123 1.00 0.00 C ATOM 463 O HIS A 31 -3.126 -8.096 -6.667 1.00 0.00 O ATOM 464 CB HIS A 31 -4.639 -11.106 -6.124 1.00 0.00 C ATOM 465 CG HIS A 31 -3.226 -11.623 -6.134 1.00 0.00 C ATOM 466 ND1 HIS A 31 -2.817 -12.677 -6.923 1.00 0.00 N ATOM 467 CD2 HIS A 31 -2.132 -11.241 -5.431 1.00 0.00 C ATOM 468 CE1 HIS A 31 -1.538 -12.920 -6.703 1.00 0.00 C ATOM 469 NE2 HIS A 31 -1.096 -12.063 -5.802 1.00 0.00 N ATOM 0 H HIS A 31 -3.400 -9.765 -8.364 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.901 -9.521 -6.832 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.965 -11.000 -5.089 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -5.287 -11.850 -6.588 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -3.410 -13.190 -7.575 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.084 -10.437 -4.711 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.952 -13.691 -7.180 1.00 0.00 H new ATOM 478 N ALA A 32 -4.507 -8.352 -4.902 1.00 0.00 N ATOM 479 CA ALA A 32 -3.896 -7.298 -4.102 1.00 0.00 C ATOM 480 C ALA A 32 -2.436 -7.599 -3.796 1.00 0.00 C ATOM 481 O ALA A 32 -2.068 -8.748 -3.538 1.00 0.00 O ATOM 482 CB ALA A 32 -4.665 -7.110 -2.810 1.00 0.00 C ATOM 0 H ALA A 32 -5.282 -8.829 -4.441 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.934 -6.378 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.199 -6.320 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.695 -6.834 -3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.655 -8.040 -2.242 1.00 0.00 H new ATOM 488 N ILE A 33 -1.614 -6.561 -3.819 1.00 0.00 N ATOM 489 CA ILE A 33 -0.183 -6.703 -3.572 1.00 0.00 C ATOM 490 C ILE A 33 0.357 -5.530 -2.769 1.00 0.00 C ATOM 491 O ILE A 33 0.012 -4.375 -3.023 1.00 0.00 O ATOM 492 CB ILE A 33 0.618 -6.824 -4.889 1.00 0.00 C ATOM 493 CG1 ILE A 33 0.135 -5.785 -5.908 1.00 0.00 C ATOM 494 CG2 ILE A 33 0.505 -8.234 -5.451 1.00 0.00 C ATOM 495 CD1 ILE A 33 0.901 -5.803 -7.212 1.00 0.00 C ATOM 0 H ILE A 33 -1.914 -5.604 -4.007 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.058 -7.622 -2.999 1.00 0.00 H new ATOM 0 HB ILE A 33 1.669 -6.626 -4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.921 -5.958 -6.116 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.214 -4.792 -5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.074 -8.303 -6.378 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.901 -8.947 -4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.542 -8.464 -5.650 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.500 -5.040 -7.880 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.954 -5.599 -7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.801 -6.783 -7.679 1.00 0.00 H new ATOM 507 N ALA A 34 1.188 -5.842 -1.791 1.00 0.00 N ATOM 508 CA ALA A 34 1.867 -4.834 -0.997 1.00 0.00 C ATOM 509 C ALA A 34 3.369 -5.009 -1.141 1.00 0.00 C ATOM 510 O ALA A 34 3.907 -6.075 -0.837 1.00 0.00 O ATOM 511 CB ALA A 34 1.450 -4.939 0.461 1.00 0.00 C ATOM 0 H ALA A 34 1.411 -6.801 -1.525 1.00 0.00 H new ATOM 0 HA ALA A 34 1.589 -3.843 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.968 -4.177 1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.373 -4.790 0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.710 -5.926 0.843 1.00 0.00 H new ATOM 517 N PHE A 35 4.045 -3.980 -1.621 1.00 0.00 N ATOM 518 CA PHE A 35 5.463 -4.092 -1.918 1.00 0.00 C ATOM 519 C PHE A 35 6.186 -2.762 -1.741 1.00 0.00 C ATOM 520 O PHE A 35 5.563 -1.697 -1.697 1.00 0.00 O ATOM 521 CB PHE A 35 5.666 -4.622 -3.343 1.00 0.00 C ATOM 522 CG PHE A 35 4.968 -3.818 -4.410 1.00 0.00 C ATOM 523 CD1 PHE A 35 3.647 -4.076 -4.739 1.00 0.00 C ATOM 524 CD2 PHE A 35 5.636 -2.808 -5.086 1.00 0.00 C ATOM 525 CE1 PHE A 35 3.006 -3.342 -5.718 1.00 0.00 C ATOM 526 CE2 PHE A 35 4.999 -2.072 -6.065 1.00 0.00 C ATOM 527 CZ PHE A 35 3.683 -2.340 -6.381 1.00 0.00 C ATOM 0 H PHE A 35 3.639 -3.064 -1.812 1.00 0.00 H new ATOM 0 HA PHE A 35 5.894 -4.797 -1.208 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.734 -4.644 -3.561 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.310 -5.651 -3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.112 -4.860 -4.224 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.667 -2.595 -4.844 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.976 -3.553 -5.964 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.530 -1.287 -6.583 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.183 -1.766 -7.147 1.00 0.00 H new ATOM 537 N ALA A 36 7.506 -2.844 -1.641 1.00 0.00 N ATOM 538 CA ALA A 36 8.352 -1.673 -1.485 1.00 0.00 C ATOM 539 C ALA A 36 9.497 -1.726 -2.493 1.00 0.00 C ATOM 540 O ALA A 36 9.825 -2.803 -2.991 1.00 0.00 O ATOM 541 CB ALA A 36 8.895 -1.614 -0.065 1.00 0.00 C ATOM 0 H ALA A 36 8.019 -3.725 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 36 7.764 -0.774 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.529 -0.734 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.065 -1.555 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.481 -2.511 0.138 1.00 0.00 H new ATOM 547 N PRO A 37 10.117 -0.574 -2.812 1.00 0.00 N ATOM 548 CA PRO A 37 11.250 -0.517 -3.745 1.00 0.00 C ATOM 549 C PRO A 37 12.425 -1.354 -3.256 1.00 0.00 C ATOM 550 O PRO A 37 13.181 -1.918 -4.049 1.00 0.00 O ATOM 551 CB PRO A 37 11.629 0.968 -3.779 1.00 0.00 C ATOM 552 CG PRO A 37 11.000 1.564 -2.566 1.00 0.00 C ATOM 553 CD PRO A 37 9.760 0.761 -2.308 1.00 0.00 C ATOM 0 HA PRO A 37 10.990 -0.916 -4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.711 1.098 -3.765 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.263 1.446 -4.687 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.678 1.520 -1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.758 2.614 -2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.508 0.738 -1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.897 1.172 -2.832 1.00 0.00 H new ATOM 561 N GLU A 38 12.567 -1.420 -1.942 1.00 0.00 N ATOM 562 CA GLU A 38 13.581 -2.240 -1.311 1.00 0.00 C ATOM 563 C GLU A 38 12.935 -3.083 -0.221 1.00 0.00 C ATOM 564 O GLU A 38 12.600 -2.577 0.852 1.00 0.00 O ATOM 565 CB GLU A 38 14.692 -1.361 -0.726 1.00 0.00 C ATOM 566 CG GLU A 38 15.799 -2.147 -0.039 1.00 0.00 C ATOM 567 CD GLU A 38 16.495 -3.118 -0.969 1.00 0.00 C ATOM 568 OE1 GLU A 38 15.993 -4.246 -1.146 1.00 0.00 O ATOM 569 OE2 GLU A 38 17.557 -2.761 -1.520 1.00 0.00 O ATOM 0 H GLU A 38 11.981 -0.905 -1.285 1.00 0.00 H new ATOM 0 HA GLU A 38 14.030 -2.898 -2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.127 -0.762 -1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.254 -0.666 -0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.533 -1.452 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.379 -2.696 0.804 1.00 0.00 H new ATOM 576 N GLY A 39 12.732 -4.356 -0.512 1.00 0.00 N ATOM 577 CA GLY A 39 12.090 -5.238 0.436 1.00 0.00 C ATOM 578 C GLY A 39 11.349 -6.364 -0.252 1.00 0.00 C ATOM 579 O GLY A 39 11.672 -6.715 -1.385 1.00 0.00 O ATOM 0 H GLY A 39 13.002 -4.796 -1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.839 -5.655 1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.393 -4.666 1.049 1.00 0.00 H new ATOM 583 N PRO A 40 10.343 -6.947 0.411 1.00 0.00 N ATOM 584 CA PRO A 40 9.589 -8.068 -0.127 1.00 0.00 C ATOM 585 C PRO A 40 8.387 -7.634 -0.969 1.00 0.00 C ATOM 586 O PRO A 40 7.940 -6.487 -0.897 1.00 0.00 O ATOM 587 CB PRO A 40 9.122 -8.779 1.142 1.00 0.00 C ATOM 588 CG PRO A 40 8.932 -7.686 2.144 1.00 0.00 C ATOM 589 CD PRO A 40 9.861 -6.560 1.750 1.00 0.00 C ATOM 0 HA PRO A 40 10.185 -8.681 -0.804 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.194 -9.325 0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.860 -9.505 1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.896 -7.346 2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.160 -8.040 3.149 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.340 -5.603 1.725 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.685 -6.457 2.456 1.00 0.00 H new ATOM 597 N VAL A 41 7.883 -8.557 -1.775 1.00 0.00 N ATOM 598 CA VAL A 41 6.665 -8.333 -2.540 1.00 0.00 C ATOM 599 C VAL A 41 5.592 -9.280 -2.032 1.00 0.00 C ATOM 600 O VAL A 41 5.592 -10.470 -2.358 1.00 0.00 O ATOM 601 CB VAL A 41 6.873 -8.552 -4.056 1.00 0.00 C ATOM 602 CG1 VAL A 41 5.614 -8.185 -4.830 1.00 0.00 C ATOM 603 CG2 VAL A 41 8.064 -7.751 -4.562 1.00 0.00 C ATOM 0 H VAL A 41 8.303 -9.476 -1.917 1.00 0.00 H new ATOM 0 HA VAL A 41 6.366 -7.294 -2.404 1.00 0.00 H new ATOM 0 HB VAL A 41 7.081 -9.610 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.782 -8.346 -5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.786 -8.809 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.372 -7.137 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.190 -7.922 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.892 -6.690 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.965 -8.067 -4.036 1.00 0.00 H new ATOM 613 N ALA A 42 4.687 -8.761 -1.224 1.00 0.00 N ATOM 614 CA ALA A 42 3.735 -9.601 -0.526 1.00 0.00 C ATOM 615 C ALA A 42 2.362 -9.540 -1.165 1.00 0.00 C ATOM 616 O ALA A 42 1.755 -8.475 -1.259 1.00 0.00 O ATOM 617 CB ALA A 42 3.655 -9.196 0.938 1.00 0.00 C ATOM 0 H ALA A 42 4.592 -7.763 -1.036 1.00 0.00 H new ATOM 0 HA ALA A 42 4.085 -10.631 -0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.937 -9.834 1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.636 -9.307 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.335 -8.157 1.011 1.00 0.00 H new ATOM 623 N SER A 43 1.889 -10.682 -1.631 1.00 0.00 N ATOM 624 CA SER A 43 0.523 -10.796 -2.083 1.00 0.00 C ATOM 625 C SER A 43 -0.410 -10.634 -0.889 1.00 0.00 C ATOM 626 O SER A 43 -0.207 -11.260 0.158 1.00 0.00 O ATOM 627 CB SER A 43 0.299 -12.137 -2.777 1.00 0.00 C ATOM 628 OG SER A 43 1.130 -12.259 -3.926 1.00 0.00 O ATOM 0 H SER A 43 2.434 -11.541 -1.704 1.00 0.00 H new ATOM 0 HA SER A 43 0.311 -10.012 -2.809 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.510 -12.950 -2.083 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.747 -12.230 -3.068 1.00 0.00 H new ATOM 0 HG SER A 43 0.578 -12.221 -4.735 1.00 0.00 H new ATOM 634 N TRP A 44 -1.425 -9.813 -1.046 1.00 0.00 N ATOM 635 CA TRP A 44 -2.273 -9.429 0.064 1.00 0.00 C ATOM 636 C TRP A 44 -3.534 -10.287 0.065 1.00 0.00 C ATOM 637 O TRP A 44 -4.187 -10.436 -0.968 1.00 0.00 O ATOM 638 CB TRP A 44 -2.617 -7.942 -0.066 1.00 0.00 C ATOM 639 CG TRP A 44 -2.770 -7.217 1.239 1.00 0.00 C ATOM 640 CD1 TRP A 44 -2.150 -7.504 2.423 1.00 0.00 C ATOM 641 CD2 TRP A 44 -3.572 -6.055 1.479 1.00 0.00 C ATOM 642 NE1 TRP A 44 -2.535 -6.602 3.386 1.00 0.00 N ATOM 643 CE2 TRP A 44 -3.404 -5.702 2.830 1.00 0.00 C ATOM 644 CE3 TRP A 44 -4.421 -5.282 0.680 1.00 0.00 C ATOM 645 CZ2 TRP A 44 -4.055 -4.609 3.399 1.00 0.00 C ATOM 646 CZ3 TRP A 44 -5.064 -4.196 1.247 1.00 0.00 C ATOM 647 CH2 TRP A 44 -4.877 -3.869 2.595 1.00 0.00 C ATOM 0 H TRP A 44 -1.686 -9.395 -1.939 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.755 -9.588 1.010 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.837 -7.452 -0.649 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.544 -7.846 -0.630 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.459 -8.319 2.579 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.224 -6.603 4.357 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.572 -5.528 -0.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -3.915 -4.355 4.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.721 -3.591 0.640 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.392 -3.015 3.009 1.00 0.00 H new ATOM 658 N PRO A 45 -3.875 -10.885 1.222 1.00 0.00 N ATOM 659 CA PRO A 45 -5.040 -11.777 1.348 1.00 0.00 C ATOM 660 C PRO A 45 -6.371 -11.043 1.192 1.00 0.00 C ATOM 661 O PRO A 45 -7.439 -11.652 1.252 1.00 0.00 O ATOM 662 CB PRO A 45 -4.910 -12.340 2.767 1.00 0.00 C ATOM 663 CG PRO A 45 -4.099 -11.330 3.503 1.00 0.00 C ATOM 664 CD PRO A 45 -3.146 -10.753 2.495 1.00 0.00 C ATOM 0 HA PRO A 45 -5.045 -12.537 0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.887 -12.476 3.230 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.421 -13.314 2.763 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.735 -10.554 3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.560 -11.790 4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.909 -9.712 2.716 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.202 -11.298 2.476 1.00 0.00 H new ATOM 672 N VAL A 46 -6.299 -9.738 0.990 1.00 0.00 N ATOM 673 CA VAL A 46 -7.483 -8.933 0.787 1.00 0.00 C ATOM 674 C VAL A 46 -7.864 -8.950 -0.687 1.00 0.00 C ATOM 675 O VAL A 46 -7.307 -8.209 -1.492 1.00 0.00 O ATOM 676 CB VAL A 46 -7.257 -7.479 1.248 1.00 0.00 C ATOM 677 CG1 VAL A 46 -8.524 -6.656 1.109 1.00 0.00 C ATOM 678 CG2 VAL A 46 -6.751 -7.451 2.680 1.00 0.00 C ATOM 0 H VAL A 46 -5.424 -9.214 0.963 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.291 -9.357 1.384 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.500 -7.033 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.333 -5.636 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.838 -6.645 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.312 -7.096 1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.596 -6.418 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.485 -7.921 3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.808 -7.994 2.743 1.00 0.00 H new ATOM 688 N GLN A 47 -8.793 -9.825 -1.039 1.00 0.00 N ATOM 689 CA GLN A 47 -9.257 -9.931 -2.415 1.00 0.00 C ATOM 690 C GLN A 47 -10.433 -8.986 -2.636 1.00 0.00 C ATOM 691 O GLN A 47 -10.743 -8.601 -3.764 1.00 0.00 O ATOM 692 CB GLN A 47 -9.647 -11.381 -2.726 1.00 0.00 C ATOM 693 CG GLN A 47 -10.012 -11.624 -4.183 1.00 0.00 C ATOM 694 CD GLN A 47 -10.183 -13.099 -4.496 1.00 0.00 C ATOM 695 OE1 GLN A 47 -9.543 -13.958 -3.884 1.00 0.00 O ATOM 696 NE2 GLN A 47 -11.047 -13.407 -5.449 1.00 0.00 N ATOM 0 H GLN A 47 -9.241 -10.473 -0.391 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.454 -9.644 -3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.818 -12.035 -2.456 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.493 -11.662 -2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.936 -11.096 -4.417 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.236 -11.206 -4.824 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.558 -12.668 -5.933 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.203 -14.383 -5.700 1.00 0.00 H new ATOM 705 N ARG A 48 -11.076 -8.607 -1.542 1.00 0.00 N ATOM 706 CA ARG A 48 -12.168 -7.653 -1.587 1.00 0.00 C ATOM 707 C ARG A 48 -11.905 -6.554 -0.564 1.00 0.00 C ATOM 708 O ARG A 48 -11.602 -6.845 0.592 1.00 0.00 O ATOM 709 CB ARG A 48 -13.504 -8.346 -1.288 1.00 0.00 C ATOM 710 CG ARG A 48 -13.684 -9.672 -2.011 1.00 0.00 C ATOM 711 CD ARG A 48 -15.089 -10.226 -1.829 1.00 0.00 C ATOM 712 NE ARG A 48 -15.153 -11.665 -2.089 1.00 0.00 N ATOM 713 CZ ARG A 48 -15.578 -12.214 -3.229 1.00 0.00 C ATOM 714 NH1 ARG A 48 -15.882 -11.456 -4.276 1.00 0.00 N ATOM 715 NH2 ARG A 48 -15.673 -13.533 -3.326 1.00 0.00 N ATOM 0 H ARG A 48 -10.856 -8.950 -0.607 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.229 -7.221 -2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -13.582 -8.515 -0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.319 -7.678 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.481 -9.538 -3.073 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.957 -10.393 -1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.428 -10.027 -0.812 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.773 -9.706 -2.500 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.851 -12.294 -1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.792 -10.442 -4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.206 -11.888 -5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.422 -14.122 -2.532 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.997 -13.958 -4.195 1.00 0.00 H new ATOM 729 N PRO A 49 -12.021 -5.279 -0.972 1.00 0.00 N ATOM 730 CA PRO A 49 -11.682 -4.126 -0.116 1.00 0.00 C ATOM 731 C PRO A 49 -12.637 -3.936 1.066 1.00 0.00 C ATOM 732 O PRO A 49 -12.603 -2.905 1.739 1.00 0.00 O ATOM 733 CB PRO A 49 -11.775 -2.935 -1.073 1.00 0.00 C ATOM 734 CG PRO A 49 -12.709 -3.378 -2.146 1.00 0.00 C ATOM 735 CD PRO A 49 -12.479 -4.854 -2.308 1.00 0.00 C ATOM 0 HA PRO A 49 -10.704 -4.255 0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.151 -2.047 -0.564 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.797 -2.679 -1.481 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.744 -3.172 -1.873 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.513 -2.848 -3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.391 -5.372 -2.603 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.732 -5.062 -3.074 1.00 0.00 H new ATOM 743 N ALA A 50 -13.470 -4.933 1.321 1.00 0.00 N ATOM 744 CA ALA A 50 -14.391 -4.895 2.444 1.00 0.00 C ATOM 745 C ALA A 50 -13.728 -5.459 3.695 1.00 0.00 C ATOM 746 O ALA A 50 -14.316 -5.467 4.774 1.00 0.00 O ATOM 747 CB ALA A 50 -15.658 -5.672 2.115 1.00 0.00 C ATOM 0 H ALA A 50 -13.526 -5.783 0.761 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.662 -3.857 2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -16.339 -5.635 2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.141 -5.229 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.403 -6.710 1.899 1.00 0.00 H new ATOM 753 N ASP A 51 -12.493 -5.921 3.540 1.00 0.00 N ATOM 754 CA ASP A 51 -11.742 -6.498 4.645 1.00 0.00 C ATOM 755 C ASP A 51 -10.370 -5.860 4.758 1.00 0.00 C ATOM 756 O ASP A 51 -9.359 -6.479 4.445 1.00 0.00 O ATOM 757 CB ASP A 51 -11.593 -8.015 4.496 1.00 0.00 C ATOM 758 CG ASP A 51 -12.811 -8.772 4.975 1.00 0.00 C ATOM 759 OD1 ASP A 51 -12.981 -8.909 6.207 1.00 0.00 O ATOM 760 OD2 ASP A 51 -13.599 -9.241 4.131 1.00 0.00 O ATOM 0 H ASP A 51 -11.989 -5.906 2.653 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.307 -6.296 5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.409 -8.257 3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.720 -8.347 5.058 1.00 0.00 H new ATOM 765 N ILE A 52 -10.346 -4.601 5.156 1.00 0.00 N ATOM 766 CA ILE A 52 -9.094 -3.912 5.431 1.00 0.00 C ATOM 767 C ILE A 52 -9.009 -3.546 6.910 1.00 0.00 C ATOM 768 O ILE A 52 -9.717 -2.653 7.380 1.00 0.00 O ATOM 769 CB ILE A 52 -8.940 -2.636 4.574 1.00 0.00 C ATOM 770 CG1 ILE A 52 -9.003 -2.984 3.083 1.00 0.00 C ATOM 771 CG2 ILE A 52 -7.632 -1.924 4.903 1.00 0.00 C ATOM 772 CD1 ILE A 52 -8.908 -1.778 2.173 1.00 0.00 C ATOM 0 H ILE A 52 -11.181 -4.032 5.297 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.283 -4.593 5.172 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.764 -1.962 4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.192 -3.673 2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.937 -3.509 2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.541 -1.028 4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -7.625 -1.645 5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.794 -2.590 4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.960 -2.102 1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.734 -1.098 2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.962 -1.265 2.347 1.00 0.00 H new ATOM 784 N THR A 53 -8.158 -4.257 7.639 1.00 0.00 N ATOM 785 CA THR A 53 -7.990 -4.030 9.068 1.00 0.00 C ATOM 786 C THR A 53 -6.595 -3.496 9.375 1.00 0.00 C ATOM 787 O THR A 53 -5.746 -3.414 8.484 1.00 0.00 O ATOM 788 CB THR A 53 -8.213 -5.330 9.867 1.00 0.00 C ATOM 789 OG1 THR A 53 -7.318 -6.351 9.396 1.00 0.00 O ATOM 790 CG2 THR A 53 -9.652 -5.808 9.742 1.00 0.00 C ATOM 0 H THR A 53 -7.570 -5.000 7.261 1.00 0.00 H new ATOM 0 HA THR A 53 -8.735 -3.292 9.366 1.00 0.00 H new ATOM 0 HB THR A 53 -8.011 -5.124 10.918 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.462 -7.174 9.908 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.781 -6.726 10.315 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.325 -5.042 10.127 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.882 -5.999 8.694 1.00 0.00 H new ATOM 798 N ALA A 54 -6.359 -3.151 10.638 1.00 0.00 N ATOM 799 CA ALA A 54 -5.059 -2.653 11.072 1.00 0.00 C ATOM 800 C ALA A 54 -3.978 -3.711 10.880 1.00 0.00 C ATOM 801 O ALA A 54 -2.891 -3.416 10.387 1.00 0.00 O ATOM 802 CB ALA A 54 -5.118 -2.223 12.529 1.00 0.00 C ATOM 0 H ALA A 54 -7.055 -3.208 11.381 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.805 -1.789 10.458 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.141 -1.854 12.839 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.859 -1.432 12.645 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.397 -3.075 13.149 1.00 0.00 H new ATOM 808 N SER A 55 -4.296 -4.947 11.256 1.00 0.00 N ATOM 809 CA SER A 55 -3.352 -6.056 11.157 1.00 0.00 C ATOM 810 C SER A 55 -2.904 -6.267 9.712 1.00 0.00 C ATOM 811 O SER A 55 -1.730 -6.528 9.441 1.00 0.00 O ATOM 812 CB SER A 55 -3.996 -7.331 11.706 1.00 0.00 C ATOM 813 OG SER A 55 -4.508 -7.115 13.012 1.00 0.00 O ATOM 0 H SER A 55 -5.207 -5.206 11.635 1.00 0.00 H new ATOM 0 HA SER A 55 -2.469 -5.815 11.749 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.800 -7.652 11.044 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.261 -8.135 11.727 1.00 0.00 H new ATOM 0 HG SER A 55 -4.917 -7.941 13.344 1.00 0.00 H new ATOM 819 N LEU A 56 -3.841 -6.125 8.785 1.00 0.00 N ATOM 820 CA LEU A 56 -3.546 -6.300 7.372 1.00 0.00 C ATOM 821 C LEU A 56 -2.684 -5.152 6.853 1.00 0.00 C ATOM 822 O LEU A 56 -1.826 -5.352 5.994 1.00 0.00 O ATOM 823 CB LEU A 56 -4.844 -6.408 6.573 1.00 0.00 C ATOM 824 CG LEU A 56 -5.709 -7.618 6.929 1.00 0.00 C ATOM 825 CD1 LEU A 56 -7.042 -7.555 6.206 1.00 0.00 C ATOM 826 CD2 LEU A 56 -4.981 -8.911 6.588 1.00 0.00 C ATOM 0 H LEU A 56 -4.812 -5.889 8.987 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.983 -7.225 7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.428 -5.501 6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.600 -6.451 5.512 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.899 -7.599 8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.642 -8.425 6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.570 -6.647 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.872 -7.548 5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.610 -9.762 6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.761 -8.934 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.049 -8.963 7.151 1.00 0.00 H new ATOM 838 N LEU A 57 -2.905 -3.959 7.394 1.00 0.00 N ATOM 839 CA LEU A 57 -2.103 -2.794 7.033 1.00 0.00 C ATOM 840 C LEU A 57 -0.678 -2.950 7.552 1.00 0.00 C ATOM 841 O LEU A 57 0.279 -2.534 6.901 1.00 0.00 O ATOM 842 CB LEU A 57 -2.728 -1.513 7.593 1.00 0.00 C ATOM 843 CG LEU A 57 -4.095 -1.147 7.015 1.00 0.00 C ATOM 844 CD1 LEU A 57 -4.661 0.075 7.719 1.00 0.00 C ATOM 845 CD2 LEU A 57 -3.993 -0.897 5.517 1.00 0.00 C ATOM 0 H LEU A 57 -3.633 -3.772 8.084 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.077 -2.721 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.825 -1.618 8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.042 -0.685 7.413 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.772 -1.985 7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.634 0.321 7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.772 -0.137 8.783 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.983 0.918 7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.976 -0.638 5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.300 -0.076 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.630 -1.798 5.022 1.00 0.00 H new ATOM 857 N GLN A 58 -0.546 -3.563 8.724 1.00 0.00 N ATOM 858 CA GLN A 58 0.762 -3.830 9.314 1.00 0.00 C ATOM 859 C GLN A 58 1.574 -4.758 8.414 1.00 0.00 C ATOM 860 O GLN A 58 2.771 -4.550 8.207 1.00 0.00 O ATOM 861 CB GLN A 58 0.602 -4.449 10.706 1.00 0.00 C ATOM 862 CG GLN A 58 -0.087 -3.532 11.704 1.00 0.00 C ATOM 863 CD GLN A 58 -0.403 -4.218 13.020 1.00 0.00 C ATOM 864 OE1 GLN A 58 -0.637 -5.426 13.068 1.00 0.00 O ATOM 865 NE2 GLN A 58 -0.420 -3.452 14.099 1.00 0.00 N ATOM 0 H GLN A 58 -1.333 -3.886 9.287 1.00 0.00 H new ATOM 0 HA GLN A 58 1.296 -2.885 9.411 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.031 -5.373 10.620 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.586 -4.717 11.091 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.550 -2.668 11.895 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.011 -3.156 11.265 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.221 -2.455 14.020 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.632 -3.859 15.010 1.00 0.00 H new ATOM 874 N GLN A 59 0.912 -5.774 7.871 1.00 0.00 N ATOM 875 CA GLN A 59 1.555 -6.691 6.939 1.00 0.00 C ATOM 876 C GLN A 59 1.873 -5.980 5.628 1.00 0.00 C ATOM 877 O GLN A 59 2.931 -6.193 5.034 1.00 0.00 O ATOM 878 CB GLN A 59 0.663 -7.905 6.666 1.00 0.00 C ATOM 879 CG GLN A 59 0.435 -8.789 7.882 1.00 0.00 C ATOM 880 CD GLN A 59 -0.366 -10.033 7.551 1.00 0.00 C ATOM 881 OE1 GLN A 59 -1.213 -10.024 6.656 1.00 0.00 O ATOM 882 NE2 GLN A 59 -0.100 -11.116 8.266 1.00 0.00 N ATOM 0 H GLN A 59 -0.068 -5.983 8.060 1.00 0.00 H new ATOM 0 HA GLN A 59 2.484 -7.036 7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.302 -7.558 6.295 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.113 -8.503 5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.398 -9.081 8.301 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.087 -8.218 8.650 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.609 -11.082 8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.604 -11.984 8.084 1.00 0.00 H new ATOM 891 N ALA A 60 0.958 -5.116 5.201 1.00 0.00 N ATOM 892 CA ALA A 60 1.107 -4.379 3.950 1.00 0.00 C ATOM 893 C ALA A 60 2.264 -3.387 4.016 1.00 0.00 C ATOM 894 O ALA A 60 2.774 -2.948 2.990 1.00 0.00 O ATOM 895 CB ALA A 60 -0.187 -3.655 3.610 1.00 0.00 C ATOM 0 H ALA A 60 0.098 -4.907 5.708 1.00 0.00 H new ATOM 0 HA ALA A 60 1.332 -5.100 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.063 -3.109 2.675 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.993 -4.381 3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.433 -2.956 4.409 1.00 0.00 H new ATOM 901 N ALA A 61 2.674 -3.039 5.230 1.00 0.00 N ATOM 902 CA ALA A 61 3.787 -2.119 5.430 1.00 0.00 C ATOM 903 C ALA A 61 5.126 -2.836 5.283 1.00 0.00 C ATOM 904 O ALA A 61 6.187 -2.231 5.430 1.00 0.00 O ATOM 905 CB ALA A 61 3.684 -1.458 6.798 1.00 0.00 C ATOM 0 H ALA A 61 2.251 -3.381 6.093 1.00 0.00 H new ATOM 0 HA ALA A 61 3.733 -1.348 4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.521 -0.773 6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.747 -0.904 6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.710 -2.223 7.574 1.00 0.00 H new ATOM 911 N GLY A 62 5.068 -4.134 5.004 1.00 0.00 N ATOM 912 CA GLY A 62 6.278 -4.912 4.808 1.00 0.00 C ATOM 913 C GLY A 62 6.850 -5.431 6.111 1.00 0.00 C ATOM 914 O GLY A 62 7.860 -6.138 6.122 1.00 0.00 O ATOM 0 H GLY A 62 4.201 -4.663 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.063 -5.753 4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.025 -4.297 4.306 1.00 0.00 H new ATOM 918 N LEU A 63 6.183 -5.112 7.210 1.00 0.00 N ATOM 919 CA LEU A 63 6.657 -5.484 8.539 1.00 0.00 C ATOM 920 C LEU A 63 6.190 -6.894 8.908 1.00 0.00 C ATOM 921 O LEU A 63 6.116 -7.250 10.082 1.00 0.00 O ATOM 922 CB LEU A 63 6.149 -4.472 9.571 1.00 0.00 C ATOM 923 CG LEU A 63 6.491 -3.006 9.278 1.00 0.00 C ATOM 924 CD1 LEU A 63 5.852 -2.092 10.313 1.00 0.00 C ATOM 925 CD2 LEU A 63 7.999 -2.802 9.249 1.00 0.00 C ATOM 0 H LEU A 63 5.305 -4.593 7.209 1.00 0.00 H new ATOM 0 HA LEU A 63 7.747 -5.477 8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.066 -4.567 9.645 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.560 -4.735 10.546 1.00 0.00 H new ATOM 0 HG LEU A 63 6.091 -2.751 8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.105 -1.056 10.089 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.769 -2.214 10.287 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.223 -2.350 11.305 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.221 -1.756 9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.422 -3.076 10.215 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.436 -3.428 8.471 1.00 0.00 H new ATOM 1274 N ALA A 88 11.933 2.203 8.050 1.00 0.00 N ATOM 1275 CA ALA A 88 10.513 1.939 7.883 1.00 0.00 C ATOM 1276 C ALA A 88 9.891 3.003 6.984 1.00 0.00 C ATOM 1277 O ALA A 88 10.409 4.116 6.891 1.00 0.00 O ATOM 1278 CB ALA A 88 9.818 1.895 9.240 1.00 0.00 C ATOM 0 HA ALA A 88 10.383 0.967 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.756 1.697 9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.257 1.104 9.848 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.944 2.853 9.745 1.00 0.00 H new ATOM 1284 N PRO A 89 8.787 2.669 6.295 1.00 0.00 N ATOM 1285 CA PRO A 89 8.114 3.593 5.377 1.00 0.00 C ATOM 1286 C PRO A 89 7.659 4.886 6.049 1.00 0.00 C ATOM 1287 O PRO A 89 7.044 4.863 7.113 1.00 0.00 O ATOM 1288 CB PRO A 89 6.892 2.806 4.888 1.00 0.00 C ATOM 1289 CG PRO A 89 6.731 1.681 5.854 1.00 0.00 C ATOM 1290 CD PRO A 89 8.110 1.363 6.348 1.00 0.00 C ATOM 0 HA PRO A 89 8.790 3.908 4.582 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.002 3.436 4.867 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.044 2.435 3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.077 1.965 6.678 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.279 0.814 5.372 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.093 0.957 7.360 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.605 0.625 5.717 1.00 0.00 H new ATOM 1298 N GLU A 90 7.964 6.009 5.415 1.00 0.00 N ATOM 1299 CA GLU A 90 7.457 7.297 5.861 1.00 0.00 C ATOM 1300 C GLU A 90 6.003 7.429 5.452 1.00 0.00 C ATOM 1301 O GLU A 90 5.195 8.037 6.152 1.00 0.00 O ATOM 1302 CB GLU A 90 8.256 8.444 5.240 1.00 0.00 C ATOM 1303 CG GLU A 90 9.682 8.556 5.740 1.00 0.00 C ATOM 1304 CD GLU A 90 10.429 9.682 5.061 1.00 0.00 C ATOM 1305 OE1 GLU A 90 9.962 10.839 5.132 1.00 0.00 O ATOM 1306 OE2 GLU A 90 11.478 9.416 4.442 1.00 0.00 O ATOM 0 H GLU A 90 8.561 6.053 4.589 1.00 0.00 H new ATOM 0 HA GLU A 90 7.554 7.351 6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.272 8.315 4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.738 9.382 5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.677 8.721 6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.204 7.615 5.564 1.00 0.00 H new ATOM 1313 N VAL A 91 5.684 6.852 4.303 1.00 0.00 N ATOM 1314 CA VAL A 91 4.334 6.901 3.776 1.00 0.00 C ATOM 1315 C VAL A 91 3.893 5.528 3.270 1.00 0.00 C ATOM 1316 O VAL A 91 4.648 4.825 2.589 1.00 0.00 O ATOM 1317 CB VAL A 91 4.216 7.958 2.648 1.00 0.00 C ATOM 1318 CG1 VAL A 91 5.233 7.699 1.547 1.00 0.00 C ATOM 1319 CG2 VAL A 91 2.806 7.996 2.075 1.00 0.00 C ATOM 0 H VAL A 91 6.347 6.343 3.718 1.00 0.00 H new ATOM 0 HA VAL A 91 3.671 7.194 4.590 1.00 0.00 H new ATOM 0 HB VAL A 91 4.430 8.933 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.128 8.455 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.239 7.744 1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.062 6.711 1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.754 8.746 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.554 7.019 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.099 8.250 2.865 1.00 0.00 H new ATOM 1329 N LEU A 92 2.682 5.142 3.639 1.00 0.00 N ATOM 1330 CA LEU A 92 2.097 3.894 3.181 1.00 0.00 C ATOM 1331 C LEU A 92 0.896 4.197 2.297 1.00 0.00 C ATOM 1332 O LEU A 92 -0.114 4.724 2.766 1.00 0.00 O ATOM 1333 CB LEU A 92 1.678 3.023 4.371 1.00 0.00 C ATOM 1334 CG LEU A 92 1.051 1.673 4.005 1.00 0.00 C ATOM 1335 CD1 LEU A 92 2.043 0.803 3.253 1.00 0.00 C ATOM 1336 CD2 LEU A 92 0.556 0.960 5.253 1.00 0.00 C ATOM 0 H LEU A 92 2.081 5.682 4.261 1.00 0.00 H new ATOM 0 HA LEU A 92 2.840 3.342 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.554 2.841 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.966 3.583 4.978 1.00 0.00 H new ATOM 0 HG LEU A 92 0.199 1.859 3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.576 -0.150 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.348 1.308 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.918 0.625 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.114 0.003 4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.393 0.789 5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.194 1.575 5.750 1.00 0.00 H new ATOM 1348 N LEU A 93 1.014 3.884 1.021 1.00 0.00 N ATOM 1349 CA LEU A 93 -0.030 4.203 0.062 1.00 0.00 C ATOM 1350 C LEU A 93 -0.973 3.026 -0.132 1.00 0.00 C ATOM 1351 O LEU A 93 -0.566 1.964 -0.601 1.00 0.00 O ATOM 1352 CB LEU A 93 0.584 4.606 -1.278 1.00 0.00 C ATOM 1353 CG LEU A 93 1.446 5.868 -1.246 1.00 0.00 C ATOM 1354 CD1 LEU A 93 2.083 6.110 -2.602 1.00 0.00 C ATOM 1355 CD2 LEU A 93 0.613 7.071 -0.825 1.00 0.00 C ATOM 0 H LEU A 93 1.823 3.408 0.622 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.604 5.041 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.192 3.779 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.221 4.753 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 93 2.240 5.726 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.693 7.012 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.711 5.259 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.303 6.233 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.242 7.961 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.201 7.216 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.201 6.898 0.169 1.00 0.00 H new ATOM 1367 N VAL A 94 -2.226 3.215 0.242 1.00 0.00 N ATOM 1368 CA VAL A 94 -3.243 2.205 0.019 1.00 0.00 C ATOM 1369 C VAL A 94 -3.997 2.528 -1.266 1.00 0.00 C ATOM 1370 O VAL A 94 -4.865 3.403 -1.287 1.00 0.00 O ATOM 1371 CB VAL A 94 -4.233 2.111 1.203 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -5.209 0.962 1.000 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -3.482 1.947 2.518 1.00 0.00 C ATOM 0 H VAL A 94 -2.563 4.060 0.702 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.748 1.238 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.802 3.040 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.896 0.915 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.774 1.122 0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.658 0.025 0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.196 1.883 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.884 1.036 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.827 2.805 2.673 1.00 0.00 H new ATOM 1383 N GLY A 95 -3.642 1.835 -2.338 1.00 0.00 N ATOM 1384 CA GLY A 95 -4.202 2.129 -3.640 1.00 0.00 C ATOM 1385 C GLY A 95 -5.511 1.414 -3.877 1.00 0.00 C ATOM 1386 O GLY A 95 -5.561 0.420 -4.601 1.00 0.00 O ATOM 0 H GLY A 95 -2.970 1.068 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.356 3.204 -3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -3.489 1.842 -4.413 1.00 0.00 H new ATOM 1390 N THR A 96 -6.570 1.915 -3.266 1.00 0.00 N ATOM 1391 CA THR A 96 -7.886 1.324 -3.415 1.00 0.00 C ATOM 1392 C THR A 96 -8.689 2.096 -4.458 1.00 0.00 C ATOM 1393 O THR A 96 -9.359 3.079 -4.143 1.00 0.00 O ATOM 1394 CB THR A 96 -8.642 1.322 -2.074 1.00 0.00 C ATOM 1395 OG1 THR A 96 -7.706 1.436 -0.996 1.00 0.00 O ATOM 1396 CG2 THR A 96 -9.439 0.040 -1.902 1.00 0.00 C ATOM 0 H THR A 96 -6.542 2.734 -2.659 1.00 0.00 H new ATOM 0 HA THR A 96 -7.762 0.292 -3.743 1.00 0.00 H new ATOM 0 HB THR A 96 -9.329 2.168 -2.068 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.188 1.436 -0.143 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.964 0.063 -0.947 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.163 -0.050 -2.712 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.763 -0.815 -1.924 1.00 0.00 H new ATOM 1404 N GLY A 97 -8.585 1.668 -5.708 1.00 0.00 N ATOM 1405 CA GLY A 97 -9.227 2.384 -6.793 1.00 0.00 C ATOM 1406 C GLY A 97 -10.665 1.968 -7.012 1.00 0.00 C ATOM 1407 O GLY A 97 -11.489 2.779 -7.440 1.00 0.00 O ATOM 0 H GLY A 97 -8.067 0.836 -5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.192 3.453 -6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.664 2.220 -7.712 1.00 0.00 H new ATOM 1411 N ARG A 98 -10.969 0.708 -6.721 1.00 0.00 N ATOM 1412 CA ARG A 98 -12.315 0.178 -6.917 1.00 0.00 C ATOM 1413 C ARG A 98 -13.306 0.896 -6.002 1.00 0.00 C ATOM 1414 O ARG A 98 -14.346 1.375 -6.448 1.00 0.00 O ATOM 1415 CB ARG A 98 -12.327 -1.329 -6.653 1.00 0.00 C ATOM 1416 CG ARG A 98 -13.620 -2.012 -7.066 1.00 0.00 C ATOM 1417 CD ARG A 98 -13.524 -3.520 -6.903 1.00 0.00 C ATOM 1418 NE ARG A 98 -14.712 -4.206 -7.410 1.00 0.00 N ATOM 1419 CZ ARG A 98 -14.726 -5.482 -7.799 1.00 0.00 C ATOM 1420 NH1 ARG A 98 -13.630 -6.227 -7.704 1.00 0.00 N ATOM 1421 NH2 ARG A 98 -15.837 -6.019 -8.287 1.00 0.00 N ATOM 0 H ARG A 98 -10.301 0.033 -6.348 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.618 0.351 -7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.497 -1.789 -7.188 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.157 -1.504 -5.591 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -14.444 -1.631 -6.463 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.846 -1.770 -8.104 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.643 -3.886 -7.430 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.389 -3.762 -5.849 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.582 -3.677 -7.470 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.770 -5.824 -7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.648 -7.202 -8.003 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -16.684 -5.456 -8.366 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -15.844 -6.995 -8.584 1.00 0.00 H new ATOM 1435 N ARG A 99 -12.968 0.970 -4.722 1.00 0.00 N ATOM 1436 CA ARG A 99 -13.750 1.727 -3.751 1.00 0.00 C ATOM 1437 C ARG A 99 -12.820 2.341 -2.725 1.00 0.00 C ATOM 1438 O ARG A 99 -11.941 1.660 -2.206 1.00 0.00 O ATOM 1439 CB ARG A 99 -14.776 0.843 -3.031 1.00 0.00 C ATOM 1440 CG ARG A 99 -15.955 0.420 -3.887 1.00 0.00 C ATOM 1441 CD ARG A 99 -17.032 -0.241 -3.044 1.00 0.00 C ATOM 1442 NE ARG A 99 -18.189 -0.644 -3.840 1.00 0.00 N ATOM 1443 CZ ARG A 99 -19.439 -0.668 -3.376 1.00 0.00 C ATOM 1444 NH1 ARG A 99 -19.710 -0.222 -2.153 1.00 0.00 N ATOM 1445 NH2 ARG A 99 -20.421 -1.111 -4.151 1.00 0.00 N ATOM 0 H ARG A 99 -12.148 0.510 -4.327 1.00 0.00 H new ATOM 0 HA ARG A 99 -14.291 2.503 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -14.272 -0.051 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -15.150 1.380 -2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -16.370 1.290 -4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.618 -0.271 -4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.614 -1.116 -2.545 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -17.353 0.448 -2.263 1.00 0.00 H new ATOM 0 HE ARG A 99 -18.031 -0.924 -4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -18.960 0.141 -1.565 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -20.668 -0.243 -1.803 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -20.218 -1.432 -5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -21.378 -1.131 -3.800 1.00 0.00 H new ATOM 1459 N GLN A 100 -12.999 3.621 -2.442 1.00 0.00 N ATOM 1460 CA GLN A 100 -12.191 4.288 -1.445 1.00 0.00 C ATOM 1461 C GLN A 100 -12.584 3.827 -0.048 1.00 0.00 C ATOM 1462 O GLN A 100 -13.503 4.375 0.561 1.00 0.00 O ATOM 1463 CB GLN A 100 -12.350 5.801 -1.555 1.00 0.00 C ATOM 1464 CG GLN A 100 -11.874 6.378 -2.878 1.00 0.00 C ATOM 1465 CD GLN A 100 -11.934 7.893 -2.905 1.00 0.00 C ATOM 1466 OE1 GLN A 100 -12.768 8.509 -2.239 1.00 0.00 O ATOM 1467 NE2 GLN A 100 -11.049 8.503 -3.675 1.00 0.00 N ATOM 0 H GLN A 100 -13.697 4.215 -2.890 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.147 4.030 -1.622 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -13.400 6.057 -1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.797 6.274 -0.744 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.850 6.055 -3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -12.487 5.979 -3.686 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.375 7.955 -4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.040 9.521 -3.734 1.00 0.00 H new ATOM 1476 N HIS A 101 -11.907 2.795 0.437 1.00 0.00 N ATOM 1477 CA HIS A 101 -12.155 2.283 1.776 1.00 0.00 C ATOM 1478 C HIS A 101 -11.574 3.234 2.808 1.00 0.00 C ATOM 1479 O HIS A 101 -10.355 3.337 2.951 1.00 0.00 O ATOM 1480 CB HIS A 101 -11.546 0.885 1.944 1.00 0.00 C ATOM 1481 CG HIS A 101 -11.776 0.276 3.300 1.00 0.00 C ATOM 1482 ND1 HIS A 101 -10.963 0.525 4.385 1.00 0.00 N ATOM 1483 CD2 HIS A 101 -12.726 -0.585 3.737 1.00 0.00 C ATOM 1484 CE1 HIS A 101 -11.401 -0.157 5.428 1.00 0.00 C ATOM 1485 NE2 HIS A 101 -12.469 -0.840 5.064 1.00 0.00 N ATOM 0 H HIS A 101 -11.181 2.296 -0.078 1.00 0.00 H new ATOM 0 HA HIS A 101 -13.232 2.207 1.925 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.964 0.224 1.185 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.473 0.943 1.760 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -13.536 -0.995 3.152 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -10.959 -0.156 6.413 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -13.014 -1.456 5.667 1.00 0.00 H new ATOM 1494 N LEU A 102 -12.450 3.924 3.517 1.00 0.00 N ATOM 1495 CA LEU A 102 -12.035 4.880 4.527 1.00 0.00 C ATOM 1496 C LEU A 102 -11.232 4.188 5.616 1.00 0.00 C ATOM 1497 O LEU A 102 -11.712 3.255 6.265 1.00 0.00 O ATOM 1498 CB LEU A 102 -13.251 5.577 5.140 1.00 0.00 C ATOM 1499 CG LEU A 102 -14.120 6.356 4.151 1.00 0.00 C ATOM 1500 CD1 LEU A 102 -15.301 6.993 4.869 1.00 0.00 C ATOM 1501 CD2 LEU A 102 -13.297 7.415 3.433 1.00 0.00 C ATOM 0 H LEU A 102 -13.461 3.838 3.410 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.406 5.630 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -13.871 4.827 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -12.906 6.262 5.914 1.00 0.00 H new ATOM 0 HG LEU A 102 -14.504 5.659 3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -15.909 7.543 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -15.905 6.215 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -14.935 7.677 5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.933 7.958 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.883 8.111 4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.484 6.936 2.887 1.00 0.00 H new ATOM 1513 N LEU A 103 -9.997 4.625 5.790 1.00 0.00 N ATOM 1514 CA LEU A 103 -9.147 4.089 6.834 1.00 0.00 C ATOM 1515 C LEU A 103 -9.511 4.741 8.158 1.00 0.00 C ATOM 1516 O LEU A 103 -9.945 5.894 8.186 1.00 0.00 O ATOM 1517 CB LEU A 103 -7.675 4.336 6.498 1.00 0.00 C ATOM 1518 CG LEU A 103 -7.218 3.783 5.143 1.00 0.00 C ATOM 1519 CD1 LEU A 103 -5.763 4.139 4.886 1.00 0.00 C ATOM 1520 CD2 LEU A 103 -7.414 2.274 5.083 1.00 0.00 C ATOM 0 H LEU A 103 -9.562 5.350 5.220 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.300 3.013 6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.489 5.410 6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.060 3.892 7.281 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.830 4.239 4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.456 3.739 3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.649 5.223 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.140 3.711 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.083 1.902 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.830 1.800 5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.469 2.038 5.221 1.00 0.00 H new ATOM 1532 N GLY A 104 -9.347 4.011 9.243 1.00 0.00 N ATOM 1533 CA GLY A 104 -9.746 4.523 10.533 1.00 0.00 C ATOM 1534 C GLY A 104 -8.564 4.936 11.375 1.00 0.00 C ATOM 1535 O GLY A 104 -7.495 4.325 11.280 1.00 0.00 O ATOM 0 H GLY A 104 -8.945 3.074 9.256 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.407 5.379 10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.318 3.761 11.063 1.00 0.00 H new ATOM 1539 N PRO A 105 -8.728 5.970 12.216 1.00 0.00 N ATOM 1540 CA PRO A 105 -7.649 6.501 13.055 1.00 0.00 C ATOM 1541 C PRO A 105 -7.022 5.433 13.945 1.00 0.00 C ATOM 1542 O PRO A 105 -5.830 5.480 14.232 1.00 0.00 O ATOM 1543 CB PRO A 105 -8.344 7.563 13.913 1.00 0.00 C ATOM 1544 CG PRO A 105 -9.551 7.952 13.133 1.00 0.00 C ATOM 1545 CD PRO A 105 -9.988 6.713 12.406 1.00 0.00 C ATOM 0 HA PRO A 105 -6.828 6.890 12.452 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.616 7.166 14.891 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.693 8.419 14.087 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.340 8.318 13.790 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.321 8.755 12.433 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -10.710 6.139 12.987 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -10.462 6.951 11.454 1.00 0.00 H new ATOM 1553 N GLU A 106 -7.833 4.471 14.367 1.00 0.00 N ATOM 1554 CA GLU A 106 -7.362 3.385 15.216 1.00 0.00 C ATOM 1555 C GLU A 106 -6.654 2.313 14.391 1.00 0.00 C ATOM 1556 O GLU A 106 -5.747 1.641 14.876 1.00 0.00 O ATOM 1557 CB GLU A 106 -8.533 2.767 15.976 1.00 0.00 C ATOM 1558 CG GLU A 106 -9.210 3.728 16.939 1.00 0.00 C ATOM 1559 CD GLU A 106 -10.472 3.146 17.540 1.00 0.00 C ATOM 1560 OE1 GLU A 106 -10.369 2.202 18.349 1.00 0.00 O ATOM 1561 OE2 GLU A 106 -11.571 3.636 17.207 1.00 0.00 O ATOM 0 H GLU A 106 -8.825 4.421 14.134 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.648 3.797 15.929 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.270 2.405 15.259 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.177 1.900 16.532 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.516 3.987 17.738 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.453 4.653 16.415 1.00 0.00 H new ATOM 1568 N GLN A 107 -7.064 2.172 13.137 1.00 0.00 N ATOM 1569 CA GLN A 107 -6.495 1.161 12.253 1.00 0.00 C ATOM 1570 C GLN A 107 -5.095 1.560 11.807 1.00 0.00 C ATOM 1571 O GLN A 107 -4.184 0.737 11.763 1.00 0.00 O ATOM 1572 CB GLN A 107 -7.394 0.947 11.034 1.00 0.00 C ATOM 1573 CG GLN A 107 -8.745 0.338 11.373 1.00 0.00 C ATOM 1574 CD GLN A 107 -9.634 0.172 10.155 1.00 0.00 C ATOM 1575 OE1 GLN A 107 -9.571 0.959 9.207 1.00 0.00 O ATOM 1576 NE2 GLN A 107 -10.469 -0.856 10.170 1.00 0.00 N ATOM 0 H GLN A 107 -7.790 2.746 12.708 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.428 0.225 12.808 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.551 1.904 10.536 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -6.881 0.299 10.324 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.593 -0.634 11.842 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.251 0.969 12.104 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.490 -1.484 10.973 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.091 -1.020 9.378 1.00 0.00 H new ATOM 1585 N VAL A 108 -4.925 2.832 11.489 1.00 0.00 N ATOM 1586 CA VAL A 108 -3.630 3.336 11.054 1.00 0.00 C ATOM 1587 C VAL A 108 -2.826 3.864 12.238 1.00 0.00 C ATOM 1588 O VAL A 108 -1.709 4.353 12.072 1.00 0.00 O ATOM 1589 CB VAL A 108 -3.783 4.451 9.997 1.00 0.00 C ATOM 1590 CG1 VAL A 108 -4.441 3.906 8.739 1.00 0.00 C ATOM 1591 CG2 VAL A 108 -4.585 5.618 10.552 1.00 0.00 C ATOM 0 H VAL A 108 -5.664 3.534 11.523 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.096 2.500 10.602 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.788 4.813 9.740 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.541 4.706 8.005 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.827 3.107 8.324 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.428 3.514 8.985 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.679 6.391 9.789 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.577 5.272 10.843 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.074 6.029 11.423 1.00 0.00 H new ATOM 1601 N ARG A 109 -3.393 3.730 13.433 1.00 0.00 N ATOM 1602 CA ARG A 109 -2.787 4.268 14.650 1.00 0.00 C ATOM 1603 C ARG A 109 -1.391 3.687 14.911 1.00 0.00 C ATOM 1604 O ARG A 109 -0.432 4.450 15.035 1.00 0.00 O ATOM 1605 CB ARG A 109 -3.696 4.021 15.857 1.00 0.00 C ATOM 1606 CG ARG A 109 -3.218 4.699 17.126 1.00 0.00 C ATOM 1607 CD ARG A 109 -4.142 4.401 18.291 1.00 0.00 C ATOM 1608 NE ARG A 109 -3.743 5.123 19.496 1.00 0.00 N ATOM 1609 CZ ARG A 109 -4.087 4.763 20.729 1.00 0.00 C ATOM 1610 NH1 ARG A 109 -4.821 3.675 20.933 1.00 0.00 N ATOM 1611 NH2 ARG A 109 -3.690 5.495 21.761 1.00 0.00 N ATOM 0 H ARG A 109 -4.279 3.249 13.587 1.00 0.00 H new ATOM 0 HA ARG A 109 -2.671 5.341 14.501 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.700 4.374 15.623 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -3.768 2.948 16.033 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.209 4.361 17.364 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -3.165 5.776 16.968 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -5.163 4.674 18.025 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -4.141 3.330 18.492 1.00 0.00 H new ATOM 0 HE ARG A 109 -3.164 5.956 19.385 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -5.125 3.109 20.141 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -5.081 3.406 21.882 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -3.124 6.329 21.607 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -3.951 5.224 22.709 1.00 0.00 H new ATOM 1625 N PRO A 110 -1.236 2.342 14.985 1.00 0.00 N ATOM 1626 CA PRO A 110 0.066 1.722 15.267 1.00 0.00 C ATOM 1627 C PRO A 110 1.130 2.118 14.247 1.00 0.00 C ATOM 1628 O PRO A 110 2.320 2.147 14.551 1.00 0.00 O ATOM 1629 CB PRO A 110 -0.212 0.215 15.192 1.00 0.00 C ATOM 1630 CG PRO A 110 -1.508 0.089 14.466 1.00 0.00 C ATOM 1631 CD PRO A 110 -2.289 1.322 14.807 1.00 0.00 C ATOM 0 HA PRO A 110 0.459 2.041 16.232 1.00 0.00 H new ATOM 0 HB2 PRO A 110 0.587 -0.306 14.664 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.275 -0.223 16.188 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.348 0.013 13.391 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.043 -0.810 14.773 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.983 1.593 14.012 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.879 1.188 15.714 1.00 0.00 H new ATOM 1639 N LEU A 111 0.688 2.443 13.041 1.00 0.00 N ATOM 1640 CA LEU A 111 1.595 2.833 11.976 1.00 0.00 C ATOM 1641 C LEU A 111 1.950 4.312 12.095 1.00 0.00 C ATOM 1642 O LEU A 111 3.116 4.687 11.975 1.00 0.00 O ATOM 1643 CB LEU A 111 0.968 2.527 10.615 1.00 0.00 C ATOM 1644 CG LEU A 111 0.646 1.047 10.381 1.00 0.00 C ATOM 1645 CD1 LEU A 111 -0.071 0.853 9.056 1.00 0.00 C ATOM 1646 CD2 LEU A 111 1.915 0.209 10.427 1.00 0.00 C ATOM 0 H LEU A 111 -0.297 2.444 12.777 1.00 0.00 H new ATOM 0 HA LEU A 111 2.516 2.258 12.066 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.050 3.106 10.514 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.646 2.866 9.832 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.017 0.714 11.180 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.289 -0.205 8.912 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.003 1.418 9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.564 1.207 8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.665 -0.839 10.259 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.603 0.547 9.652 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.387 0.317 11.403 1.00 0.00 H new ATOM 1658 N LEU A 112 0.945 5.145 12.360 1.00 0.00 N ATOM 1659 CA LEU A 112 1.168 6.576 12.559 1.00 0.00 C ATOM 1660 C LEU A 112 2.076 6.815 13.760 1.00 0.00 C ATOM 1661 O LEU A 112 2.896 7.734 13.758 1.00 0.00 O ATOM 1662 CB LEU A 112 -0.156 7.317 12.769 1.00 0.00 C ATOM 1663 CG LEU A 112 -1.095 7.353 11.562 1.00 0.00 C ATOM 1664 CD1 LEU A 112 -2.379 8.086 11.916 1.00 0.00 C ATOM 1665 CD2 LEU A 112 -0.419 8.014 10.370 1.00 0.00 C ATOM 0 H LEU A 112 -0.029 4.855 12.442 1.00 0.00 H new ATOM 0 HA LEU A 112 1.648 6.962 11.660 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.683 6.852 13.602 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.066 8.343 13.064 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.340 6.327 11.288 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.038 8.104 11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.876 7.572 12.739 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.144 9.108 12.215 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.106 8.028 9.524 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.142 9.036 10.629 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.476 7.452 10.102 1.00 0.00 H new ATOM 1677 N ALA A 113 1.928 5.968 14.776 1.00 0.00 N ATOM 1678 CA ALA A 113 2.738 6.056 15.985 1.00 0.00 C ATOM 1679 C ALA A 113 4.208 5.774 15.687 1.00 0.00 C ATOM 1680 O ALA A 113 5.096 6.247 16.397 1.00 0.00 O ATOM 1681 CB ALA A 113 2.217 5.092 17.037 1.00 0.00 C ATOM 0 H ALA A 113 1.248 5.208 14.784 1.00 0.00 H new ATOM 0 HA ALA A 113 2.663 7.073 16.369 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.830 5.167 17.935 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.185 5.343 17.281 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.262 4.074 16.651 1.00 0.00 H new ATOM 1687 N MET A 114 4.459 4.999 14.639 1.00 0.00 N ATOM 1688 CA MET A 114 5.825 4.705 14.218 1.00 0.00 C ATOM 1689 C MET A 114 6.354 5.825 13.331 1.00 0.00 C ATOM 1690 O MET A 114 7.564 6.041 13.231 1.00 0.00 O ATOM 1691 CB MET A 114 5.882 3.378 13.457 1.00 0.00 C ATOM 1692 CG MET A 114 5.459 2.175 14.282 1.00 0.00 C ATOM 1693 SD MET A 114 5.468 0.643 13.329 1.00 0.00 S ATOM 1694 CE MET A 114 4.870 -0.516 14.555 1.00 0.00 C ATOM 0 H MET A 114 3.737 4.563 14.065 1.00 0.00 H new ATOM 0 HA MET A 114 6.447 4.626 15.110 1.00 0.00 H new ATOM 0 HB2 MET A 114 5.241 3.447 12.578 1.00 0.00 H new ATOM 0 HB3 MET A 114 6.899 3.220 13.098 1.00 0.00 H new ATOM 0 HG2 MET A 114 6.128 2.071 15.136 1.00 0.00 H new ATOM 0 HG3 MET A 114 4.459 2.345 14.680 1.00 0.00 H new ATOM 0 HE1 MET A 114 4.819 -1.513 14.118 1.00 0.00 H new ATOM 0 HE2 MET A 114 5.550 -0.527 15.407 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.877 -0.214 14.887 1.00 0.00 H new ATOM 1704 N GLY A 115 5.434 6.546 12.707 1.00 0.00 N ATOM 1705 CA GLY A 115 5.807 7.599 11.786 1.00 0.00 C ATOM 1706 C GLY A 115 5.388 7.276 10.367 1.00 0.00 C ATOM 1707 O GLY A 115 5.671 8.032 9.439 1.00 0.00 O ATOM 0 H GLY A 115 4.429 6.419 12.824 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.345 8.536 12.098 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.886 7.749 11.822 1.00 0.00 H new ATOM 1711 N VAL A 116 4.705 6.152 10.204 1.00 0.00 N ATOM 1712 CA VAL A 116 4.255 5.706 8.896 1.00 0.00 C ATOM 1713 C VAL A 116 2.938 6.383 8.529 1.00 0.00 C ATOM 1714 O VAL A 116 1.878 6.021 9.042 1.00 0.00 O ATOM 1715 CB VAL A 116 4.069 4.172 8.852 1.00 0.00 C ATOM 1716 CG1 VAL A 116 3.730 3.708 7.443 1.00 0.00 C ATOM 1717 CG2 VAL A 116 5.311 3.460 9.371 1.00 0.00 C ATOM 0 H VAL A 116 4.449 5.528 10.970 1.00 0.00 H new ATOM 0 HA VAL A 116 5.025 5.982 8.175 1.00 0.00 H new ATOM 0 HB VAL A 116 3.234 3.915 9.504 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.604 2.625 7.437 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.805 4.183 7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.538 3.983 6.765 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.156 2.382 9.330 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.168 3.727 8.753 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.499 3.761 10.402 1.00 0.00 H new ATOM 1727 N GLY A 117 3.015 7.379 7.660 1.00 0.00 N ATOM 1728 CA GLY A 117 1.827 8.085 7.229 1.00 0.00 C ATOM 1729 C GLY A 117 1.045 7.305 6.193 1.00 0.00 C ATOM 1730 O GLY A 117 1.395 7.304 5.013 1.00 0.00 O ATOM 0 H GLY A 117 3.884 7.712 7.243 1.00 0.00 H new ATOM 0 HA2 GLY A 117 1.190 8.281 8.091 1.00 0.00 H new ATOM 0 HA3 GLY A 117 2.111 9.053 6.815 1.00 0.00 H new ATOM 1734 N VAL A 118 -0.004 6.632 6.635 1.00 0.00 N ATOM 1735 CA VAL A 118 -0.830 5.824 5.747 1.00 0.00 C ATOM 1736 C VAL A 118 -1.884 6.688 5.063 1.00 0.00 C ATOM 1737 O VAL A 118 -2.621 7.421 5.725 1.00 0.00 O ATOM 1738 CB VAL A 118 -1.527 4.685 6.518 1.00 0.00 C ATOM 1739 CG1 VAL A 118 -2.224 3.730 5.562 1.00 0.00 C ATOM 1740 CG2 VAL A 118 -0.528 3.943 7.392 1.00 0.00 C ATOM 0 H VAL A 118 -0.307 6.628 7.609 1.00 0.00 H new ATOM 0 HA VAL A 118 -0.173 5.388 4.994 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.286 5.125 7.164 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.708 2.935 6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.974 4.274 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.491 3.295 4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.038 3.143 7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.257 3.518 6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.086 4.636 8.108 1.00 0.00 H new ATOM 1750 N GLU A 119 -1.944 6.608 3.742 1.00 0.00 N ATOM 1751 CA GLU A 119 -2.897 7.392 2.969 1.00 0.00 C ATOM 1752 C GLU A 119 -3.646 6.514 1.973 1.00 0.00 C ATOM 1753 O GLU A 119 -3.052 5.658 1.314 1.00 0.00 O ATOM 1754 CB GLU A 119 -2.186 8.529 2.232 1.00 0.00 C ATOM 1755 CG GLU A 119 -1.545 9.545 3.163 1.00 0.00 C ATOM 1756 CD GLU A 119 -0.917 10.703 2.421 1.00 0.00 C ATOM 1757 OE1 GLU A 119 -1.654 11.640 2.045 1.00 0.00 O ATOM 1758 OE2 GLU A 119 0.314 10.689 2.224 1.00 0.00 O ATOM 0 H GLU A 119 -1.342 6.006 3.181 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.620 7.819 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.418 8.107 1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.903 9.039 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -2.299 9.926 3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.784 9.050 3.766 1.00 0.00 H new ATOM 1765 N ALA A 120 -4.952 6.723 1.879 1.00 0.00 N ATOM 1766 CA ALA A 120 -5.778 5.999 0.926 1.00 0.00 C ATOM 1767 C ALA A 120 -5.884 6.783 -0.374 1.00 0.00 C ATOM 1768 O ALA A 120 -6.304 7.941 -0.379 1.00 0.00 O ATOM 1769 CB ALA A 120 -7.159 5.736 1.511 1.00 0.00 C ATOM 0 H ALA A 120 -5.463 7.392 2.455 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.310 5.037 0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.764 5.193 0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -7.062 5.141 2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.640 6.685 1.748 1.00 0.00 H new ATOM 1775 N MET A 121 -5.501 6.155 -1.471 1.00 0.00 N ATOM 1776 CA MET A 121 -5.451 6.828 -2.759 1.00 0.00 C ATOM 1777 C MET A 121 -5.897 5.866 -3.856 1.00 0.00 C ATOM 1778 O MET A 121 -5.891 4.657 -3.653 1.00 0.00 O ATOM 1779 CB MET A 121 -4.020 7.312 -3.022 1.00 0.00 C ATOM 1780 CG MET A 121 -3.890 8.322 -4.152 1.00 0.00 C ATOM 1781 SD MET A 121 -2.172 8.775 -4.476 1.00 0.00 S ATOM 1782 CE MET A 121 -1.653 9.358 -2.861 1.00 0.00 C ATOM 0 H MET A 121 -5.219 5.175 -1.497 1.00 0.00 H new ATOM 0 HA MET A 121 -6.121 7.688 -2.754 1.00 0.00 H new ATOM 0 HB2 MET A 121 -3.627 7.757 -2.108 1.00 0.00 H new ATOM 0 HB3 MET A 121 -3.395 6.449 -3.250 1.00 0.00 H new ATOM 0 HG2 MET A 121 -4.331 7.908 -5.059 1.00 0.00 H new ATOM 0 HG3 MET A 121 -4.458 9.218 -3.902 1.00 0.00 H new ATOM 0 HE1 MET A 121 -0.627 9.722 -2.918 1.00 0.00 H new ATOM 0 HE2 MET A 121 -2.308 10.167 -2.539 1.00 0.00 H new ATOM 0 HE3 MET A 121 -1.708 8.539 -2.144 1.00 0.00 H new ATOM 1792 N ASP A 122 -6.299 6.400 -5.004 1.00 0.00 N ATOM 1793 CA ASP A 122 -6.679 5.564 -6.143 1.00 0.00 C ATOM 1794 C ASP A 122 -5.484 4.745 -6.606 1.00 0.00 C ATOM 1795 O ASP A 122 -4.353 5.220 -6.549 1.00 0.00 O ATOM 1796 CB ASP A 122 -7.189 6.422 -7.306 1.00 0.00 C ATOM 1797 CG ASP A 122 -8.381 7.274 -6.927 1.00 0.00 C ATOM 1798 OD1 ASP A 122 -8.172 8.410 -6.456 1.00 0.00 O ATOM 1799 OD2 ASP A 122 -9.529 6.816 -7.107 1.00 0.00 O ATOM 0 H ASP A 122 -6.371 7.403 -5.173 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.480 4.898 -5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -6.383 7.067 -7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.462 5.773 -8.138 1.00 0.00 H new ATOM 1804 N THR A 123 -5.739 3.525 -7.067 1.00 0.00 N ATOM 1805 CA THR A 123 -4.680 2.610 -7.482 1.00 0.00 C ATOM 1806 C THR A 123 -3.730 3.263 -8.491 1.00 0.00 C ATOM 1807 O THR A 123 -2.508 3.172 -8.357 1.00 0.00 O ATOM 1808 CB THR A 123 -5.282 1.330 -8.097 1.00 0.00 C ATOM 1809 OG1 THR A 123 -6.345 0.853 -7.261 1.00 0.00 O ATOM 1810 CG2 THR A 123 -4.228 0.243 -8.243 1.00 0.00 C ATOM 0 H THR A 123 -6.680 3.143 -7.163 1.00 0.00 H new ATOM 0 HA THR A 123 -4.108 2.353 -6.590 1.00 0.00 H new ATOM 0 HB THR A 123 -5.665 1.573 -9.088 1.00 0.00 H new ATOM 0 HG1 THR A 123 -6.010 0.721 -6.350 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.681 -0.647 -8.679 1.00 0.00 H new ATOM 0 HG22 THR A 123 -3.427 0.597 -8.892 1.00 0.00 H new ATOM 0 HG23 THR A 123 -3.819 -0.001 -7.263 1.00 0.00 H new ATOM 1818 N GLN A 124 -4.305 3.939 -9.480 1.00 0.00 N ATOM 1819 CA GLN A 124 -3.527 4.614 -10.515 1.00 0.00 C ATOM 1820 C GLN A 124 -2.609 5.675 -9.908 1.00 0.00 C ATOM 1821 O GLN A 124 -1.409 5.709 -10.183 1.00 0.00 O ATOM 1822 CB GLN A 124 -4.468 5.268 -11.527 1.00 0.00 C ATOM 1823 CG GLN A 124 -3.756 5.896 -12.715 1.00 0.00 C ATOM 1824 CD GLN A 124 -4.685 6.735 -13.570 1.00 0.00 C ATOM 1825 OE1 GLN A 124 -5.636 7.334 -13.069 1.00 0.00 O ATOM 1826 NE2 GLN A 124 -4.428 6.775 -14.866 1.00 0.00 N ATOM 0 H GLN A 124 -5.315 4.035 -9.588 1.00 0.00 H new ATOM 0 HA GLN A 124 -2.909 3.869 -11.016 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -5.171 4.519 -11.892 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.054 6.035 -11.020 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -2.936 6.518 -12.356 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -3.315 5.110 -13.327 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -3.630 6.265 -15.244 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -5.028 7.316 -15.488 1.00 0.00 H new ATOM 1835 N ALA A 125 -3.184 6.529 -9.070 1.00 0.00 N ATOM 1836 CA ALA A 125 -2.446 7.637 -8.477 1.00 0.00 C ATOM 1837 C ALA A 125 -1.441 7.142 -7.441 1.00 0.00 C ATOM 1838 O ALA A 125 -0.358 7.710 -7.297 1.00 0.00 O ATOM 1839 CB ALA A 125 -3.410 8.637 -7.856 1.00 0.00 C ATOM 0 H ALA A 125 -4.162 6.475 -8.785 1.00 0.00 H new ATOM 0 HA ALA A 125 -1.886 8.134 -9.269 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.847 9.460 -7.416 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.078 9.024 -8.625 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -3.997 8.144 -7.081 1.00 0.00 H new ATOM 1845 N ALA A 126 -1.804 6.084 -6.727 1.00 0.00 N ATOM 1846 CA ALA A 126 -0.927 5.503 -5.719 1.00 0.00 C ATOM 1847 C ALA A 126 0.332 4.942 -6.363 1.00 0.00 C ATOM 1848 O ALA A 126 1.438 5.175 -5.879 1.00 0.00 O ATOM 1849 CB ALA A 126 -1.653 4.419 -4.937 1.00 0.00 C ATOM 0 H ALA A 126 -2.702 5.610 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.636 6.291 -5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -0.981 3.998 -4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.523 4.849 -4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.976 3.632 -5.619 1.00 0.00 H new ATOM 1855 N ALA A 127 0.157 4.217 -7.463 1.00 0.00 N ATOM 1856 CA ALA A 127 1.283 3.664 -8.202 1.00 0.00 C ATOM 1857 C ALA A 127 2.175 4.780 -8.734 1.00 0.00 C ATOM 1858 O ALA A 127 3.400 4.709 -8.637 1.00 0.00 O ATOM 1859 CB ALA A 127 0.791 2.785 -9.342 1.00 0.00 C ATOM 0 H ALA A 127 -0.756 3.999 -7.862 1.00 0.00 H new ATOM 0 HA ALA A 127 1.872 3.049 -7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 127 1.646 2.380 -9.884 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.195 1.966 -8.939 1.00 0.00 H new ATOM 0 HB3 ALA A 127 0.179 3.379 -10.021 1.00 0.00 H new ATOM 1865 N ARG A 128 1.548 5.815 -9.284 1.00 0.00 N ATOM 1866 CA ARG A 128 2.269 6.981 -9.782 1.00 0.00 C ATOM 1867 C ARG A 128 3.083 7.636 -8.666 1.00 0.00 C ATOM 1868 O ARG A 128 4.273 7.904 -8.832 1.00 0.00 O ATOM 1869 CB ARG A 128 1.282 7.985 -10.391 1.00 0.00 C ATOM 1870 CG ARG A 128 1.886 9.351 -10.677 1.00 0.00 C ATOM 1871 CD ARG A 128 0.883 10.269 -11.358 1.00 0.00 C ATOM 1872 NE ARG A 128 1.246 11.677 -11.209 1.00 0.00 N ATOM 1873 CZ ARG A 128 1.047 12.611 -12.137 1.00 0.00 C ATOM 1874 NH1 ARG A 128 0.561 12.289 -13.331 1.00 0.00 N ATOM 1875 NH2 ARG A 128 1.355 13.872 -11.867 1.00 0.00 N ATOM 0 H ARG A 128 0.536 5.870 -9.396 1.00 0.00 H new ATOM 0 HA ARG A 128 2.964 6.656 -10.556 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.887 7.573 -11.319 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.438 8.107 -9.712 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.222 9.804 -9.745 1.00 0.00 H new ATOM 0 HG3 ARG A 128 2.765 9.236 -11.311 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.823 10.019 -12.417 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.108 10.102 -10.935 1.00 0.00 H new ATOM 0 HE ARG A 128 1.682 11.964 -10.333 1.00 0.00 H new ATOM 0 HH11 ARG A 128 0.336 11.317 -13.545 1.00 0.00 H new ATOM 0 HH12 ARG A 128 0.413 13.013 -14.034 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.740 14.119 -10.955 1.00 0.00 H new ATOM 0 HH22 ARG A 128 1.207 14.595 -12.571 1.00 0.00 H new ATOM 1889 N THR A 129 2.441 7.876 -7.529 1.00 0.00 N ATOM 1890 CA THR A 129 3.108 8.482 -6.385 1.00 0.00 C ATOM 1891 C THR A 129 4.244 7.587 -5.885 1.00 0.00 C ATOM 1892 O THR A 129 5.330 8.069 -5.555 1.00 0.00 O ATOM 1893 CB THR A 129 2.109 8.744 -5.239 1.00 0.00 C ATOM 1894 OG1 THR A 129 0.985 9.482 -5.739 1.00 0.00 O ATOM 1895 CG2 THR A 129 2.765 9.526 -4.107 1.00 0.00 C ATOM 0 H THR A 129 1.456 7.659 -7.375 1.00 0.00 H new ATOM 0 HA THR A 129 3.524 9.435 -6.711 1.00 0.00 H new ATOM 0 HB THR A 129 1.779 7.782 -4.848 1.00 0.00 H new ATOM 0 HG1 THR A 129 0.412 8.887 -6.266 1.00 0.00 H new ATOM 0 HG21 THR A 129 2.038 9.696 -3.313 1.00 0.00 H new ATOM 0 HG22 THR A 129 3.607 8.957 -3.712 1.00 0.00 H new ATOM 0 HG23 THR A 129 3.120 10.485 -4.485 1.00 0.00 H new ATOM 1903 N TYR A 130 3.982 6.284 -5.844 1.00 0.00 N ATOM 1904 CA TYR A 130 4.988 5.296 -5.467 1.00 0.00 C ATOM 1905 C TYR A 130 6.237 5.424 -6.336 1.00 0.00 C ATOM 1906 O TYR A 130 7.350 5.524 -5.820 1.00 0.00 O ATOM 1907 CB TYR A 130 4.407 3.882 -5.583 1.00 0.00 C ATOM 1908 CG TYR A 130 5.438 2.777 -5.504 1.00 0.00 C ATOM 1909 CD1 TYR A 130 6.046 2.449 -4.300 1.00 0.00 C ATOM 1910 CD2 TYR A 130 5.794 2.056 -6.639 1.00 0.00 C ATOM 1911 CE1 TYR A 130 6.983 1.436 -4.230 1.00 0.00 C ATOM 1912 CE2 TYR A 130 6.730 1.043 -6.575 1.00 0.00 C ATOM 1913 CZ TYR A 130 7.320 0.736 -5.369 1.00 0.00 C ATOM 1914 OH TYR A 130 8.249 -0.276 -5.302 1.00 0.00 O ATOM 0 H TYR A 130 3.071 5.885 -6.070 1.00 0.00 H new ATOM 0 HA TYR A 130 5.275 5.481 -4.432 1.00 0.00 H new ATOM 0 HB2 TYR A 130 3.674 3.737 -4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 130 3.873 3.798 -6.529 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.783 2.993 -3.405 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.331 2.292 -7.586 1.00 0.00 H new ATOM 0 HE1 TYR A 130 7.450 1.193 -3.287 1.00 0.00 H new ATOM 0 HE2 TYR A 130 6.998 0.494 -7.466 1.00 0.00 H new ATOM 0 HH TYR A 130 8.676 -0.386 -6.177 1.00 0.00 H new ATOM 1924 N ASN A 131 6.040 5.430 -7.652 1.00 0.00 N ATOM 1925 CA ASN A 131 7.151 5.534 -8.597 1.00 0.00 C ATOM 1926 C ASN A 131 7.951 6.809 -8.364 1.00 0.00 C ATOM 1927 O ASN A 131 9.182 6.793 -8.397 1.00 0.00 O ATOM 1928 CB ASN A 131 6.646 5.497 -10.043 1.00 0.00 C ATOM 1929 CG ASN A 131 6.097 4.140 -10.442 1.00 0.00 C ATOM 1930 OD1 ASN A 131 6.527 3.105 -9.930 1.00 0.00 O ATOM 1931 ND2 ASN A 131 5.145 4.130 -11.362 1.00 0.00 N ATOM 0 H ASN A 131 5.121 5.364 -8.089 1.00 0.00 H new ATOM 0 HA ASN A 131 7.803 4.677 -8.430 1.00 0.00 H new ATOM 0 HB2 ASN A 131 5.868 6.250 -10.170 1.00 0.00 H new ATOM 0 HB3 ASN A 131 7.462 5.765 -10.714 1.00 0.00 H new ATOM 0 HD21 ASN A 131 4.742 3.245 -11.669 1.00 0.00 H new ATOM 0 HD22 ASN A 131 4.814 5.008 -11.763 1.00 0.00 H new ATOM 1938 N ILE A 132 7.247 7.908 -8.115 1.00 0.00 N ATOM 1939 CA ILE A 132 7.893 9.190 -7.860 1.00 0.00 C ATOM 1940 C ILE A 132 8.755 9.123 -6.601 1.00 0.00 C ATOM 1941 O ILE A 132 9.950 9.411 -6.643 1.00 0.00 O ATOM 1942 CB ILE A 132 6.858 10.329 -7.711 1.00 0.00 C ATOM 1943 CG1 ILE A 132 6.044 10.483 -9.000 1.00 0.00 C ATOM 1944 CG2 ILE A 132 7.550 11.641 -7.357 1.00 0.00 C ATOM 1945 CD1 ILE A 132 4.941 11.516 -8.905 1.00 0.00 C ATOM 0 H ILE A 132 6.228 7.936 -8.084 1.00 0.00 H new ATOM 0 HA ILE A 132 8.526 9.405 -8.721 1.00 0.00 H new ATOM 0 HB ILE A 132 6.177 10.071 -6.900 1.00 0.00 H new ATOM 0 HG12 ILE A 132 6.716 10.756 -9.813 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.606 9.519 -9.259 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.805 12.430 -7.257 1.00 0.00 H new ATOM 0 HG22 ILE A 132 8.087 11.527 -6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 132 8.254 11.905 -8.146 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.409 11.569 -9.855 1.00 0.00 H new ATOM 0 HD12 ILE A 132 4.245 11.234 -8.115 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.374 12.490 -8.677 1.00 0.00 H new ATOM 1957 N LEU A 133 8.150 8.714 -5.492 1.00 0.00 N ATOM 1958 CA LEU A 133 8.843 8.674 -4.208 1.00 0.00 C ATOM 1959 C LEU A 133 9.986 7.664 -4.230 1.00 0.00 C ATOM 1960 O LEU A 133 11.012 7.857 -3.574 1.00 0.00 O ATOM 1961 CB LEU A 133 7.859 8.342 -3.086 1.00 0.00 C ATOM 1962 CG LEU A 133 6.700 9.329 -2.933 1.00 0.00 C ATOM 1963 CD1 LEU A 133 5.782 8.905 -1.800 1.00 0.00 C ATOM 1964 CD2 LEU A 133 7.226 10.736 -2.697 1.00 0.00 C ATOM 0 H LEU A 133 7.179 8.405 -5.455 1.00 0.00 H new ATOM 0 HA LEU A 133 9.270 9.660 -4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 133 7.449 7.348 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 133 8.406 8.297 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 133 6.124 9.328 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.964 9.620 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 133 5.377 7.915 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 133 6.345 8.875 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.388 11.425 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.827 10.752 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.841 11.041 -3.544 1.00 0.00 H new ATOM 1976 N MET A 134 9.805 6.592 -4.990 1.00 0.00 N ATOM 1977 CA MET A 134 10.849 5.594 -5.171 1.00 0.00 C ATOM 1978 C MET A 134 12.047 6.204 -5.890 1.00 0.00 C ATOM 1979 O MET A 134 13.196 5.981 -5.508 1.00 0.00 O ATOM 1980 CB MET A 134 10.313 4.410 -5.974 1.00 0.00 C ATOM 1981 CG MET A 134 11.354 3.343 -6.264 1.00 0.00 C ATOM 1982 SD MET A 134 10.731 2.046 -7.347 1.00 0.00 S ATOM 1983 CE MET A 134 10.377 2.996 -8.826 1.00 0.00 C ATOM 0 H MET A 134 8.941 6.391 -5.493 1.00 0.00 H new ATOM 0 HA MET A 134 11.167 5.244 -4.189 1.00 0.00 H new ATOM 0 HB2 MET A 134 9.485 3.958 -5.428 1.00 0.00 H new ATOM 0 HB3 MET A 134 9.909 4.776 -6.918 1.00 0.00 H new ATOM 0 HG2 MET A 134 12.227 3.807 -6.723 1.00 0.00 H new ATOM 0 HG3 MET A 134 11.686 2.899 -5.325 1.00 0.00 H new ATOM 0 HE1 MET A 134 9.298 3.060 -8.968 1.00 0.00 H new ATOM 0 HE2 MET A 134 10.790 3.999 -8.721 1.00 0.00 H new ATOM 0 HE3 MET A 134 10.828 2.506 -9.689 1.00 0.00 H new ATOM 1993 N ALA A 135 11.764 6.991 -6.923 1.00 0.00 N ATOM 1994 CA ALA A 135 12.807 7.642 -7.706 1.00 0.00 C ATOM 1995 C ALA A 135 13.488 8.748 -6.907 1.00 0.00 C ATOM 1996 O ALA A 135 14.627 9.121 -7.189 1.00 0.00 O ATOM 1997 CB ALA A 135 12.227 8.200 -8.996 1.00 0.00 C ATOM 0 H ALA A 135 10.815 7.194 -7.238 1.00 0.00 H new ATOM 0 HA ALA A 135 13.561 6.894 -7.952 1.00 0.00 H new ATOM 0 HB1 ALA A 135 13.017 8.683 -9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.796 7.388 -9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.451 8.929 -8.761 1.00 0.00 H new ATOM 2003 N GLU A 136 12.786 9.277 -5.912 1.00 0.00 N ATOM 2004 CA GLU A 136 13.351 10.306 -5.051 1.00 0.00 C ATOM 2005 C GLU A 136 14.088 9.686 -3.870 1.00 0.00 C ATOM 2006 O GLU A 136 14.679 10.397 -3.055 1.00 0.00 O ATOM 2007 CB GLU A 136 12.266 11.254 -4.546 1.00 0.00 C ATOM 2008 CG GLU A 136 11.527 11.981 -5.656 1.00 0.00 C ATOM 2009 CD GLU A 136 10.774 13.188 -5.146 1.00 0.00 C ATOM 2010 OE1 GLU A 136 9.860 13.022 -4.314 1.00 0.00 O ATOM 2011 OE2 GLU A 136 11.123 14.316 -5.549 1.00 0.00 O ATOM 0 H GLU A 136 11.828 9.011 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 136 14.063 10.877 -5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 136 11.548 10.687 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 136 12.719 11.989 -3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 136 12.239 12.295 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 136 10.828 11.295 -6.135 1.00 0.00 H new ATOM 2018 N GLY A 137 14.037 8.363 -3.779 1.00 0.00 N ATOM 2019 CA GLY A 137 14.766 7.650 -2.749 1.00 0.00 C ATOM 2020 C GLY A 137 14.234 7.908 -1.352 1.00 0.00 C ATOM 2021 O GLY A 137 15.009 8.128 -0.419 1.00 0.00 O ATOM 0 H GLY A 137 13.498 7.767 -4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 137 14.722 6.581 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 137 15.816 7.939 -2.790 1.00 0.00 H new ATOM 2025 N ARG A 138 12.917 7.887 -1.199 1.00 0.00 N ATOM 2026 CA ARG A 138 12.311 8.067 0.110 1.00 0.00 C ATOM 2027 C ARG A 138 11.531 6.811 0.498 1.00 0.00 C ATOM 2028 O ARG A 138 11.143 6.027 -0.368 1.00 0.00 O ATOM 2029 CB ARG A 138 11.415 9.313 0.125 1.00 0.00 C ATOM 2030 CG ARG A 138 11.044 9.761 1.529 1.00 0.00 C ATOM 2031 CD ARG A 138 10.694 11.241 1.599 1.00 0.00 C ATOM 2032 NE ARG A 138 9.409 11.553 0.979 1.00 0.00 N ATOM 2033 CZ ARG A 138 8.271 11.685 1.663 1.00 0.00 C ATOM 2034 NH1 ARG A 138 8.249 11.481 2.978 1.00 0.00 N ATOM 2035 NH2 ARG A 138 7.159 12.037 1.031 1.00 0.00 N ATOM 0 H ARG A 138 12.253 7.748 -1.960 1.00 0.00 H new ATOM 0 HA ARG A 138 13.097 8.222 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 138 11.927 10.128 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.504 9.106 -0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.196 9.174 1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.876 9.556 2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.673 11.555 2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 138 11.478 11.818 1.108 1.00 0.00 H new ATOM 0 HE ARG A 138 9.380 11.677 -0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 138 9.105 11.222 3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.376 11.583 3.495 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.176 12.206 0.025 1.00 0.00 H new ATOM 0 HH22 ARG A 138 6.287 12.139 1.551 1.00 0.00 H new ATOM 2049 N ARG A 139 11.316 6.614 1.797 1.00 0.00 N ATOM 2050 CA ARG A 139 10.705 5.382 2.292 1.00 0.00 C ATOM 2051 C ARG A 139 9.211 5.343 1.972 1.00 0.00 C ATOM 2052 O ARG A 139 8.394 5.965 2.660 1.00 0.00 O ATOM 2053 CB ARG A 139 10.915 5.217 3.806 1.00 0.00 C ATOM 2054 CG ARG A 139 12.365 5.340 4.262 1.00 0.00 C ATOM 2055 CD ARG A 139 12.717 6.781 4.593 1.00 0.00 C ATOM 2056 NE ARG A 139 14.149 6.979 4.805 1.00 0.00 N ATOM 2057 CZ ARG A 139 14.784 8.124 4.544 1.00 0.00 C ATOM 2058 NH1 ARG A 139 14.103 9.208 4.190 1.00 0.00 N ATOM 2059 NH2 ARG A 139 16.097 8.197 4.689 1.00 0.00 N ATOM 0 H ARG A 139 11.555 7.289 2.524 1.00 0.00 H new ATOM 0 HA ARG A 139 11.198 4.554 1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 139 10.319 5.967 4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 139 10.534 4.242 4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 139 12.528 4.713 5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 139 13.028 4.972 3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 139 12.381 7.428 3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 139 12.176 7.086 5.489 1.00 0.00 H new ATOM 0 HE ARG A 139 14.694 6.199 5.173 1.00 0.00 H new ATOM 0 HH11 ARG A 139 13.086 9.170 4.116 1.00 0.00 H new ATOM 0 HH12 ARG A 139 14.597 10.078 3.993 1.00 0.00 H new ATOM 0 HH21 ARG A 139 16.622 7.380 5.000 1.00 0.00 H new ATOM 0 HH22 ARG A 139 16.584 9.071 4.490 1.00 0.00 H new ATOM 2073 N VAL A 140 8.863 4.610 0.924 1.00 0.00 N ATOM 2074 CA VAL A 140 7.477 4.482 0.502 1.00 0.00 C ATOM 2075 C VAL A 140 7.117 3.017 0.265 1.00 0.00 C ATOM 2076 O VAL A 140 7.892 2.262 -0.322 1.00 0.00 O ATOM 2077 CB VAL A 140 7.201 5.307 -0.783 1.00 0.00 C ATOM 2078 CG1 VAL A 140 8.122 4.882 -1.918 1.00 0.00 C ATOM 2079 CG2 VAL A 140 5.743 5.187 -1.203 1.00 0.00 C ATOM 0 H VAL A 140 9.527 4.092 0.348 1.00 0.00 H new ATOM 0 HA VAL A 140 6.853 4.875 1.304 1.00 0.00 H new ATOM 0 HB VAL A 140 7.407 6.353 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.905 5.477 -2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 140 9.160 5.037 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 140 7.962 3.827 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.575 5.774 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.506 4.142 -1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 140 5.102 5.559 -0.404 1.00 0.00 H new ATOM 2089 N VAL A 141 5.958 2.618 0.763 1.00 0.00 N ATOM 2090 CA VAL A 141 5.428 1.285 0.522 1.00 0.00 C ATOM 2091 C VAL A 141 3.998 1.413 0.012 1.00 0.00 C ATOM 2092 O VAL A 141 3.260 2.294 0.457 1.00 0.00 O ATOM 2093 CB VAL A 141 5.454 0.413 1.803 1.00 0.00 C ATOM 2094 CG1 VAL A 141 4.888 -0.974 1.534 1.00 0.00 C ATOM 2095 CG2 VAL A 141 6.869 0.306 2.351 1.00 0.00 C ATOM 0 H VAL A 141 5.360 3.206 1.343 1.00 0.00 H new ATOM 0 HA VAL A 141 6.056 0.791 -0.219 1.00 0.00 H new ATOM 0 HB VAL A 141 4.826 0.899 2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 141 4.919 -1.564 2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 141 3.856 -0.886 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 141 5.483 -1.467 0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.865 -0.310 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 141 7.516 -0.150 1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 141 7.241 1.301 2.595 1.00 0.00 H new ATOM 2105 N VAL A 142 3.612 0.565 -0.926 1.00 0.00 N ATOM 2106 CA VAL A 142 2.297 0.677 -1.533 1.00 0.00 C ATOM 2107 C VAL A 142 1.555 -0.660 -1.523 1.00 0.00 C ATOM 2108 O VAL A 142 2.136 -1.716 -1.785 1.00 0.00 O ATOM 2109 CB VAL A 142 2.396 1.224 -2.978 1.00 0.00 C ATOM 2110 CG1 VAL A 142 3.163 0.266 -3.878 1.00 0.00 C ATOM 2111 CG2 VAL A 142 1.016 1.511 -3.548 1.00 0.00 C ATOM 0 H VAL A 142 4.184 -0.201 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 142 1.725 1.384 -0.932 1.00 0.00 H new ATOM 0 HB VAL A 142 2.949 2.163 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.216 0.677 -4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.172 0.130 -3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.651 -0.696 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.114 1.894 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.430 0.592 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.513 2.253 -2.928 1.00 0.00 H new ATOM 2121 N ALA A 143 0.275 -0.599 -1.186 1.00 0.00 N ATOM 2122 CA ALA A 143 -0.601 -1.757 -1.239 1.00 0.00 C ATOM 2123 C ALA A 143 -1.714 -1.498 -2.241 1.00 0.00 C ATOM 2124 O ALA A 143 -2.543 -0.613 -2.042 1.00 0.00 O ATOM 2125 CB ALA A 143 -1.175 -2.059 0.138 1.00 0.00 C ATOM 0 H ALA A 143 -0.184 0.255 -0.868 1.00 0.00 H new ATOM 0 HA ALA A 143 -0.028 -2.627 -1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -1.828 -2.929 0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -0.362 -2.264 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -1.747 -1.200 0.490 1.00 0.00 H new ATOM 2131 N LEU A 144 -1.725 -2.253 -3.325 1.00 0.00 N ATOM 2132 CA LEU A 144 -2.644 -1.989 -4.423 1.00 0.00 C ATOM 2133 C LEU A 144 -3.852 -2.916 -4.398 1.00 0.00 C ATOM 2134 O LEU A 144 -3.713 -4.141 -4.320 1.00 0.00 O ATOM 2135 CB LEU A 144 -1.915 -2.114 -5.763 1.00 0.00 C ATOM 2136 CG LEU A 144 -0.791 -1.099 -5.991 1.00 0.00 C ATOM 2137 CD1 LEU A 144 -0.082 -1.372 -7.306 1.00 0.00 C ATOM 2138 CD2 LEU A 144 -1.342 0.319 -5.971 1.00 0.00 C ATOM 0 H LEU A 144 -1.110 -3.053 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.011 -0.970 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -1.497 -3.118 -5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -2.644 -2.011 -6.566 1.00 0.00 H new ATOM 0 HG LEU A 144 -0.068 -1.202 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.713 -0.640 -7.449 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.346 -2.374 -7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.796 -1.298 -8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.530 1.027 -6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -2.086 0.431 -6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -1.806 0.516 -5.004 1.00 0.00 H new ATOM 2150 N LEU A 145 -5.035 -2.310 -4.454 1.00 0.00 N ATOM 2151 CA LEU A 145 -6.293 -3.032 -4.592 1.00 0.00 C ATOM 2152 C LEU A 145 -6.971 -2.646 -5.904 1.00 0.00 C ATOM 2153 O LEU A 145 -7.666 -1.628 -5.982 1.00 0.00 O ATOM 2154 CB LEU A 145 -7.229 -2.733 -3.416 1.00 0.00 C ATOM 2155 CG LEU A 145 -7.009 -3.591 -2.171 1.00 0.00 C ATOM 2156 CD1 LEU A 145 -7.836 -3.070 -1.009 1.00 0.00 C ATOM 2157 CD2 LEU A 145 -7.374 -5.036 -2.464 1.00 0.00 C ATOM 0 H LEU A 145 -5.147 -1.297 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 145 -6.076 -4.100 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -7.115 -1.685 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -8.258 -2.864 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 145 -5.956 -3.538 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.665 -3.694 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.544 -2.044 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -8.893 -3.097 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -7.214 -5.640 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.422 -5.094 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -6.748 -5.412 -3.273 1.00 0.00 H new ATOM 2169 N PRO A 146 -6.743 -3.435 -6.960 1.00 0.00 N ATOM 2170 CA PRO A 146 -7.280 -3.169 -8.286 1.00 0.00 C ATOM 2171 C PRO A 146 -8.627 -3.847 -8.529 1.00 0.00 C ATOM 2172 O PRO A 146 -9.351 -4.184 -7.589 1.00 0.00 O ATOM 2173 CB PRO A 146 -6.208 -3.780 -9.182 1.00 0.00 C ATOM 2174 CG PRO A 146 -5.708 -4.964 -8.417 1.00 0.00 C ATOM 2175 CD PRO A 146 -5.925 -4.663 -6.951 1.00 0.00 C ATOM 0 HA PRO A 146 -7.476 -2.110 -8.456 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -6.619 -4.076 -10.147 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -5.406 -3.069 -9.382 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -6.244 -5.867 -8.709 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -4.652 -5.139 -8.623 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.438 -5.482 -6.446 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -4.980 -4.510 -6.430 1.00 0.00 H new