USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 590 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 132 MET CE :methyl -154:sc= -0.18 (180deg=-0.838) USER MOD Set 1.2: A 138 LYS NZ :NH3+ 169:sc= 2.36 (180deg=2.07) USER MOD Set 2.1: A 96 HIS : no HD1:sc= -0.267 X(o=0.016,f=0.0057) USER MOD Set 2.2: A 124 SER OG : rot 169:sc= 0.283 USER MOD Single : A 98 HIS : no HD1:sc= -0.275 K(o=-0.28,f=-0.94) USER MOD Single : A 105 SER OG : rot 90:sc= -0.503 USER MOD Single : A 109 THR OG1 : rot 180:sc=-0.00213 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot -67:sc= 0.0476 USER MOD Single : A 136 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.15) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot 73:sc= 1.06 USER MOD Single : A 147 ASN : amide:sc= 0.61 K(o=0.61,f=0) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 ASN : amide:sc= -0.0884 K(o=-0.088,f=-2) USER MOD Single : A 156 GLN : amide:sc= -0.631 K(o=-0.63,f=0) USER MOD Single : A 157 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 158 MET CE :methyl -159:sc= -1.53 (180deg=-2.49!) USER MOD Single : A 161 GLN : amide:sc= 0.212 K(o=0.21,f=-2.5!) USER MOD Single : A 167 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 170 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 171 ASN : amide:sc= -0.735 X(o=-0.74,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 1.569 13.480 -6.069 1.00 0.00 N ATOM 179 CA HIS A 96 0.988 12.224 -6.530 1.00 0.00 C ATOM 180 C HIS A 96 -0.259 11.888 -5.707 1.00 0.00 C ATOM 181 O HIS A 96 -0.509 12.500 -4.664 1.00 0.00 O ATOM 182 CB HIS A 96 2.038 11.111 -6.454 1.00 0.00 C ATOM 183 CG HIS A 96 3.245 11.290 -7.349 1.00 0.00 C ATOM 184 ND1 HIS A 96 4.101 10.246 -7.675 1.00 0.00 N ATOM 185 CD2 HIS A 96 3.629 12.399 -8.054 1.00 0.00 C ATOM 186 CE1 HIS A 96 4.978 10.735 -8.562 1.00 0.00 C ATOM 187 NE2 HIS A 96 4.742 12.034 -8.783 1.00 0.00 N ATOM 0 HA HIS A 96 0.678 12.322 -7.570 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.381 11.030 -5.423 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.558 10.165 -6.706 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.154 13.369 -8.042 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.764 10.162 -9.032 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.290 12.648 -9.386 1.00 0.00 H new ATOM 195 N PHE A 97 -1.028 10.897 -6.163 1.00 0.00 N ATOM 196 CA PHE A 97 -2.254 10.450 -5.516 1.00 0.00 C ATOM 197 C PHE A 97 -2.032 9.023 -5.019 1.00 0.00 C ATOM 198 O PHE A 97 -2.123 8.076 -5.803 1.00 0.00 O ATOM 199 CB PHE A 97 -3.425 10.587 -6.509 1.00 0.00 C ATOM 200 CG PHE A 97 -3.652 12.010 -6.990 1.00 0.00 C ATOM 201 CD1 PHE A 97 -4.485 12.882 -6.262 1.00 0.00 C ATOM 202 CD2 PHE A 97 -2.992 12.477 -8.143 1.00 0.00 C ATOM 203 CE1 PHE A 97 -4.621 14.223 -6.661 1.00 0.00 C ATOM 204 CE2 PHE A 97 -3.165 13.804 -8.570 1.00 0.00 C ATOM 205 CZ PHE A 97 -3.980 14.676 -7.826 1.00 0.00 C ATOM 0 H PHE A 97 -0.807 10.375 -7.011 1.00 0.00 H new ATOM 0 HA PHE A 97 -2.512 11.061 -4.651 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.236 9.947 -7.371 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.337 10.223 -6.035 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.020 12.520 -5.396 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.350 11.812 -8.701 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.218 14.904 -6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.674 14.153 -9.466 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.113 15.697 -8.151 1.00 0.00 H new ATOM 215 N HIS A 98 -1.755 8.873 -3.720 1.00 0.00 N ATOM 216 CA HIS A 98 -1.503 7.592 -3.071 1.00 0.00 C ATOM 217 C HIS A 98 -2.811 6.995 -2.542 1.00 0.00 C ATOM 218 O HIS A 98 -3.565 7.667 -1.826 1.00 0.00 O ATOM 219 CB HIS A 98 -0.497 7.682 -1.907 1.00 0.00 C ATOM 220 CG HIS A 98 0.730 8.561 -2.037 1.00 0.00 C ATOM 221 ND1 HIS A 98 1.053 9.436 -3.080 1.00 0.00 N ATOM 222 CD2 HIS A 98 1.624 8.752 -1.024 1.00 0.00 C ATOM 223 CE1 HIS A 98 2.132 10.122 -2.674 1.00 0.00 C ATOM 224 NE2 HIS A 98 2.501 9.725 -1.446 1.00 0.00 N ATOM 0 H HIS A 98 -1.699 9.663 -3.078 1.00 0.00 H new ATOM 0 HA HIS A 98 -1.066 6.952 -3.837 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.046 8.019 -1.028 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -0.151 6.670 -1.698 1.00 0.00 H new ATOM 0 HD2 HIS A 98 1.640 8.239 -0.074 1.00 0.00 H new ATOM 0 HE1 HIS A 98 2.632 10.885 -3.252 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.296 10.083 -0.916 1.00 0.00 H new ATOM 232 N VAL A 99 -3.038 5.723 -2.847 1.00 0.00 N ATOM 233 CA VAL A 99 -4.182 4.907 -2.488 1.00 0.00 C ATOM 234 C VAL A 99 -3.761 3.865 -1.446 1.00 0.00 C ATOM 235 O VAL A 99 -2.636 3.356 -1.462 1.00 0.00 O ATOM 236 CB VAL A 99 -4.694 4.208 -3.773 1.00 0.00 C ATOM 237 CG1 VAL A 99 -5.803 3.188 -3.510 1.00 0.00 C ATOM 238 CG2 VAL A 99 -5.238 5.211 -4.797 1.00 0.00 C ATOM 0 H VAL A 99 -2.364 5.194 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.974 5.521 -2.059 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.816 3.694 -4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.114 2.737 -4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.432 2.411 -2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.655 3.688 -3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.585 4.676 -5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.068 5.765 -4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.448 5.906 -5.081 1.00 0.00 H new ATOM 248 N PHE A 100 -4.655 3.618 -0.491 1.00 0.00 N ATOM 249 CA PHE A 100 -4.546 2.638 0.578 1.00 0.00 C ATOM 250 C PHE A 100 -5.125 1.352 0.016 1.00 0.00 C ATOM 251 O PHE A 100 -6.226 1.384 -0.535 1.00 0.00 O ATOM 252 CB PHE A 100 -5.374 3.068 1.811 1.00 0.00 C ATOM 253 CG PHE A 100 -5.767 1.922 2.738 1.00 0.00 C ATOM 254 CD1 PHE A 100 -4.912 1.425 3.737 1.00 0.00 C ATOM 255 CD2 PHE A 100 -7.004 1.284 2.521 1.00 0.00 C ATOM 256 CE1 PHE A 100 -5.265 0.262 4.452 1.00 0.00 C ATOM 257 CE2 PHE A 100 -7.370 0.146 3.252 1.00 0.00 C ATOM 258 CZ PHE A 100 -6.490 -0.386 4.205 1.00 0.00 C ATOM 0 H PHE A 100 -5.533 4.135 -0.444 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.510 2.528 0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.801 3.800 2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.280 3.569 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.985 1.934 3.957 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.682 1.679 1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.590 -0.135 5.196 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.329 -0.321 3.082 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.750 -1.285 4.745 1.00 0.00 H new ATOM 268 N VAL A 101 -4.410 0.243 0.164 1.00 0.00 N ATOM 269 CA VAL A 101 -4.841 -1.068 -0.282 1.00 0.00 C ATOM 270 C VAL A 101 -4.632 -1.990 0.923 1.00 0.00 C ATOM 271 O VAL A 101 -3.623 -1.881 1.633 1.00 0.00 O ATOM 272 CB VAL A 101 -4.096 -1.521 -1.557 1.00 0.00 C ATOM 273 CG1 VAL A 101 -4.753 -2.784 -2.136 1.00 0.00 C ATOM 274 CG2 VAL A 101 -4.085 -0.443 -2.655 1.00 0.00 C ATOM 0 H VAL A 101 -3.492 0.235 0.609 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.887 -1.078 -0.589 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.067 -1.717 -1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.219 -3.093 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.715 -3.585 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.792 -2.571 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.548 -0.817 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.110 -0.200 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.590 0.453 -2.280 1.00 0.00 H new ATOM 284 N GLY A 102 -5.570 -2.900 1.173 1.00 0.00 N ATOM 285 CA GLY A 102 -5.515 -3.845 2.279 1.00 0.00 C ATOM 286 C GLY A 102 -6.181 -5.153 1.879 1.00 0.00 C ATOM 287 O GLY A 102 -6.652 -5.295 0.751 1.00 0.00 O ATOM 0 H GLY A 102 -6.407 -3.001 0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.478 -4.027 2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.014 -3.425 3.152 1.00 0.00 H new ATOM 291 N ASP A 103 -6.235 -6.093 2.824 1.00 0.00 N ATOM 292 CA ASP A 103 -6.819 -7.440 2.692 1.00 0.00 C ATOM 293 C ASP A 103 -6.033 -8.348 1.749 1.00 0.00 C ATOM 294 O ASP A 103 -6.494 -9.421 1.364 1.00 0.00 O ATOM 295 CB ASP A 103 -8.341 -7.411 2.459 1.00 0.00 C ATOM 296 CG ASP A 103 -9.096 -6.779 3.613 1.00 0.00 C ATOM 297 OD1 ASP A 103 -8.536 -6.684 4.734 1.00 0.00 O ATOM 298 OD2 ASP A 103 -10.218 -6.286 3.384 1.00 0.00 O ATOM 0 H ASP A 103 -5.853 -5.932 3.756 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.708 -7.923 3.663 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.554 -6.858 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.701 -8.429 2.308 1.00 0.00 H new ATOM 303 N LEU A 104 -4.811 -7.941 1.405 1.00 0.00 N ATOM 304 CA LEU A 104 -3.914 -8.692 0.545 1.00 0.00 C ATOM 305 C LEU A 104 -3.561 -9.992 1.270 1.00 0.00 C ATOM 306 O LEU A 104 -3.360 -9.968 2.494 1.00 0.00 O ATOM 307 CB LEU A 104 -2.609 -7.911 0.308 1.00 0.00 C ATOM 308 CG LEU A 104 -2.773 -6.437 -0.108 1.00 0.00 C ATOM 309 CD1 LEU A 104 -1.411 -5.743 -0.070 1.00 0.00 C ATOM 310 CD2 LEU A 104 -3.367 -6.319 -1.510 1.00 0.00 C ATOM 0 H LEU A 104 -4.414 -7.059 1.727 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.398 -8.876 -0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.016 -7.947 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.036 -8.425 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.457 -5.958 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.526 -4.700 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.006 -5.792 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.729 -6.241 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.470 -5.267 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.709 -6.810 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.347 -6.796 -1.531 1.00 0.00 H new ATOM 322 N SER A 105 -3.488 -11.117 0.560 1.00 0.00 N ATOM 323 CA SER A 105 -3.101 -12.377 1.188 1.00 0.00 C ATOM 324 C SER A 105 -1.615 -12.233 1.585 1.00 0.00 C ATOM 325 O SER A 105 -0.867 -11.534 0.885 1.00 0.00 O ATOM 326 CB SER A 105 -3.394 -13.552 0.238 1.00 0.00 C ATOM 327 OG SER A 105 -2.886 -14.760 0.761 1.00 0.00 O ATOM 0 H SER A 105 -3.689 -11.181 -0.438 1.00 0.00 H new ATOM 0 HA SER A 105 -3.677 -12.596 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.469 -13.641 0.084 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.948 -13.357 -0.737 1.00 0.00 H new ATOM 0 HG SER A 105 -3.570 -15.189 1.317 1.00 0.00 H new ATOM 333 N PRO A 106 -1.121 -12.894 2.651 1.00 0.00 N ATOM 334 CA PRO A 106 0.277 -12.807 3.090 1.00 0.00 C ATOM 335 C PRO A 106 1.316 -13.284 2.052 1.00 0.00 C ATOM 336 O PRO A 106 2.522 -13.226 2.317 1.00 0.00 O ATOM 337 CB PRO A 106 0.332 -13.573 4.413 1.00 0.00 C ATOM 338 CG PRO A 106 -0.807 -14.576 4.285 1.00 0.00 C ATOM 339 CD PRO A 106 -1.866 -13.744 3.574 1.00 0.00 C ATOM 0 HA PRO A 106 0.569 -11.765 3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.292 -14.070 4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.191 -12.911 5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.518 -15.453 3.706 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.150 -14.933 5.256 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.575 -14.378 3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.441 -13.148 4.283 1.00 0.00 H new ATOM 347 N GLU A 107 0.887 -13.803 0.901 1.00 0.00 N ATOM 348 CA GLU A 107 1.750 -14.262 -0.185 1.00 0.00 C ATOM 349 C GLU A 107 1.859 -13.216 -1.309 1.00 0.00 C ATOM 350 O GLU A 107 2.770 -13.314 -2.125 1.00 0.00 O ATOM 351 CB GLU A 107 1.209 -15.577 -0.754 1.00 0.00 C ATOM 352 CG GLU A 107 -0.080 -15.397 -1.573 1.00 0.00 C ATOM 353 CD GLU A 107 -0.537 -16.744 -2.099 1.00 0.00 C ATOM 354 OE1 GLU A 107 0.102 -17.260 -3.043 1.00 0.00 O ATOM 355 OE2 GLU A 107 -1.472 -17.328 -1.512 1.00 0.00 O ATOM 0 H GLU A 107 -0.105 -13.919 0.693 1.00 0.00 H new ATOM 0 HA GLU A 107 2.748 -14.416 0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.972 -16.034 -1.385 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.017 -16.269 0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.859 -14.954 -0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.096 -14.712 -2.402 1.00 0.00 H new ATOM 362 N ILE A 108 0.948 -12.235 -1.365 1.00 0.00 N ATOM 363 CA ILE A 108 0.907 -11.183 -2.383 1.00 0.00 C ATOM 364 C ILE A 108 2.181 -10.354 -2.309 1.00 0.00 C ATOM 365 O ILE A 108 2.631 -10.021 -1.205 1.00 0.00 O ATOM 366 CB ILE A 108 -0.367 -10.324 -2.169 1.00 0.00 C ATOM 367 CG1 ILE A 108 -1.651 -11.145 -2.412 1.00 0.00 C ATOM 368 CG2 ILE A 108 -0.455 -9.048 -3.020 1.00 0.00 C ATOM 369 CD1 ILE A 108 -1.769 -11.784 -3.802 1.00 0.00 C ATOM 0 H ILE A 108 0.197 -12.151 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 108 0.857 -11.614 -3.383 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.284 -10.011 -1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.705 -11.934 -1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.512 -10.496 -2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.383 -8.523 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.393 -8.401 -2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.438 -9.314 -4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.705 -12.338 -3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.753 -11.004 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.933 -12.465 -3.962 1.00 0.00 H new ATOM 381 N THR A 109 2.769 -10.025 -3.456 1.00 0.00 N ATOM 382 CA THR A 109 3.981 -9.218 -3.527 1.00 0.00 C ATOM 383 C THR A 109 3.619 -7.835 -4.076 1.00 0.00 C ATOM 384 O THR A 109 2.479 -7.557 -4.443 1.00 0.00 O ATOM 385 CB THR A 109 5.083 -9.958 -4.313 1.00 0.00 C ATOM 386 OG1 THR A 109 6.310 -9.268 -4.144 1.00 0.00 O ATOM 387 CG2 THR A 109 4.790 -10.092 -5.809 1.00 0.00 C ATOM 0 H THR A 109 2.414 -10.313 -4.368 1.00 0.00 H new ATOM 0 HA THR A 109 4.408 -9.061 -2.537 1.00 0.00 H new ATOM 0 HB THR A 109 5.130 -10.970 -3.911 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.017 -9.732 -4.639 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.609 -10.623 -6.294 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.863 -10.648 -5.950 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.689 -9.100 -6.250 1.00 0.00 H new ATOM 395 N THR A 110 4.581 -6.919 -4.108 1.00 0.00 N ATOM 396 CA THR A 110 4.349 -5.576 -4.619 1.00 0.00 C ATOM 397 C THR A 110 4.014 -5.617 -6.115 1.00 0.00 C ATOM 398 O THR A 110 3.317 -4.734 -6.615 1.00 0.00 O ATOM 399 CB THR A 110 5.590 -4.739 -4.310 1.00 0.00 C ATOM 400 OG1 THR A 110 5.730 -4.607 -2.909 1.00 0.00 O ATOM 401 CG2 THR A 110 5.508 -3.349 -4.920 1.00 0.00 C ATOM 0 H THR A 110 5.534 -7.085 -3.784 1.00 0.00 H new ATOM 0 HA THR A 110 3.487 -5.116 -4.136 1.00 0.00 H new ATOM 0 HB THR A 110 6.448 -5.254 -4.743 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.526 -4.072 -2.709 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.411 -2.790 -4.675 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.415 -3.432 -6.003 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.639 -2.827 -4.520 1.00 0.00 H new ATOM 409 N GLU A 111 4.501 -6.629 -6.829 1.00 0.00 N ATOM 410 CA GLU A 111 4.249 -6.783 -8.255 1.00 0.00 C ATOM 411 C GLU A 111 2.800 -7.197 -8.483 1.00 0.00 C ATOM 412 O GLU A 111 2.223 -6.784 -9.481 1.00 0.00 O ATOM 413 CB GLU A 111 5.246 -7.757 -8.883 1.00 0.00 C ATOM 414 CG GLU A 111 6.669 -7.375 -8.449 1.00 0.00 C ATOM 415 CD GLU A 111 7.752 -7.913 -9.368 1.00 0.00 C ATOM 416 OE1 GLU A 111 7.524 -8.902 -10.094 1.00 0.00 O ATOM 417 OE2 GLU A 111 8.851 -7.310 -9.357 1.00 0.00 O ATOM 0 H GLU A 111 5.083 -7.366 -6.431 1.00 0.00 H new ATOM 0 HA GLU A 111 4.399 -5.826 -8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.020 -8.777 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.165 -7.729 -9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.747 -6.289 -8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.844 -7.747 -7.439 1.00 0.00 H new ATOM 424 N ASP A 112 2.202 -7.969 -7.563 1.00 0.00 N ATOM 425 CA ASP A 112 0.804 -8.381 -7.670 1.00 0.00 C ATOM 426 C ASP A 112 -0.022 -7.102 -7.633 1.00 0.00 C ATOM 427 O ASP A 112 -0.906 -6.895 -8.457 1.00 0.00 O ATOM 428 CB ASP A 112 0.373 -9.260 -6.495 1.00 0.00 C ATOM 429 CG ASP A 112 0.572 -10.743 -6.718 1.00 0.00 C ATOM 430 OD1 ASP A 112 -0.107 -11.326 -7.586 1.00 0.00 O ATOM 431 OD2 ASP A 112 1.405 -11.348 -6.008 1.00 0.00 O ATOM 0 H ASP A 112 2.675 -8.321 -6.731 1.00 0.00 H new ATOM 0 HA ASP A 112 0.664 -8.958 -8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 112 0.932 -8.960 -5.609 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.680 -9.075 -6.286 1.00 0.00 H new ATOM 436 N ILE A 113 0.289 -6.222 -6.671 1.00 0.00 N ATOM 437 CA ILE A 113 -0.398 -4.952 -6.529 1.00 0.00 C ATOM 438 C ILE A 113 -0.187 -4.167 -7.832 1.00 0.00 C ATOM 439 O ILE A 113 -1.150 -3.669 -8.409 1.00 0.00 O ATOM 440 CB ILE A 113 0.090 -4.172 -5.287 1.00 0.00 C ATOM 441 CG1 ILE A 113 -0.020 -4.978 -3.976 1.00 0.00 C ATOM 442 CG2 ILE A 113 -0.725 -2.881 -5.130 1.00 0.00 C ATOM 443 CD1 ILE A 113 0.310 -4.120 -2.747 1.00 0.00 C ATOM 0 H ILE A 113 1.021 -6.379 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.463 -5.113 -6.365 1.00 0.00 H new ATOM 0 HB ILE A 113 1.145 -3.958 -5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.029 -5.378 -3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.658 -5.831 -4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.377 -2.335 -4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.598 -2.261 -6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.779 -3.129 -5.008 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.220 -4.726 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.329 -3.742 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.385 -3.282 -2.691 1.00 0.00 H new ATOM 455 N LYS A 114 1.049 -4.006 -8.318 1.00 0.00 N ATOM 456 CA LYS A 114 1.270 -3.273 -9.559 1.00 0.00 C ATOM 457 C LYS A 114 0.425 -3.819 -10.701 1.00 0.00 C ATOM 458 O LYS A 114 -0.228 -3.022 -11.363 1.00 0.00 O ATOM 459 CB LYS A 114 2.759 -3.217 -9.906 1.00 0.00 C ATOM 460 CG LYS A 114 3.346 -1.916 -9.345 1.00 0.00 C ATOM 461 CD LYS A 114 4.853 -1.843 -9.578 1.00 0.00 C ATOM 462 CE LYS A 114 5.550 -2.341 -8.322 1.00 0.00 C ATOM 463 NZ LYS A 114 7.000 -2.506 -8.522 1.00 0.00 N ATOM 0 H LYS A 114 1.894 -4.368 -7.877 1.00 0.00 H new ATOM 0 HA LYS A 114 0.938 -2.247 -9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.278 -4.078 -9.485 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.897 -3.259 -10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.861 -1.062 -9.817 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.137 -1.851 -8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.135 -2.452 -10.437 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.155 -0.819 -9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.374 -1.638 -7.508 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.115 -3.294 -8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.435 -2.847 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.169 -3.196 -9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.420 -1.592 -8.785 1.00 0.00 H new ATOM 477 N ALA A 115 0.401 -5.130 -10.904 1.00 0.00 N ATOM 478 CA ALA A 115 -0.370 -5.770 -11.956 1.00 0.00 C ATOM 479 C ALA A 115 -1.870 -5.515 -11.791 1.00 0.00 C ATOM 480 O ALA A 115 -2.535 -5.153 -12.760 1.00 0.00 O ATOM 481 CB ALA A 115 -0.081 -7.272 -11.959 1.00 0.00 C ATOM 0 H ALA A 115 0.928 -5.788 -10.330 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.070 -5.339 -12.911 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.659 -7.752 -12.748 1.00 0.00 H new ATOM 0 HB2 ALA A 115 0.982 -7.438 -12.136 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.359 -7.698 -10.995 1.00 0.00 H new ATOM 487 N ALA A 116 -2.404 -5.657 -10.577 1.00 0.00 N ATOM 488 CA ALA A 116 -3.815 -5.470 -10.264 1.00 0.00 C ATOM 489 C ALA A 116 -4.338 -4.078 -10.608 1.00 0.00 C ATOM 490 O ALA A 116 -5.414 -3.946 -11.190 1.00 0.00 O ATOM 491 CB ALA A 116 -4.018 -5.716 -8.769 1.00 0.00 C ATOM 0 H ALA A 116 -1.847 -5.913 -9.762 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.375 -6.178 -10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -5.070 -5.580 -8.517 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.715 -6.734 -8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.414 -5.010 -8.199 1.00 0.00 H new ATOM 497 N PHE A 117 -3.581 -3.044 -10.236 1.00 0.00 N ATOM 498 CA PHE A 117 -3.921 -1.651 -10.453 1.00 0.00 C ATOM 499 C PHE A 117 -3.411 -1.110 -11.798 1.00 0.00 C ATOM 500 O PHE A 117 -3.819 -0.026 -12.206 1.00 0.00 O ATOM 501 CB PHE A 117 -3.404 -0.863 -9.239 1.00 0.00 C ATOM 502 CG PHE A 117 -4.171 -1.183 -7.959 1.00 0.00 C ATOM 503 CD1 PHE A 117 -3.766 -2.226 -7.104 1.00 0.00 C ATOM 504 CD2 PHE A 117 -5.359 -0.498 -7.661 1.00 0.00 C ATOM 505 CE1 PHE A 117 -4.530 -2.614 -5.995 1.00 0.00 C ATOM 506 CE2 PHE A 117 -6.144 -0.904 -6.569 1.00 0.00 C ATOM 507 CZ PHE A 117 -5.736 -1.954 -5.732 1.00 0.00 C ATOM 0 H PHE A 117 -2.687 -3.165 -9.760 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.002 -1.536 -10.530 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.347 -1.085 -9.090 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.479 0.205 -9.445 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -2.840 -2.742 -7.309 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -5.669 0.339 -8.269 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -4.192 -3.413 -5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -7.078 -0.399 -6.370 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.347 -2.250 -4.892 1.00 0.00 H new ATOM 517 N ALA A 118 -2.554 -1.845 -12.514 1.00 0.00 N ATOM 518 CA ALA A 118 -1.996 -1.453 -13.806 1.00 0.00 C ATOM 519 C ALA A 118 -3.082 -1.140 -14.832 1.00 0.00 C ATOM 520 O ALA A 118 -2.979 -0.090 -15.468 1.00 0.00 O ATOM 521 CB ALA A 118 -1.039 -2.506 -14.378 1.00 0.00 C ATOM 0 H ALA A 118 -2.221 -2.756 -12.198 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.427 -0.544 -13.611 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.654 -2.164 -15.338 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -0.210 -2.657 -13.687 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.573 -3.446 -14.515 1.00 0.00 H new ATOM 527 N PRO A 119 -4.133 -1.964 -15.029 1.00 0.00 N ATOM 528 CA PRO A 119 -5.165 -1.646 -16.006 1.00 0.00 C ATOM 529 C PRO A 119 -5.931 -0.357 -15.678 1.00 0.00 C ATOM 530 O PRO A 119 -6.670 0.115 -16.544 1.00 0.00 O ATOM 531 CB PRO A 119 -6.076 -2.872 -16.076 1.00 0.00 C ATOM 532 CG PRO A 119 -5.895 -3.533 -14.718 1.00 0.00 C ATOM 533 CD PRO A 119 -4.436 -3.245 -14.403 1.00 0.00 C ATOM 0 HA PRO A 119 -4.718 -1.437 -16.978 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -7.115 -2.590 -16.249 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.788 -3.540 -16.888 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.563 -3.109 -13.968 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -6.098 -4.603 -14.757 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -4.271 -3.201 -13.326 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -3.790 -4.032 -14.793 1.00 0.00 H new ATOM 541 N PHE A 120 -5.711 0.260 -14.510 1.00 0.00 N ATOM 542 CA PHE A 120 -6.404 1.489 -14.134 1.00 0.00 C ATOM 543 C PHE A 120 -5.551 2.729 -14.393 1.00 0.00 C ATOM 544 O PHE A 120 -6.110 3.829 -14.384 1.00 0.00 O ATOM 545 CB PHE A 120 -6.842 1.441 -12.663 1.00 0.00 C ATOM 546 CG PHE A 120 -7.903 0.400 -12.417 1.00 0.00 C ATOM 547 CD1 PHE A 120 -7.537 -0.939 -12.186 1.00 0.00 C ATOM 548 CD2 PHE A 120 -9.260 0.761 -12.529 1.00 0.00 C ATOM 549 CE1 PHE A 120 -8.534 -1.923 -12.120 1.00 0.00 C ATOM 550 CE2 PHE A 120 -10.250 -0.231 -12.440 1.00 0.00 C ATOM 551 CZ PHE A 120 -9.890 -1.574 -12.240 1.00 0.00 C ATOM 0 H PHE A 120 -5.053 -0.078 -13.808 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.291 1.561 -14.763 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -5.976 1.230 -12.035 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.220 2.419 -12.366 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -6.498 -1.206 -12.061 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.537 1.794 -12.682 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -8.258 -2.957 -11.976 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -11.292 0.040 -12.526 1.00 0.00 H new ATOM 0 HZ PHE A 120 -10.653 -2.336 -12.179 1.00 0.00 H new ATOM 561 N GLY A 121 -4.246 2.613 -14.652 1.00 0.00 N ATOM 562 CA GLY A 121 -3.390 3.743 -14.924 1.00 0.00 C ATOM 563 C GLY A 121 -1.917 3.435 -14.690 1.00 0.00 C ATOM 564 O GLY A 121 -1.541 2.325 -14.299 1.00 0.00 O ATOM 0 H GLY A 121 -3.760 1.716 -14.676 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.531 4.060 -15.957 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.687 4.579 -14.291 1.00 0.00 H new ATOM 568 N ARG A 122 -1.059 4.391 -15.037 1.00 0.00 N ATOM 569 CA ARG A 122 0.388 4.296 -14.870 1.00 0.00 C ATOM 570 C ARG A 122 0.688 4.403 -13.387 1.00 0.00 C ATOM 571 O ARG A 122 0.158 5.294 -12.733 1.00 0.00 O ATOM 572 CB ARG A 122 1.082 5.443 -15.613 1.00 0.00 C ATOM 573 CG ARG A 122 1.314 5.115 -17.088 1.00 0.00 C ATOM 574 CD ARG A 122 1.785 6.313 -17.912 1.00 0.00 C ATOM 575 NE ARG A 122 0.686 7.249 -18.170 1.00 0.00 N ATOM 576 CZ ARG A 122 0.787 8.383 -18.866 1.00 0.00 C ATOM 577 NH1 ARG A 122 1.959 8.836 -19.300 1.00 0.00 N ATOM 578 NH2 ARG A 122 -0.316 9.068 -19.122 1.00 0.00 N ATOM 0 H ARG A 122 -1.358 5.274 -15.452 1.00 0.00 H new ATOM 0 HA ARG A 122 0.752 3.352 -15.274 1.00 0.00 H new ATOM 0 HB2 ARG A 122 0.476 6.345 -15.534 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.038 5.658 -15.135 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.055 4.319 -17.163 1.00 0.00 H new ATOM 0 HG3 ARG A 122 0.388 4.731 -17.517 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.587 6.828 -17.383 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.199 5.966 -18.859 1.00 0.00 H new ATOM 0 HE ARG A 122 -0.230 7.014 -17.786 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.812 8.313 -19.103 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.005 9.706 -19.830 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -1.217 8.726 -18.789 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -0.265 9.938 -19.652 1.00 0.00 H new ATOM 592 N ILE A 123 1.440 3.454 -12.845 1.00 0.00 N ATOM 593 CA ILE A 123 1.812 3.466 -11.439 1.00 0.00 C ATOM 594 C ILE A 123 3.249 3.952 -11.338 1.00 0.00 C ATOM 595 O ILE A 123 4.116 3.504 -12.098 1.00 0.00 O ATOM 596 CB ILE A 123 1.610 2.089 -10.794 1.00 0.00 C ATOM 597 CG1 ILE A 123 0.266 1.462 -11.239 1.00 0.00 C ATOM 598 CG2 ILE A 123 1.684 2.260 -9.272 1.00 0.00 C ATOM 599 CD1 ILE A 123 -0.082 0.135 -10.572 1.00 0.00 C ATOM 0 H ILE A 123 1.807 2.658 -13.366 1.00 0.00 H new ATOM 0 HA ILE A 123 1.166 4.145 -10.883 1.00 0.00 H new ATOM 0 HB ILE A 123 2.392 1.402 -11.118 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.534 2.174 -11.036 1.00 0.00 H new ATOM 0 HG13 ILE A 123 0.293 1.312 -12.318 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.543 1.293 -8.790 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.659 2.663 -8.998 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.903 2.946 -8.945 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.040 -0.222 -10.950 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.692 -0.599 -10.796 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.147 0.276 -9.493 1.00 0.00 H new ATOM 611 N SER A 124 3.529 4.781 -10.344 1.00 0.00 N ATOM 612 CA SER A 124 4.846 5.329 -10.101 1.00 0.00 C ATOM 613 C SER A 124 5.480 4.497 -8.994 1.00 0.00 C ATOM 614 O SER A 124 6.362 3.673 -9.233 1.00 0.00 O ATOM 615 CB SER A 124 4.742 6.821 -9.727 1.00 0.00 C ATOM 616 OG SER A 124 3.614 7.046 -8.902 1.00 0.00 O ATOM 0 H SER A 124 2.829 5.096 -9.672 1.00 0.00 H new ATOM 0 HA SER A 124 5.471 5.281 -10.993 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.648 7.137 -9.209 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.665 7.425 -10.631 1.00 0.00 H new ATOM 0 HG SER A 124 3.655 7.953 -8.532 1.00 0.00 H new ATOM 622 N ASP A 125 5.066 4.799 -7.775 1.00 0.00 N ATOM 623 CA ASP A 125 5.483 4.231 -6.508 1.00 0.00 C ATOM 624 C ASP A 125 4.440 3.247 -5.986 1.00 0.00 C ATOM 625 O ASP A 125 3.273 3.615 -5.865 1.00 0.00 O ATOM 626 CB ASP A 125 5.778 5.394 -5.548 1.00 0.00 C ATOM 627 CG ASP A 125 7.055 6.152 -5.937 1.00 0.00 C ATOM 628 OD1 ASP A 125 7.060 6.897 -6.941 1.00 0.00 O ATOM 629 OD2 ASP A 125 8.064 6.013 -5.210 1.00 0.00 O ATOM 0 H ASP A 125 4.359 5.521 -7.637 1.00 0.00 H new ATOM 0 HA ASP A 125 6.394 3.642 -6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.934 6.084 -5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 125 5.880 5.009 -4.533 1.00 0.00 H new ATOM 634 N ALA A 126 4.822 2.009 -5.670 1.00 0.00 N ATOM 635 CA ALA A 126 3.932 0.971 -5.146 1.00 0.00 C ATOM 636 C ALA A 126 4.751 0.068 -4.232 1.00 0.00 C ATOM 637 O ALA A 126 5.914 -0.203 -4.557 1.00 0.00 O ATOM 638 CB ALA A 126 3.348 0.160 -6.303 1.00 0.00 C ATOM 0 H ALA A 126 5.786 1.691 -5.774 1.00 0.00 H new ATOM 0 HA ALA A 126 3.108 1.418 -4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 126 2.686 -0.611 -5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 126 2.784 0.820 -6.962 1.00 0.00 H new ATOM 0 HB3 ALA A 126 4.157 -0.308 -6.864 1.00 0.00 H new ATOM 644 N ARG A 127 4.188 -0.371 -3.098 1.00 0.00 N ATOM 645 CA ARG A 127 4.887 -1.252 -2.159 1.00 0.00 C ATOM 646 C ARG A 127 3.953 -1.953 -1.180 1.00 0.00 C ATOM 647 O ARG A 127 2.908 -1.420 -0.808 1.00 0.00 O ATOM 648 CB ARG A 127 5.959 -0.474 -1.366 1.00 0.00 C ATOM 649 CG ARG A 127 5.397 0.659 -0.493 1.00 0.00 C ATOM 650 CD ARG A 127 6.500 1.303 0.348 1.00 0.00 C ATOM 651 NE ARG A 127 7.461 2.093 -0.436 1.00 0.00 N ATOM 652 CZ ARG A 127 8.398 2.892 0.088 1.00 0.00 C ATOM 653 NH1 ARG A 127 8.604 2.955 1.398 1.00 0.00 N ATOM 654 NH2 ARG A 127 9.132 3.647 -0.709 1.00 0.00 N ATOM 0 H ARG A 127 3.241 -0.126 -2.809 1.00 0.00 H new ATOM 0 HA ARG A 127 5.358 -2.020 -2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.503 -1.172 -0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 127 6.680 -0.054 -2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.931 1.414 -1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 127 4.618 0.267 0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 127 6.042 1.947 1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 127 7.038 0.521 0.884 1.00 0.00 H new ATOM 0 HE ARG A 127 7.410 2.027 -1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 127 8.042 2.386 2.031 1.00 0.00 H new ATOM 0 HH12 ARG A 127 9.325 3.572 1.772 1.00 0.00 H new ATOM 0 HH21 ARG A 127 8.983 3.619 -1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 127 9.848 4.258 -0.316 1.00 0.00 H new ATOM 668 N VAL A 128 4.375 -3.132 -0.737 1.00 0.00 N ATOM 669 CA VAL A 128 3.706 -3.969 0.253 1.00 0.00 C ATOM 670 C VAL A 128 4.391 -3.559 1.556 1.00 0.00 C ATOM 671 O VAL A 128 5.630 -3.495 1.606 1.00 0.00 O ATOM 672 CB VAL A 128 3.908 -5.471 -0.057 1.00 0.00 C ATOM 673 CG1 VAL A 128 3.669 -6.387 1.153 1.00 0.00 C ATOM 674 CG2 VAL A 128 2.948 -5.916 -1.160 1.00 0.00 C ATOM 0 H VAL A 128 5.240 -3.552 -1.077 1.00 0.00 H new ATOM 0 HA VAL A 128 2.625 -3.835 0.280 1.00 0.00 H new ATOM 0 HB VAL A 128 4.950 -5.566 -0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 128 3.829 -7.425 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.363 -6.124 1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 128 2.645 -6.263 1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.100 -6.975 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.920 -5.754 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.138 -5.337 -2.064 1.00 0.00 H new ATOM 684 N VAL A 129 3.615 -3.188 2.570 1.00 0.00 N ATOM 685 CA VAL A 129 4.149 -2.786 3.859 1.00 0.00 C ATOM 686 C VAL A 129 4.648 -4.041 4.562 1.00 0.00 C ATOM 687 O VAL A 129 4.014 -5.097 4.497 1.00 0.00 O ATOM 688 CB VAL A 129 3.051 -2.084 4.685 1.00 0.00 C ATOM 689 CG1 VAL A 129 3.560 -1.699 6.086 1.00 0.00 C ATOM 690 CG2 VAL A 129 2.592 -0.807 3.962 1.00 0.00 C ATOM 0 H VAL A 129 2.597 -3.159 2.517 1.00 0.00 H new ATOM 0 HA VAL A 129 4.971 -2.080 3.740 1.00 0.00 H new ATOM 0 HB VAL A 129 2.221 -2.782 4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.761 -1.207 6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.872 -2.597 6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 129 4.408 -1.020 5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.817 -0.315 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.440 -0.132 3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 129 2.194 -1.067 2.981 1.00 0.00 H new ATOM 700 N LYS A 130 5.773 -3.927 5.267 1.00 0.00 N ATOM 701 CA LYS A 130 6.355 -5.026 6.010 1.00 0.00 C ATOM 702 C LYS A 130 6.569 -4.626 7.454 1.00 0.00 C ATOM 703 O LYS A 130 6.539 -3.446 7.838 1.00 0.00 O ATOM 704 CB LYS A 130 7.642 -5.534 5.350 1.00 0.00 C ATOM 705 CG LYS A 130 7.314 -6.235 4.028 1.00 0.00 C ATOM 706 CD LYS A 130 8.521 -6.951 3.436 1.00 0.00 C ATOM 707 CE LYS A 130 8.288 -7.238 1.947 1.00 0.00 C ATOM 708 NZ LYS A 130 9.211 -8.265 1.427 1.00 0.00 N ATOM 0 H LYS A 130 6.305 -3.059 5.334 1.00 0.00 H new ATOM 0 HA LYS A 130 5.655 -5.862 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 130 8.321 -4.701 5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 130 8.155 -6.225 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.512 -6.955 4.191 1.00 0.00 H new ATOM 0 HG3 LYS A 130 6.943 -5.501 3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 130 9.414 -6.338 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 130 8.698 -7.884 3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.260 -7.567 1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 130 8.413 -6.317 1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.018 -8.427 0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 10.192 -7.941 1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.075 -9.152 1.952 1.00 0.00 H new ATOM 722 N ASP A 131 6.714 -5.649 8.272 1.00 0.00 N ATOM 723 CA ASP A 131 6.935 -5.558 9.690 1.00 0.00 C ATOM 724 C ASP A 131 8.354 -5.068 9.930 1.00 0.00 C ATOM 725 O ASP A 131 9.297 -5.578 9.330 1.00 0.00 O ATOM 726 CB ASP A 131 6.726 -6.923 10.327 1.00 0.00 C ATOM 727 CG ASP A 131 6.750 -6.705 11.822 1.00 0.00 C ATOM 728 OD1 ASP A 131 5.769 -6.119 12.333 1.00 0.00 O ATOM 729 OD2 ASP A 131 7.771 -7.017 12.458 1.00 0.00 O ATOM 0 H ASP A 131 6.678 -6.614 7.942 1.00 0.00 H new ATOM 0 HA ASP A 131 6.231 -4.858 10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.777 -7.357 10.013 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.509 -7.617 10.023 1.00 0.00 H new ATOM 734 N MET A 132 8.520 -4.056 10.769 1.00 0.00 N ATOM 735 CA MET A 132 9.819 -3.475 11.094 1.00 0.00 C ATOM 736 C MET A 132 10.650 -4.340 12.038 1.00 0.00 C ATOM 737 O MET A 132 11.802 -3.998 12.301 1.00 0.00 O ATOM 738 CB MET A 132 9.668 -2.071 11.655 1.00 0.00 C ATOM 739 CG MET A 132 8.555 -1.966 12.682 1.00 0.00 C ATOM 740 SD MET A 132 6.878 -1.750 12.025 1.00 0.00 S ATOM 741 CE MET A 132 7.105 -0.124 11.265 1.00 0.00 C ATOM 0 H MET A 132 7.743 -3.606 11.253 1.00 0.00 H new ATOM 0 HA MET A 132 10.366 -3.425 10.153 1.00 0.00 H new ATOM 0 HB2 MET A 132 10.609 -1.764 12.112 1.00 0.00 H new ATOM 0 HB3 MET A 132 9.469 -1.377 10.838 1.00 0.00 H new ATOM 0 HG2 MET A 132 8.569 -2.866 13.296 1.00 0.00 H new ATOM 0 HG3 MET A 132 8.775 -1.127 13.342 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.146 0.392 11.215 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.802 0.463 11.863 1.00 0.00 H new ATOM 0 HE3 MET A 132 7.504 -0.246 10.258 1.00 0.00 H new ATOM 751 N ALA A 133 10.102 -5.415 12.599 1.00 0.00 N ATOM 752 CA ALA A 133 10.825 -6.297 13.495 1.00 0.00 C ATOM 753 C ALA A 133 11.160 -7.639 12.840 1.00 0.00 C ATOM 754 O ALA A 133 12.128 -8.271 13.250 1.00 0.00 O ATOM 755 CB ALA A 133 10.003 -6.476 14.764 1.00 0.00 C ATOM 0 H ALA A 133 9.135 -5.696 12.439 1.00 0.00 H new ATOM 0 HA ALA A 133 11.785 -5.844 13.744 1.00 0.00 H new ATOM 0 HB1 ALA A 133 10.532 -7.137 15.450 1.00 0.00 H new ATOM 0 HB2 ALA A 133 9.851 -5.507 15.239 1.00 0.00 H new ATOM 0 HB3 ALA A 133 9.036 -6.912 14.513 1.00 0.00 H new ATOM 761 N THR A 134 10.446 -8.059 11.790 1.00 0.00 N ATOM 762 CA THR A 134 10.694 -9.352 11.138 1.00 0.00 C ATOM 763 C THR A 134 10.796 -9.288 9.620 1.00 0.00 C ATOM 764 O THR A 134 11.126 -10.275 8.962 1.00 0.00 O ATOM 765 CB THR A 134 9.582 -10.324 11.535 1.00 0.00 C ATOM 766 OG1 THR A 134 8.321 -9.895 11.063 1.00 0.00 O ATOM 767 CG2 THR A 134 9.484 -10.424 13.048 1.00 0.00 C ATOM 0 H THR A 134 9.688 -7.520 11.371 1.00 0.00 H new ATOM 0 HA THR A 134 11.671 -9.690 11.484 1.00 0.00 H new ATOM 0 HB THR A 134 9.835 -11.287 11.092 1.00 0.00 H new ATOM 0 HG1 THR A 134 8.060 -9.073 11.529 1.00 0.00 H new ATOM 0 HG21 THR A 134 8.688 -11.119 13.316 1.00 0.00 H new ATOM 0 HG22 THR A 134 10.431 -10.783 13.451 1.00 0.00 H new ATOM 0 HG23 THR A 134 9.262 -9.441 13.464 1.00 0.00 H new ATOM 775 N GLY A 135 10.487 -8.132 9.051 1.00 0.00 N ATOM 776 CA GLY A 135 10.531 -7.912 7.610 1.00 0.00 C ATOM 777 C GLY A 135 9.555 -8.815 6.860 1.00 0.00 C ATOM 778 O GLY A 135 9.883 -9.278 5.770 1.00 0.00 O ATOM 0 H GLY A 135 10.195 -7.311 9.581 1.00 0.00 H new ATOM 0 HA2 GLY A 135 10.297 -6.869 7.396 1.00 0.00 H new ATOM 0 HA3 GLY A 135 11.543 -8.092 7.247 1.00 0.00 H new ATOM 782 N LYS A 136 8.423 -9.166 7.475 1.00 0.00 N ATOM 783 CA LYS A 136 7.377 -10.009 6.898 1.00 0.00 C ATOM 784 C LYS A 136 6.247 -9.106 6.419 1.00 0.00 C ATOM 785 O LYS A 136 6.108 -8.003 6.947 1.00 0.00 O ATOM 786 CB LYS A 136 6.877 -11.010 7.950 1.00 0.00 C ATOM 787 CG LYS A 136 7.972 -11.932 8.513 1.00 0.00 C ATOM 788 CD LYS A 136 8.524 -12.947 7.509 1.00 0.00 C ATOM 789 CE LYS A 136 9.731 -13.683 8.107 1.00 0.00 C ATOM 790 NZ LYS A 136 10.984 -12.907 7.995 1.00 0.00 N ATOM 0 H LYS A 136 8.203 -8.859 8.423 1.00 0.00 H new ATOM 0 HA LYS A 136 7.765 -10.580 6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.423 -10.458 8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 136 6.093 -11.624 7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 136 8.794 -11.317 8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 136 7.570 -12.470 9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 136 7.748 -13.664 7.242 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.818 -12.438 6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 136 9.535 -13.900 9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 136 9.855 -14.641 7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 11.745 -13.402 8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 11.243 -12.808 6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 10.847 -11.964 8.411 1.00 0.00 H new ATOM 804 N SER A 137 5.419 -9.547 5.479 1.00 0.00 N ATOM 805 CA SER A 137 4.319 -8.754 4.953 1.00 0.00 C ATOM 806 C SER A 137 3.309 -8.416 6.043 1.00 0.00 C ATOM 807 O SER A 137 2.825 -9.298 6.759 1.00 0.00 O ATOM 808 CB SER A 137 3.615 -9.497 3.808 1.00 0.00 C ATOM 809 OG SER A 137 2.585 -8.683 3.278 1.00 0.00 O ATOM 0 H SER A 137 5.495 -10.473 5.058 1.00 0.00 H new ATOM 0 HA SER A 137 4.739 -7.824 4.571 1.00 0.00 H new ATOM 0 HB2 SER A 137 4.333 -9.747 3.027 1.00 0.00 H new ATOM 0 HB3 SER A 137 3.199 -10.437 4.172 1.00 0.00 H new ATOM 0 HG SER A 137 2.137 -9.157 2.546 1.00 0.00 H new ATOM 815 N LYS A 138 3.013 -7.122 6.205 1.00 0.00 N ATOM 816 CA LYS A 138 2.003 -6.694 7.182 1.00 0.00 C ATOM 817 C LYS A 138 0.608 -7.018 6.635 1.00 0.00 C ATOM 818 O LYS A 138 -0.345 -7.067 7.415 1.00 0.00 O ATOM 819 CB LYS A 138 2.061 -5.196 7.510 1.00 0.00 C ATOM 820 CG LYS A 138 3.177 -4.837 8.498 1.00 0.00 C ATOM 821 CD LYS A 138 2.739 -3.683 9.409 1.00 0.00 C ATOM 822 CE LYS A 138 3.848 -3.229 10.362 1.00 0.00 C ATOM 823 NZ LYS A 138 4.755 -2.239 9.741 1.00 0.00 N ATOM 0 H LYS A 138 3.450 -6.363 5.682 1.00 0.00 H new ATOM 0 HA LYS A 138 2.214 -7.235 8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.207 -4.634 6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.103 -4.884 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 138 3.430 -5.708 9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 138 4.077 -4.555 7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.426 -2.839 8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 138 1.871 -3.994 9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 138 3.400 -2.796 11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.426 -4.096 10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.369 -1.825 10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 5.341 -2.708 9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 4.194 -1.487 9.293 1.00 0.00 H new ATOM 837 N GLY A 139 0.470 -7.190 5.318 1.00 0.00 N ATOM 838 CA GLY A 139 -0.776 -7.512 4.636 1.00 0.00 C ATOM 839 C GLY A 139 -1.407 -6.305 3.942 1.00 0.00 C ATOM 840 O GLY A 139 -2.384 -6.488 3.216 1.00 0.00 O ATOM 0 H GLY A 139 1.258 -7.104 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -0.588 -8.292 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -1.484 -7.920 5.358 1.00 0.00 H new ATOM 844 N TYR A 140 -0.991 -5.074 4.263 1.00 0.00 N ATOM 845 CA TYR A 140 -1.479 -3.857 3.617 1.00 0.00 C ATOM 846 C TYR A 140 -0.422 -3.352 2.621 1.00 0.00 C ATOM 847 O TYR A 140 0.746 -3.753 2.696 1.00 0.00 O ATOM 848 CB TYR A 140 -2.047 -2.849 4.625 1.00 0.00 C ATOM 849 CG TYR A 140 -1.150 -2.314 5.728 1.00 0.00 C ATOM 850 CD1 TYR A 140 -1.020 -3.031 6.933 1.00 0.00 C ATOM 851 CD2 TYR A 140 -0.583 -1.029 5.621 1.00 0.00 C ATOM 852 CE1 TYR A 140 -0.350 -2.462 8.030 1.00 0.00 C ATOM 853 CE2 TYR A 140 0.087 -0.450 6.712 1.00 0.00 C ATOM 854 CZ TYR A 140 0.202 -1.167 7.923 1.00 0.00 C ATOM 855 OH TYR A 140 0.846 -0.615 8.984 1.00 0.00 O ATOM 0 H TYR A 140 -0.297 -4.897 4.989 1.00 0.00 H new ATOM 0 HA TYR A 140 -2.359 -4.063 3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.417 -1.993 4.060 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -2.910 -3.313 5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -1.437 -4.024 7.015 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -0.664 -0.484 4.692 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -0.258 -3.015 8.953 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.512 0.539 6.625 1.00 0.00 H new ATOM 0 HH TYR A 140 1.167 0.279 8.743 1.00 0.00 H new ATOM 865 N GLY A 141 -0.793 -2.467 1.696 1.00 0.00 N ATOM 866 CA GLY A 141 0.109 -1.917 0.691 1.00 0.00 C ATOM 867 C GLY A 141 -0.363 -0.551 0.209 1.00 0.00 C ATOM 868 O GLY A 141 -1.474 -0.123 0.523 1.00 0.00 O ATOM 0 H GLY A 141 -1.745 -2.108 1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 141 1.112 -1.831 1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 141 0.174 -2.601 -0.155 1.00 0.00 H new ATOM 872 N PHE A 142 0.485 0.146 -0.540 1.00 0.00 N ATOM 873 CA PHE A 142 0.195 1.466 -1.081 1.00 0.00 C ATOM 874 C PHE A 142 0.505 1.473 -2.570 1.00 0.00 C ATOM 875 O PHE A 142 1.420 0.773 -3.017 1.00 0.00 O ATOM 876 CB PHE A 142 1.045 2.538 -0.377 1.00 0.00 C ATOM 877 CG PHE A 142 0.806 2.690 1.114 1.00 0.00 C ATOM 878 CD1 PHE A 142 -0.429 3.182 1.579 1.00 0.00 C ATOM 879 CD2 PHE A 142 1.820 2.365 2.037 1.00 0.00 C ATOM 880 CE1 PHE A 142 -0.653 3.335 2.959 1.00 0.00 C ATOM 881 CE2 PHE A 142 1.598 2.524 3.417 1.00 0.00 C ATOM 882 CZ PHE A 142 0.359 3.003 3.877 1.00 0.00 C ATOM 0 H PHE A 142 1.411 -0.199 -0.792 1.00 0.00 H new ATOM 0 HA PHE A 142 -0.858 1.692 -0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 142 2.098 2.304 -0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 142 0.856 3.498 -0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.205 3.442 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 142 2.770 1.993 1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -1.603 3.708 3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.378 2.278 4.122 1.00 0.00 H new ATOM 0 HZ PHE A 142 0.184 3.116 4.937 1.00 0.00 H new ATOM 892 N VAL A 143 -0.231 2.294 -3.315 1.00 0.00 N ATOM 893 CA VAL A 143 -0.104 2.487 -4.754 1.00 0.00 C ATOM 894 C VAL A 143 -0.168 3.994 -4.970 1.00 0.00 C ATOM 895 O VAL A 143 -0.981 4.648 -4.326 1.00 0.00 O ATOM 896 CB VAL A 143 -1.242 1.751 -5.495 1.00 0.00 C ATOM 897 CG1 VAL A 143 -1.088 1.901 -7.009 1.00 0.00 C ATOM 898 CG2 VAL A 143 -1.225 0.253 -5.176 1.00 0.00 C ATOM 0 H VAL A 143 -0.968 2.871 -2.910 1.00 0.00 H new ATOM 0 HA VAL A 143 0.827 2.078 -5.147 1.00 0.00 H new ATOM 0 HB VAL A 143 -2.179 2.197 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -1.900 1.375 -7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.121 2.958 -7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -0.133 1.478 -7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -2.036 -0.242 -5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -0.272 -0.174 -5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -1.355 0.108 -4.104 1.00 0.00 H new ATOM 908 N SER A 144 0.655 4.553 -5.850 1.00 0.00 N ATOM 909 CA SER A 144 0.700 5.977 -6.145 1.00 0.00 C ATOM 910 C SER A 144 0.497 6.136 -7.646 1.00 0.00 C ATOM 911 O SER A 144 1.160 5.454 -8.433 1.00 0.00 O ATOM 912 CB SER A 144 2.030 6.587 -5.670 1.00 0.00 C ATOM 913 OG SER A 144 2.533 5.915 -4.524 1.00 0.00 O ATOM 0 H SER A 144 1.328 4.011 -6.392 1.00 0.00 H new ATOM 0 HA SER A 144 -0.086 6.513 -5.613 1.00 0.00 H new ATOM 0 HB2 SER A 144 2.763 6.534 -6.475 1.00 0.00 H new ATOM 0 HB3 SER A 144 1.885 7.642 -5.439 1.00 0.00 H new ATOM 0 HG SER A 144 2.878 5.036 -4.786 1.00 0.00 H new ATOM 919 N PHE A 145 -0.401 7.040 -8.029 1.00 0.00 N ATOM 920 CA PHE A 145 -0.736 7.322 -9.416 1.00 0.00 C ATOM 921 C PHE A 145 -0.434 8.782 -9.732 1.00 0.00 C ATOM 922 O PHE A 145 -0.408 9.635 -8.834 1.00 0.00 O ATOM 923 CB PHE A 145 -2.222 7.036 -9.624 1.00 0.00 C ATOM 924 CG PHE A 145 -2.647 5.614 -9.307 1.00 0.00 C ATOM 925 CD1 PHE A 145 -2.476 4.589 -10.257 1.00 0.00 C ATOM 926 CD2 PHE A 145 -3.239 5.321 -8.065 1.00 0.00 C ATOM 927 CE1 PHE A 145 -2.980 3.302 -10.002 1.00 0.00 C ATOM 928 CE2 PHE A 145 -3.733 4.032 -7.809 1.00 0.00 C ATOM 929 CZ PHE A 145 -3.638 3.036 -8.790 1.00 0.00 C ATOM 0 H PHE A 145 -0.927 7.609 -7.365 1.00 0.00 H new ATOM 0 HA PHE A 145 -0.143 6.694 -10.081 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -2.800 7.720 -9.002 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -2.478 7.254 -10.661 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -1.957 4.792 -11.182 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -3.314 6.088 -7.308 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -2.862 2.519 -10.737 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -4.187 3.808 -6.855 1.00 0.00 H new ATOM 0 HZ PHE A 145 -4.071 2.063 -8.614 1.00 0.00 H new ATOM 939 N PHE A 146 -0.204 9.086 -11.009 1.00 0.00 N ATOM 940 CA PHE A 146 0.091 10.446 -11.467 1.00 0.00 C ATOM 941 C PHE A 146 -1.187 11.305 -11.513 1.00 0.00 C ATOM 942 O PHE A 146 -1.062 12.531 -11.535 1.00 0.00 O ATOM 943 CB PHE A 146 0.670 10.470 -12.901 1.00 0.00 C ATOM 944 CG PHE A 146 1.952 9.704 -13.173 1.00 0.00 C ATOM 945 CD1 PHE A 146 3.113 9.939 -12.410 1.00 0.00 C ATOM 946 CD2 PHE A 146 2.006 8.787 -14.242 1.00 0.00 C ATOM 947 CE1 PHE A 146 4.292 9.214 -12.667 1.00 0.00 C ATOM 948 CE2 PHE A 146 3.185 8.080 -14.503 1.00 0.00 C ATOM 949 CZ PHE A 146 4.323 8.271 -13.709 1.00 0.00 C ATOM 0 H PHE A 146 -0.217 8.394 -11.759 1.00 0.00 H new ATOM 0 HA PHE A 146 0.817 10.839 -10.755 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -0.096 10.086 -13.575 1.00 0.00 H new ATOM 0 HB3 PHE A 146 0.841 11.512 -13.173 1.00 0.00 H new ATOM 0 HD1 PHE A 146 3.098 10.679 -11.624 1.00 0.00 H new ATOM 0 HD2 PHE A 146 1.135 8.630 -14.861 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.172 9.382 -12.064 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.218 7.380 -15.325 1.00 0.00 H new ATOM 0 HZ PHE A 146 5.219 7.697 -13.896 1.00 0.00 H new ATOM 959 N ASN A 147 -2.393 10.710 -11.556 1.00 0.00 N ATOM 960 CA ASN A 147 -3.669 11.437 -11.640 1.00 0.00 C ATOM 961 C ASN A 147 -4.676 10.984 -10.591 1.00 0.00 C ATOM 962 O ASN A 147 -4.707 9.810 -10.226 1.00 0.00 O ATOM 963 CB ASN A 147 -4.362 11.197 -12.998 1.00 0.00 C ATOM 964 CG ASN A 147 -3.487 11.425 -14.219 1.00 0.00 C ATOM 965 OD1 ASN A 147 -2.898 12.495 -14.367 1.00 0.00 O ATOM 966 ND2 ASN A 147 -3.417 10.474 -15.137 1.00 0.00 N ATOM 0 H ASN A 147 -2.508 9.697 -11.533 1.00 0.00 H new ATOM 0 HA ASN A 147 -3.401 12.483 -11.492 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -4.733 10.172 -13.023 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -5.231 11.852 -13.066 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -2.868 10.622 -15.984 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -3.912 9.593 -14.997 1.00 0.00 H new ATOM 973 N LYS A 148 -5.557 11.905 -10.190 1.00 0.00 N ATOM 974 CA LYS A 148 -6.616 11.677 -9.212 1.00 0.00 C ATOM 975 C LYS A 148 -7.671 10.744 -9.788 1.00 0.00 C ATOM 976 O LYS A 148 -7.998 9.752 -9.157 1.00 0.00 O ATOM 977 CB LYS A 148 -7.244 13.030 -8.820 1.00 0.00 C ATOM 978 CG LYS A 148 -8.544 12.944 -8.006 1.00 0.00 C ATOM 979 CD LYS A 148 -8.768 14.127 -7.050 1.00 0.00 C ATOM 980 CE LYS A 148 -8.176 13.804 -5.669 1.00 0.00 C ATOM 981 NZ LYS A 148 -8.269 14.908 -4.692 1.00 0.00 N ATOM 0 H LYS A 148 -5.550 12.859 -10.551 1.00 0.00 H new ATOM 0 HA LYS A 148 -6.196 11.207 -8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -6.512 13.597 -8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -7.442 13.596 -9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -9.387 12.883 -8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -8.537 12.020 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -8.301 15.025 -7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -9.834 14.335 -6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -8.688 12.932 -5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -7.128 13.531 -5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -7.848 14.609 -3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -7.757 15.737 -5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -9.268 15.156 -4.543 1.00 0.00 H new ATOM 995 N TRP A 149 -8.167 11.044 -10.986 1.00 0.00 N ATOM 996 CA TRP A 149 -9.208 10.287 -11.678 1.00 0.00 C ATOM 997 C TRP A 149 -8.890 8.811 -11.806 1.00 0.00 C ATOM 998 O TRP A 149 -9.725 7.965 -11.502 1.00 0.00 O ATOM 999 CB TRP A 149 -9.467 10.873 -13.078 1.00 0.00 C ATOM 1000 CG TRP A 149 -9.019 12.280 -13.270 1.00 0.00 C ATOM 1001 CD1 TRP A 149 -8.060 12.682 -14.128 1.00 0.00 C ATOM 1002 CD2 TRP A 149 -9.401 13.449 -12.500 1.00 0.00 C ATOM 1003 NE1 TRP A 149 -7.850 14.039 -13.974 1.00 0.00 N ATOM 1004 CE2 TRP A 149 -8.632 14.554 -12.958 1.00 0.00 C ATOM 1005 CE3 TRP A 149 -10.251 13.651 -11.395 1.00 0.00 C ATOM 1006 CZ2 TRP A 149 -8.718 15.812 -12.352 1.00 0.00 C ATOM 1007 CZ3 TRP A 149 -10.327 14.900 -10.762 1.00 0.00 C ATOM 1008 CH2 TRP A 149 -9.576 15.986 -11.250 1.00 0.00 C ATOM 0 H TRP A 149 -7.844 11.850 -11.521 1.00 0.00 H new ATOM 0 HA TRP A 149 -10.102 10.376 -11.061 1.00 0.00 H new ATOM 0 HB2 TRP A 149 -8.966 10.245 -13.815 1.00 0.00 H new ATOM 0 HB3 TRP A 149 -10.536 10.817 -13.285 1.00 0.00 H new ATOM 0 HD1 TRP A 149 -7.538 12.044 -14.826 1.00 0.00 H new ATOM 0 HE1 TRP A 149 -7.202 14.589 -14.537 1.00 0.00 H new ATOM 0 HE3 TRP A 149 -10.853 12.832 -11.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 -8.133 16.640 -12.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 -10.963 15.029 -9.899 1.00 0.00 H new ATOM 0 HH2 TRP A 149 -9.658 16.954 -10.778 1.00 0.00 H new ATOM 1019 N ASP A 150 -7.668 8.517 -12.243 1.00 0.00 N ATOM 1020 CA ASP A 150 -7.214 7.154 -12.445 1.00 0.00 C ATOM 1021 C ASP A 150 -7.272 6.398 -11.110 1.00 0.00 C ATOM 1022 O ASP A 150 -7.762 5.269 -11.034 1.00 0.00 O ATOM 1023 CB ASP A 150 -5.782 7.130 -12.992 1.00 0.00 C ATOM 1024 CG ASP A 150 -5.528 7.788 -14.348 1.00 0.00 C ATOM 1025 OD1 ASP A 150 -6.439 8.401 -14.946 1.00 0.00 O ATOM 1026 OD2 ASP A 150 -4.353 7.734 -14.780 1.00 0.00 O ATOM 0 H ASP A 150 -6.967 9.223 -12.466 1.00 0.00 H new ATOM 0 HA ASP A 150 -7.866 6.672 -13.174 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -5.135 7.612 -12.259 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -5.466 6.089 -13.060 1.00 0.00 H new ATOM 1031 N ALA A 151 -6.756 7.026 -10.050 1.00 0.00 N ATOM 1032 CA ALA A 151 -6.721 6.490 -8.701 1.00 0.00 C ATOM 1033 C ALA A 151 -8.151 6.284 -8.181 1.00 0.00 C ATOM 1034 O ALA A 151 -8.469 5.230 -7.633 1.00 0.00 O ATOM 1035 CB ALA A 151 -5.932 7.461 -7.821 1.00 0.00 C ATOM 0 H ALA A 151 -6.338 7.954 -10.118 1.00 0.00 H new ATOM 0 HA ALA A 151 -6.229 5.517 -8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -5.893 7.078 -6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.919 7.563 -8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -6.422 8.435 -7.824 1.00 0.00 H new ATOM 1041 N GLU A 152 -9.024 7.283 -8.340 1.00 0.00 N ATOM 1042 CA GLU A 152 -10.422 7.239 -7.932 1.00 0.00 C ATOM 1043 C GLU A 152 -11.135 6.064 -8.597 1.00 0.00 C ATOM 1044 O GLU A 152 -11.853 5.336 -7.911 1.00 0.00 O ATOM 1045 CB GLU A 152 -11.141 8.537 -8.314 1.00 0.00 C ATOM 1046 CG GLU A 152 -10.876 9.672 -7.338 1.00 0.00 C ATOM 1047 CD GLU A 152 -11.902 10.785 -7.503 1.00 0.00 C ATOM 1048 OE1 GLU A 152 -11.816 11.527 -8.508 1.00 0.00 O ATOM 1049 OE2 GLU A 152 -12.817 10.895 -6.645 1.00 0.00 O ATOM 0 H GLU A 152 -8.764 8.171 -8.770 1.00 0.00 H new ATOM 0 HA GLU A 152 -10.448 7.118 -6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -10.824 8.841 -9.311 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -12.214 8.351 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -10.907 9.293 -6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -9.874 10.069 -7.500 1.00 0.00 H new ATOM 1056 N ASN A 153 -10.928 5.871 -9.906 1.00 0.00 N ATOM 1057 CA ASN A 153 -11.529 4.778 -10.669 1.00 0.00 C ATOM 1058 C ASN A 153 -11.197 3.475 -9.957 1.00 0.00 C ATOM 1059 O ASN A 153 -12.085 2.673 -9.682 1.00 0.00 O ATOM 1060 CB ASN A 153 -11.006 4.772 -12.113 1.00 0.00 C ATOM 1061 CG ASN A 153 -11.748 3.795 -13.025 1.00 0.00 C ATOM 1062 OD1 ASN A 153 -11.886 2.608 -12.758 1.00 0.00 O ATOM 1063 ND2 ASN A 153 -12.206 4.271 -14.162 1.00 0.00 N ATOM 0 H ASN A 153 -10.331 6.478 -10.468 1.00 0.00 H new ATOM 0 HA ASN A 153 -12.610 4.904 -10.724 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -11.090 5.777 -12.526 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -9.946 4.517 -12.106 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -12.676 3.651 -14.822 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -12.091 5.260 -14.384 1.00 0.00 H new ATOM 1070 N ALA A 154 -9.922 3.295 -9.599 1.00 0.00 N ATOM 1071 CA ALA A 154 -9.479 2.108 -8.903 1.00 0.00 C ATOM 1072 C ALA A 154 -10.130 2.010 -7.517 1.00 0.00 C ATOM 1073 O ALA A 154 -10.556 0.924 -7.157 1.00 0.00 O ATOM 1074 CB ALA A 154 -7.954 2.072 -8.818 1.00 0.00 C ATOM 0 H ALA A 154 -9.181 3.970 -9.787 1.00 0.00 H new ATOM 0 HA ALA A 154 -9.797 1.234 -9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 154 -7.640 1.171 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 154 -7.534 2.069 -9.824 1.00 0.00 H new ATOM 0 HB3 ALA A 154 -7.599 2.950 -8.279 1.00 0.00 H new ATOM 1080 N ILE A 155 -10.202 3.067 -6.693 1.00 0.00 N ATOM 1081 CA ILE A 155 -10.837 2.979 -5.363 1.00 0.00 C ATOM 1082 C ILE A 155 -12.271 2.456 -5.493 1.00 0.00 C ATOM 1083 O ILE A 155 -12.749 1.730 -4.622 1.00 0.00 O ATOM 1084 CB ILE A 155 -10.793 4.338 -4.621 1.00 0.00 C ATOM 1085 CG1 ILE A 155 -9.335 4.645 -4.232 1.00 0.00 C ATOM 1086 CG2 ILE A 155 -11.680 4.328 -3.357 1.00 0.00 C ATOM 1087 CD1 ILE A 155 -9.154 5.951 -3.449 1.00 0.00 C ATOM 0 H ILE A 155 -9.831 3.990 -6.920 1.00 0.00 H new ATOM 0 HA ILE A 155 -10.269 2.270 -4.760 1.00 0.00 H new ATOM 0 HB ILE A 155 -11.180 5.109 -5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -8.949 3.820 -3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -8.731 4.691 -5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -11.622 5.299 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -12.713 4.125 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -11.331 3.553 -2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -8.099 6.092 -3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -9.507 6.788 -4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -9.728 5.903 -2.524 1.00 0.00 H new ATOM 1099 N GLN A 156 -12.965 2.879 -6.543 1.00 0.00 N ATOM 1100 CA GLN A 156 -14.330 2.476 -6.818 1.00 0.00 C ATOM 1101 C GLN A 156 -14.398 1.025 -7.303 1.00 0.00 C ATOM 1102 O GLN A 156 -14.983 0.172 -6.643 1.00 0.00 O ATOM 1103 CB GLN A 156 -14.932 3.405 -7.887 1.00 0.00 C ATOM 1104 CG GLN A 156 -15.080 4.874 -7.459 1.00 0.00 C ATOM 1105 CD GLN A 156 -15.278 5.858 -8.611 1.00 0.00 C ATOM 1106 OE1 GLN A 156 -15.330 7.065 -8.379 1.00 0.00 O ATOM 1107 NE2 GLN A 156 -15.394 5.406 -9.852 1.00 0.00 N ATOM 0 H GLN A 156 -12.584 3.523 -7.236 1.00 0.00 H new ATOM 0 HA GLN A 156 -14.900 2.550 -5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -14.306 3.363 -8.778 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -15.913 3.023 -8.168 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -15.928 4.956 -6.779 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -14.192 5.166 -6.898 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -15.350 4.404 -10.036 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -15.527 6.061 -10.623 1.00 0.00 H new ATOM 1116 N GLN A 157 -13.831 0.769 -8.478 1.00 0.00 N ATOM 1117 CA GLN A 157 -13.821 -0.500 -9.182 1.00 0.00 C ATOM 1118 C GLN A 157 -13.027 -1.636 -8.533 1.00 0.00 C ATOM 1119 O GLN A 157 -13.527 -2.759 -8.516 1.00 0.00 O ATOM 1120 CB GLN A 157 -13.364 -0.214 -10.620 1.00 0.00 C ATOM 1121 CG GLN A 157 -14.274 0.793 -11.375 1.00 0.00 C ATOM 1122 CD GLN A 157 -15.699 0.301 -11.628 1.00 0.00 C ATOM 1123 OE1 GLN A 157 -16.031 -0.867 -11.427 1.00 0.00 O ATOM 1124 NE2 GLN A 157 -16.590 1.164 -12.084 1.00 0.00 N ATOM 0 H GLN A 157 -13.334 1.495 -8.995 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.835 -0.899 -9.148 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -12.346 0.175 -10.598 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.335 -1.151 -11.176 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -14.320 1.720 -10.803 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.811 1.032 -12.333 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -16.321 2.133 -12.253 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.546 0.861 -12.267 1.00 0.00 H new ATOM 1133 N MET A 158 -11.810 -1.396 -8.033 1.00 0.00 N ATOM 1134 CA MET A 158 -11.003 -2.441 -7.392 1.00 0.00 C ATOM 1135 C MET A 158 -11.455 -2.749 -5.965 1.00 0.00 C ATOM 1136 O MET A 158 -11.156 -3.834 -5.466 1.00 0.00 O ATOM 1137 CB MET A 158 -9.507 -2.100 -7.395 1.00 0.00 C ATOM 1138 CG MET A 158 -8.903 -2.243 -8.791 1.00 0.00 C ATOM 1139 SD MET A 158 -8.956 -3.919 -9.503 1.00 0.00 S ATOM 1140 CE MET A 158 -8.208 -4.900 -8.182 1.00 0.00 C ATOM 0 H MET A 158 -11.360 -0.481 -8.060 1.00 0.00 H new ATOM 0 HA MET A 158 -11.161 -3.335 -7.996 1.00 0.00 H new ATOM 0 HB2 MET A 158 -9.365 -1.080 -7.039 1.00 0.00 H new ATOM 0 HB3 MET A 158 -8.982 -2.756 -6.701 1.00 0.00 H new ATOM 0 HG2 MET A 158 -9.426 -1.565 -9.465 1.00 0.00 H new ATOM 0 HG3 MET A 158 -7.864 -1.916 -8.753 1.00 0.00 H new ATOM 0 HE1 MET A 158 -7.835 -5.838 -8.592 1.00 0.00 H new ATOM 0 HE2 MET A 158 -7.382 -4.344 -7.739 1.00 0.00 H new ATOM 0 HE3 MET A 158 -8.955 -5.110 -7.417 1.00 0.00 H new ATOM 1150 N GLY A 159 -12.173 -1.839 -5.308 1.00 0.00 N ATOM 1151 CA GLY A 159 -12.656 -2.041 -3.952 1.00 0.00 C ATOM 1152 C GLY A 159 -13.591 -3.241 -3.894 1.00 0.00 C ATOM 1153 O GLY A 159 -14.679 -3.200 -4.471 1.00 0.00 O ATOM 0 H GLY A 159 -12.435 -0.938 -5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.813 -2.196 -3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.178 -1.148 -3.609 1.00 0.00 H new ATOM 1157 N GLY A 160 -13.164 -4.309 -3.221 1.00 0.00 N ATOM 1158 CA GLY A 160 -13.920 -5.540 -3.061 1.00 0.00 C ATOM 1159 C GLY A 160 -13.521 -6.619 -4.065 1.00 0.00 C ATOM 1160 O GLY A 160 -13.965 -7.755 -3.903 1.00 0.00 O ATOM 0 H GLY A 160 -12.254 -4.337 -2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -13.775 -5.920 -2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -14.983 -5.324 -3.171 1.00 0.00 H new ATOM 1164 N GLN A 161 -12.706 -6.312 -5.081 1.00 0.00 N ATOM 1165 CA GLN A 161 -12.290 -7.307 -6.066 1.00 0.00 C ATOM 1166 C GLN A 161 -11.325 -8.294 -5.427 1.00 0.00 C ATOM 1167 O GLN A 161 -10.853 -8.081 -4.310 1.00 0.00 O ATOM 1168 CB GLN A 161 -11.653 -6.664 -7.306 1.00 0.00 C ATOM 1169 CG GLN A 161 -12.554 -5.642 -8.004 1.00 0.00 C ATOM 1170 CD GLN A 161 -13.801 -6.189 -8.697 1.00 0.00 C ATOM 1171 OE1 GLN A 161 -14.193 -7.347 -8.563 1.00 0.00 O ATOM 1172 NE2 GLN A 161 -14.395 -5.368 -9.545 1.00 0.00 N ATOM 0 H GLN A 161 -12.323 -5.380 -5.239 1.00 0.00 H new ATOM 0 HA GLN A 161 -13.183 -7.834 -6.401 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -10.724 -6.175 -7.013 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.391 -7.448 -8.016 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -12.870 -4.906 -7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -11.957 -5.112 -8.746 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -14.060 -4.410 -9.647 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -15.188 -5.692 -10.098 1.00 0.00 H new ATOM 1181 N TRP A 162 -11.025 -9.376 -6.137 1.00 0.00 N ATOM 1182 CA TRP A 162 -10.133 -10.422 -5.673 1.00 0.00 C ATOM 1183 C TRP A 162 -8.794 -10.288 -6.395 1.00 0.00 C ATOM 1184 O TRP A 162 -8.747 -10.137 -7.615 1.00 0.00 O ATOM 1185 CB TRP A 162 -10.786 -11.798 -5.865 1.00 0.00 C ATOM 1186 CG TRP A 162 -12.033 -12.083 -5.062 1.00 0.00 C ATOM 1187 CD1 TRP A 162 -13.126 -11.294 -4.952 1.00 0.00 C ATOM 1188 CD2 TRP A 162 -12.315 -13.218 -4.189 1.00 0.00 C ATOM 1189 NE1 TRP A 162 -14.087 -11.905 -4.182 1.00 0.00 N ATOM 1190 CE2 TRP A 162 -13.606 -13.052 -3.603 1.00 0.00 C ATOM 1191 CE3 TRP A 162 -11.595 -14.363 -3.806 1.00 0.00 C ATOM 1192 CZ2 TRP A 162 -14.131 -13.943 -2.656 1.00 0.00 C ATOM 1193 CZ3 TRP A 162 -12.091 -15.246 -2.833 1.00 0.00 C ATOM 1194 CH2 TRP A 162 -13.349 -15.032 -2.244 1.00 0.00 C ATOM 0 H TRP A 162 -11.404 -9.550 -7.068 1.00 0.00 H new ATOM 0 HA TRP A 162 -9.943 -10.320 -4.605 1.00 0.00 H new ATOM 0 HB2 TRP A 162 -11.030 -11.913 -6.921 1.00 0.00 H new ATOM 0 HB3 TRP A 162 -10.046 -12.561 -5.624 1.00 0.00 H new ATOM 0 HD1 TRP A 162 -13.229 -10.320 -5.406 1.00 0.00 H new ATOM 0 HE1 TRP A 162 -15.035 -11.551 -4.057 1.00 0.00 H new ATOM 0 HE3 TRP A 162 -10.641 -14.568 -4.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 -15.121 -13.793 -2.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 -11.499 -16.099 -2.534 1.00 0.00 H new ATOM 0 HH2 TRP A 162 -13.711 -15.702 -1.479 1.00 0.00 H new ATOM 1205 N LEU A 163 -7.708 -10.337 -5.622 1.00 0.00 N ATOM 1206 CA LEU A 163 -6.328 -10.235 -6.075 1.00 0.00 C ATOM 1207 C LEU A 163 -5.583 -11.468 -5.601 1.00 0.00 C ATOM 1208 O LEU A 163 -5.508 -11.723 -4.396 1.00 0.00 O ATOM 1209 CB LEU A 163 -5.669 -8.976 -5.492 1.00 0.00 C ATOM 1210 CG LEU A 163 -4.135 -8.908 -5.668 1.00 0.00 C ATOM 1211 CD1 LEU A 163 -3.710 -9.045 -7.128 1.00 0.00 C ATOM 1212 CD2 LEU A 163 -3.617 -7.577 -5.124 1.00 0.00 C ATOM 0 H LEU A 163 -7.776 -10.455 -4.611 1.00 0.00 H new ATOM 0 HA LEU A 163 -6.298 -10.166 -7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -6.114 -8.099 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -5.902 -8.920 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 163 -3.709 -9.745 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -2.624 -8.991 -7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -4.051 -10.004 -7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -4.152 -8.238 -7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -2.535 -7.529 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -4.081 -6.756 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -3.865 -7.495 -4.066 1.00 0.00 H new ATOM 1224 N GLY A 164 -5.060 -12.252 -6.537 1.00 0.00 N ATOM 1225 CA GLY A 164 -4.291 -13.456 -6.265 1.00 0.00 C ATOM 1226 C GLY A 164 -5.074 -14.598 -5.606 1.00 0.00 C ATOM 1227 O GLY A 164 -4.522 -15.688 -5.466 1.00 0.00 O ATOM 0 H GLY A 164 -5.163 -12.060 -7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -3.871 -13.819 -7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -3.452 -13.194 -5.621 1.00 0.00 H new ATOM 1231 N GLY A 165 -6.335 -14.383 -5.210 1.00 0.00 N ATOM 1232 CA GLY A 165 -7.178 -15.384 -4.570 1.00 0.00 C ATOM 1233 C GLY A 165 -8.004 -14.882 -3.379 1.00 0.00 C ATOM 1234 O GLY A 165 -8.835 -15.647 -2.888 1.00 0.00 O ATOM 0 H GLY A 165 -6.802 -13.485 -5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -7.859 -15.793 -5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -6.546 -16.205 -4.232 1.00 0.00 H new ATOM 1238 N ARG A 166 -7.842 -13.637 -2.907 1.00 0.00 N ATOM 1239 CA ARG A 166 -8.612 -13.079 -1.784 1.00 0.00 C ATOM 1240 C ARG A 166 -9.081 -11.668 -2.113 1.00 0.00 C ATOM 1241 O ARG A 166 -8.419 -10.989 -2.903 1.00 0.00 O ATOM 1242 CB ARG A 166 -7.736 -13.007 -0.522 1.00 0.00 C ATOM 1243 CG ARG A 166 -7.907 -14.205 0.408 1.00 0.00 C ATOM 1244 CD ARG A 166 -7.206 -13.882 1.735 1.00 0.00 C ATOM 1245 NE ARG A 166 -7.516 -14.873 2.767 1.00 0.00 N ATOM 1246 CZ ARG A 166 -6.672 -15.326 3.696 1.00 0.00 C ATOM 1247 NH1 ARG A 166 -5.543 -14.677 3.978 1.00 0.00 N ATOM 1248 NH2 ARG A 166 -6.966 -16.451 4.328 1.00 0.00 N ATOM 0 H ARG A 166 -7.165 -12.982 -3.298 1.00 0.00 H new ATOM 0 HA ARG A 166 -9.470 -13.729 -1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -6.690 -12.935 -0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -7.976 -12.095 0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -8.965 -14.409 0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -7.477 -15.100 -0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -6.128 -13.846 1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -7.512 -12.893 2.077 1.00 0.00 H new ATOM 0 HE ARG A 166 -8.463 -15.252 2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -5.311 -13.818 3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -4.911 -15.040 4.692 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -7.824 -16.954 4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -6.335 -16.815 5.042 1.00 0.00 H new ATOM 1262 N GLN A 167 -10.181 -11.219 -1.496 1.00 0.00 N ATOM 1263 CA GLN A 167 -10.708 -9.872 -1.711 1.00 0.00 C ATOM 1264 C GLN A 167 -9.692 -8.829 -1.230 1.00 0.00 C ATOM 1265 O GLN A 167 -8.820 -9.136 -0.416 1.00 0.00 O ATOM 1266 CB GLN A 167 -12.031 -9.638 -0.955 1.00 0.00 C ATOM 1267 CG GLN A 167 -13.253 -10.243 -1.630 1.00 0.00 C ATOM 1268 CD GLN A 167 -14.557 -9.759 -0.995 1.00 0.00 C ATOM 1269 OE1 GLN A 167 -15.056 -10.317 -0.016 1.00 0.00 O ATOM 1270 NE2 GLN A 167 -15.150 -8.719 -1.548 1.00 0.00 N ATOM 0 H GLN A 167 -10.725 -11.777 -0.839 1.00 0.00 H new ATOM 0 HA GLN A 167 -10.893 -9.772 -2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -11.941 -10.054 0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -12.187 -8.565 -0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -13.248 -9.984 -2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -13.201 -11.330 -1.567 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -14.730 -8.263 -2.358 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -16.029 -8.370 -1.166 1.00 0.00 H new ATOM 1279 N ILE A 168 -9.860 -7.580 -1.665 1.00 0.00 N ATOM 1280 CA ILE A 168 -9.011 -6.448 -1.297 1.00 0.00 C ATOM 1281 C ILE A 168 -9.881 -5.238 -0.960 1.00 0.00 C ATOM 1282 O ILE A 168 -11.010 -5.132 -1.441 1.00 0.00 O ATOM 1283 CB ILE A 168 -7.975 -6.098 -2.387 1.00 0.00 C ATOM 1284 CG1 ILE A 168 -8.614 -5.526 -3.669 1.00 0.00 C ATOM 1285 CG2 ILE A 168 -7.079 -7.309 -2.674 1.00 0.00 C ATOM 1286 CD1 ILE A 168 -7.595 -5.094 -4.719 1.00 0.00 C ATOM 0 H ILE A 168 -10.613 -7.321 -2.302 1.00 0.00 H new ATOM 0 HA ILE A 168 -8.439 -6.740 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 168 -7.351 -5.294 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 168 -9.274 -6.278 -4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 168 -9.236 -4.671 -3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 168 -6.353 -7.050 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 168 -6.555 -7.598 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 168 -7.692 -8.142 -3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 168 -8.116 -4.702 -5.592 1.00 0.00 H new ATOM 0 HD12 ILE A 168 -6.950 -4.319 -4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 168 -6.989 -5.951 -5.012 1.00 0.00 H new ATOM 1298 N ARG A 169 -9.369 -4.334 -0.123 1.00 0.00 N ATOM 1299 CA ARG A 169 -10.049 -3.097 0.275 1.00 0.00 C ATOM 1300 C ARG A 169 -9.227 -1.957 -0.305 1.00 0.00 C ATOM 1301 O ARG A 169 -7.997 -2.062 -0.310 1.00 0.00 O ATOM 1302 CB ARG A 169 -10.257 -2.978 1.800 1.00 0.00 C ATOM 1303 CG ARG A 169 -9.040 -3.233 2.702 1.00 0.00 C ATOM 1304 CD ARG A 169 -9.418 -2.981 4.175 1.00 0.00 C ATOM 1305 NE ARG A 169 -8.710 -3.871 5.113 1.00 0.00 N ATOM 1306 CZ ARG A 169 -8.640 -3.738 6.444 1.00 0.00 C ATOM 1307 NH1 ARG A 169 -9.279 -2.751 7.063 1.00 0.00 N ATOM 1308 NH2 ARG A 169 -7.909 -4.599 7.143 1.00 0.00 N ATOM 0 H ARG A 169 -8.450 -4.442 0.307 1.00 0.00 H new ATOM 0 HA ARG A 169 -11.066 -3.078 -0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -10.629 -1.976 2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -11.042 -3.677 2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -8.692 -4.258 2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -8.217 -2.579 2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -9.196 -1.944 4.429 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -10.493 -3.116 4.296 1.00 0.00 H new ATOM 0 HE ARG A 169 -8.223 -4.670 4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -9.831 -2.084 6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -9.218 -2.661 8.077 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -7.410 -5.350 6.666 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -7.847 -4.510 8.157 1.00 0.00 H new ATOM 1322 N THR A 170 -9.864 -0.884 -0.773 1.00 0.00 N ATOM 1323 CA THR A 170 -9.184 0.263 -1.365 1.00 0.00 C ATOM 1324 C THR A 170 -9.812 1.550 -0.847 1.00 0.00 C ATOM 1325 O THR A 170 -11.038 1.636 -0.791 1.00 0.00 O ATOM 1326 CB THR A 170 -9.272 0.201 -2.898 1.00 0.00 C ATOM 1327 OG1 THR A 170 -10.601 0.022 -3.329 1.00 0.00 O ATOM 1328 CG2 THR A 170 -8.470 -0.967 -3.479 1.00 0.00 C ATOM 0 H THR A 170 -10.879 -0.788 -0.750 1.00 0.00 H new ATOM 0 HA THR A 170 -8.132 0.242 -1.082 1.00 0.00 H new ATOM 0 HB THR A 170 -8.867 1.151 -3.247 1.00 0.00 H new ATOM 0 HG1 THR A 170 -10.626 -0.012 -4.308 1.00 0.00 H new ATOM 0 HG21 THR A 170 -8.564 -0.968 -4.565 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.420 -0.859 -3.205 1.00 0.00 H new ATOM 0 HG23 THR A 170 -8.854 -1.906 -3.081 1.00 0.00 H new ATOM 1336 N ASN A 171 -9.006 2.548 -0.474 1.00 0.00 N ATOM 1337 CA ASN A 171 -9.498 3.828 0.033 1.00 0.00 C ATOM 1338 C ASN A 171 -8.417 4.908 -0.137 1.00 0.00 C ATOM 1339 O ASN A 171 -7.308 4.614 -0.579 1.00 0.00 O ATOM 1340 CB ASN A 171 -9.911 3.651 1.507 1.00 0.00 C ATOM 1341 CG ASN A 171 -10.661 4.857 2.040 1.00 0.00 C ATOM 1342 OD1 ASN A 171 -10.109 5.669 2.776 1.00 0.00 O ATOM 1343 ND2 ASN A 171 -11.895 5.064 1.627 1.00 0.00 N ATOM 0 H ASN A 171 -7.989 2.488 -0.516 1.00 0.00 H new ATOM 0 HA ASN A 171 -10.371 4.154 -0.532 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -10.537 2.764 1.603 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -9.022 3.481 2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -12.397 5.903 1.919 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -12.349 4.385 1.015 1.00 0.00 H new ATOM 1350 N TRP A 172 -8.716 6.176 0.157 1.00 0.00 N ATOM 1351 CA TRP A 172 -7.753 7.267 0.047 1.00 0.00 C ATOM 1352 C TRP A 172 -6.717 7.101 1.157 1.00 0.00 C ATOM 1353 O TRP A 172 -7.094 7.121 2.334 1.00 0.00 O ATOM 1354 CB TRP A 172 -8.465 8.618 0.192 1.00 0.00 C ATOM 1355 CG TRP A 172 -9.206 9.078 -1.022 1.00 0.00 C ATOM 1356 CD1 TRP A 172 -10.540 9.007 -1.246 1.00 0.00 C ATOM 1357 CD2 TRP A 172 -8.628 9.670 -2.217 1.00 0.00 C ATOM 1358 NE1 TRP A 172 -10.824 9.525 -2.498 1.00 0.00 N ATOM 1359 CE2 TRP A 172 -9.676 9.928 -3.144 1.00 0.00 C ATOM 1360 CE3 TRP A 172 -7.317 10.011 -2.613 1.00 0.00 C ATOM 1361 CZ2 TRP A 172 -9.421 10.466 -4.410 1.00 0.00 C ATOM 1362 CZ3 TRP A 172 -7.050 10.504 -3.902 1.00 0.00 C ATOM 1363 CH2 TRP A 172 -8.098 10.673 -4.820 1.00 0.00 C ATOM 0 H TRP A 172 -9.637 6.473 0.479 1.00 0.00 H new ATOM 0 HA TRP A 172 -7.268 7.240 -0.929 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -9.166 8.554 1.024 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -7.726 9.374 0.456 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -11.269 8.608 -0.555 1.00 0.00 H new ATOM 0 HE1 TRP A 172 -11.762 9.599 -2.891 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -6.504 9.891 -1.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 -10.239 10.720 -5.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -6.038 10.753 -4.186 1.00 0.00 H new ATOM 0 HH2 TRP A 172 -7.885 10.962 -5.839 1.00 0.00 H new ATOM 1374 N ALA A 173 -5.434 6.910 0.819 1.00 0.00 N ATOM 1375 CA ALA A 173 -4.403 6.761 1.847 1.00 0.00 C ATOM 1376 C ALA A 173 -4.333 8.043 2.673 1.00 0.00 C ATOM 1377 O ALA A 173 -4.253 7.984 3.902 1.00 0.00 O ATOM 1378 CB ALA A 173 -3.034 6.448 1.232 1.00 0.00 C ATOM 0 H ALA A 173 -5.093 6.856 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 173 -4.670 5.921 2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -2.294 6.344 2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -3.093 5.518 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -2.740 7.259 0.566 1.00 0.00 H new