USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=12 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 153 ASN : amide:sc= 0.183 K(o=0.64,f=-1.7!) USER MOD Set 1.2: A 157 GLN : amide:sc= 0.452 K(o=0.64,f=-0.28) USER MOD Set 2.1: A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 140 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 96 HIS : no HD1:sc= 0.464 K(o=3.7,f=-3.4!) USER MOD Set 3.2: A 98 HIS : no HD1:sc= -0.34 K(o=3.7,f=2.9) USER MOD Set 3.3: A 124 SER OG : rot -156:sc= 2.33 USER MOD Set 3.4: A 144 SER OG : rot -91:sc= 1.21 USER MOD Single : A 105 SER OG : rot -161:sc= 0.958 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 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 132 MET CE :methyl 165:sc=-0.00677 (180deg=-0.242) USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 140:sc= 0 USER MOD Single : A 147 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 LYS NZ :NH3+ -112:sc= 1.97 (180deg=-0.0802) USER MOD Single : A 156 GLN : amide:sc= -0.0125 X(o=-0.013,f=-0.008) USER MOD Single : A 158 MET CE :methyl -146:sc= -0.66 (180deg=-2.38!) USER MOD Single : A 161 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.75) USER MOD Single : A 167 GLN : amide:sc= 0.737 K(o=0.74,f=0) USER MOD Single : A 170 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 171 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 1.437 13.584 -6.399 1.00 0.00 N ATOM 179 CA HIS A 96 0.637 12.456 -6.870 1.00 0.00 C ATOM 180 C HIS A 96 -0.553 12.233 -5.930 1.00 0.00 C ATOM 181 O HIS A 96 -0.792 13.036 -5.023 1.00 0.00 O ATOM 182 CB HIS A 96 1.563 11.237 -7.029 1.00 0.00 C ATOM 183 CG HIS A 96 2.572 11.357 -8.156 1.00 0.00 C ATOM 184 ND1 HIS A 96 3.482 10.361 -8.501 1.00 0.00 N ATOM 185 CD2 HIS A 96 2.804 12.447 -8.952 1.00 0.00 C ATOM 186 CE1 HIS A 96 4.254 10.874 -9.473 1.00 0.00 C ATOM 187 NE2 HIS A 96 3.862 12.123 -9.771 1.00 0.00 N ATOM 0 HA HIS A 96 0.198 12.650 -7.849 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.099 11.079 -6.093 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.951 10.351 -7.199 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.261 13.381 -8.940 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.074 10.355 -9.948 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.276 12.727 -10.481 1.00 0.00 H new ATOM 195 N PHE A 97 -1.313 11.165 -6.171 1.00 0.00 N ATOM 196 CA PHE A 97 -2.490 10.778 -5.410 1.00 0.00 C ATOM 197 C PHE A 97 -2.247 9.349 -4.941 1.00 0.00 C ATOM 198 O PHE A 97 -2.236 8.428 -5.763 1.00 0.00 O ATOM 199 CB PHE A 97 -3.737 10.925 -6.296 1.00 0.00 C ATOM 200 CG PHE A 97 -3.863 12.300 -6.925 1.00 0.00 C ATOM 201 CD1 PHE A 97 -4.482 13.346 -6.215 1.00 0.00 C ATOM 202 CD2 PHE A 97 -3.295 12.553 -8.191 1.00 0.00 C ATOM 203 CE1 PHE A 97 -4.541 14.635 -6.772 1.00 0.00 C ATOM 204 CE2 PHE A 97 -3.350 13.845 -8.744 1.00 0.00 C ATOM 205 CZ PHE A 97 -3.977 14.883 -8.035 1.00 0.00 C ATOM 0 H PHE A 97 -1.112 10.521 -6.936 1.00 0.00 H new ATOM 0 HA PHE A 97 -2.663 11.411 -4.540 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.706 10.173 -7.085 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.626 10.723 -5.698 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.912 13.158 -5.242 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.817 11.753 -8.737 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.020 15.436 -6.229 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.911 14.039 -9.712 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.026 15.874 -8.462 1.00 0.00 H new ATOM 215 N HIS A 98 -2.033 9.155 -3.637 1.00 0.00 N ATOM 216 CA HIS A 98 -1.756 7.830 -3.096 1.00 0.00 C ATOM 217 C HIS A 98 -3.030 7.119 -2.668 1.00 0.00 C ATOM 218 O HIS A 98 -3.995 7.738 -2.211 1.00 0.00 O ATOM 219 CB HIS A 98 -0.724 7.875 -1.962 1.00 0.00 C ATOM 220 CG HIS A 98 0.551 8.625 -2.260 1.00 0.00 C ATOM 221 ND1 HIS A 98 0.860 9.282 -3.447 1.00 0.00 N ATOM 222 CD2 HIS A 98 1.565 8.832 -1.373 1.00 0.00 C ATOM 223 CE1 HIS A 98 2.022 9.905 -3.235 1.00 0.00 C ATOM 224 NE2 HIS A 98 2.485 9.632 -2.006 1.00 0.00 N ATOM 0 H HIS A 98 -2.047 9.900 -2.941 1.00 0.00 H new ATOM 0 HA HIS A 98 -1.315 7.245 -3.903 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.193 8.327 -1.088 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -0.466 6.851 -1.691 1.00 0.00 H new ATOM 0 HD2 HIS A 98 1.632 8.443 -0.368 1.00 0.00 H new ATOM 0 HE1 HIS A 98 2.520 10.540 -3.953 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.366 9.961 -1.611 1.00 0.00 H new ATOM 232 N VAL A 99 -2.993 5.795 -2.754 1.00 0.00 N ATOM 233 CA VAL A 99 -4.075 4.887 -2.429 1.00 0.00 C ATOM 234 C VAL A 99 -3.549 3.808 -1.490 1.00 0.00 C ATOM 235 O VAL A 99 -2.378 3.431 -1.537 1.00 0.00 O ATOM 236 CB VAL A 99 -4.602 4.286 -3.755 1.00 0.00 C ATOM 237 CG1 VAL A 99 -5.651 3.179 -3.581 1.00 0.00 C ATOM 238 CG2 VAL A 99 -5.178 5.387 -4.654 1.00 0.00 C ATOM 0 H VAL A 99 -2.158 5.303 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.894 5.399 -1.923 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.733 3.820 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.963 2.817 -4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.221 2.356 -3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.515 3.577 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.543 4.946 -5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.001 5.883 -4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.400 6.116 -4.881 1.00 0.00 H new ATOM 248 N PHE A 100 -4.424 3.377 -0.596 1.00 0.00 N ATOM 249 CA PHE A 100 -4.295 2.344 0.408 1.00 0.00 C ATOM 250 C PHE A 100 -5.002 1.112 -0.137 1.00 0.00 C ATOM 251 O PHE A 100 -6.049 1.241 -0.778 1.00 0.00 O ATOM 252 CB PHE A 100 -4.983 2.818 1.703 1.00 0.00 C ATOM 253 CG PHE A 100 -5.411 1.690 2.627 1.00 0.00 C ATOM 254 CD1 PHE A 100 -4.555 1.111 3.582 1.00 0.00 C ATOM 255 CD2 PHE A 100 -6.705 1.162 2.446 1.00 0.00 C ATOM 256 CE1 PHE A 100 -5.006 0.012 4.343 1.00 0.00 C ATOM 257 CE2 PHE A 100 -7.159 0.085 3.215 1.00 0.00 C ATOM 258 CZ PHE A 100 -6.301 -0.509 4.151 1.00 0.00 C ATOM 0 H PHE A 100 -5.353 3.797 -0.556 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.251 2.123 0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.303 3.477 2.243 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -5.859 3.410 1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.561 1.505 3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.357 1.596 1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.353 -0.434 5.079 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.165 -0.287 3.088 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.632 -1.363 4.723 1.00 0.00 H new ATOM 268 N VAL A 101 -4.449 -0.062 0.144 1.00 0.00 N ATOM 269 CA VAL A 101 -4.985 -1.351 -0.254 1.00 0.00 C ATOM 270 C VAL A 101 -4.840 -2.248 0.981 1.00 0.00 C ATOM 271 O VAL A 101 -3.881 -2.087 1.736 1.00 0.00 O ATOM 272 CB VAL A 101 -4.261 -1.901 -1.502 1.00 0.00 C ATOM 273 CG1 VAL A 101 -5.042 -3.094 -2.068 1.00 0.00 C ATOM 274 CG2 VAL A 101 -4.102 -0.857 -2.624 1.00 0.00 C ATOM 0 H VAL A 101 -3.582 -0.141 0.676 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.030 -1.291 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.264 -2.193 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.529 -3.480 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.107 -3.878 -1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.046 -2.773 -2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.586 -1.309 -3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.086 -0.511 -2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.522 -0.011 -2.255 1.00 0.00 H new ATOM 284 N GLY A 102 -5.761 -3.183 1.213 1.00 0.00 N ATOM 285 CA GLY A 102 -5.712 -4.079 2.364 1.00 0.00 C ATOM 286 C GLY A 102 -6.258 -5.459 2.040 1.00 0.00 C ATOM 287 O GLY A 102 -6.815 -5.662 0.961 1.00 0.00 O ATOM 0 H GLY A 102 -6.564 -3.339 0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.682 -4.169 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.285 -3.646 3.184 1.00 0.00 H new ATOM 291 N ASP A 103 -6.124 -6.361 3.012 1.00 0.00 N ATOM 292 CA ASP A 103 -6.532 -7.772 3.026 1.00 0.00 C ATOM 293 C ASP A 103 -5.847 -8.636 1.958 1.00 0.00 C ATOM 294 O ASP A 103 -6.271 -9.748 1.644 1.00 0.00 O ATOM 295 CB ASP A 103 -8.062 -7.910 3.104 1.00 0.00 C ATOM 296 CG ASP A 103 -8.530 -9.251 3.691 1.00 0.00 C ATOM 297 OD1 ASP A 103 -7.750 -9.948 4.394 1.00 0.00 O ATOM 298 OD2 ASP A 103 -9.735 -9.569 3.564 1.00 0.00 O ATOM 0 H ASP A 103 -5.685 -6.101 3.895 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.150 -8.207 3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.461 -7.098 3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.480 -7.795 2.104 1.00 0.00 H new ATOM 303 N LEU A 104 -4.739 -8.132 1.415 1.00 0.00 N ATOM 304 CA LEU A 104 -3.936 -8.778 0.387 1.00 0.00 C ATOM 305 C LEU A 104 -3.428 -10.130 0.888 1.00 0.00 C ATOM 306 O LEU A 104 -2.930 -10.210 2.021 1.00 0.00 O ATOM 307 CB LEU A 104 -2.688 -7.928 0.082 1.00 0.00 C ATOM 308 CG LEU A 104 -2.896 -6.433 -0.233 1.00 0.00 C ATOM 309 CD1 LEU A 104 -1.581 -5.685 -0.008 1.00 0.00 C ATOM 310 CD2 LEU A 104 -3.342 -6.247 -1.680 1.00 0.00 C ATOM 0 H LEU A 104 -4.364 -7.225 1.694 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.561 -8.896 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.017 -8.000 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.174 -8.381 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.670 -6.038 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.722 -4.627 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.270 -5.800 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.813 -6.094 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.484 -5.186 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.580 -6.646 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.281 -6.776 -1.842 1.00 0.00 H new ATOM 322 N SER A 105 -3.504 -11.174 0.055 1.00 0.00 N ATOM 323 CA SER A 105 -2.994 -12.490 0.439 1.00 0.00 C ATOM 324 C SER A 105 -1.489 -12.314 0.724 1.00 0.00 C ATOM 325 O SER A 105 -0.848 -11.467 0.086 1.00 0.00 O ATOM 326 CB SER A 105 -3.287 -13.524 -0.663 1.00 0.00 C ATOM 327 OG SER A 105 -2.591 -14.724 -0.408 1.00 0.00 O ATOM 0 H SER A 105 -3.910 -11.132 -0.880 1.00 0.00 H new ATOM 0 HA SER A 105 -3.486 -12.875 1.332 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.358 -13.720 -0.711 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.992 -13.124 -1.633 1.00 0.00 H new ATOM 0 HG SER A 105 -2.535 -15.251 -1.232 1.00 0.00 H new ATOM 333 N PRO A 106 -0.871 -13.074 1.646 1.00 0.00 N ATOM 334 CA PRO A 106 0.551 -12.918 1.940 1.00 0.00 C ATOM 335 C PRO A 106 1.456 -13.197 0.733 1.00 0.00 C ATOM 336 O PRO A 106 2.622 -12.790 0.743 1.00 0.00 O ATOM 337 CB PRO A 106 0.827 -13.848 3.118 1.00 0.00 C ATOM 338 CG PRO A 106 -0.249 -14.921 2.982 1.00 0.00 C ATOM 339 CD PRO A 106 -1.446 -14.108 2.496 1.00 0.00 C ATOM 0 HA PRO A 106 0.785 -11.883 2.189 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.829 -14.275 3.067 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.753 -13.323 4.070 1.00 0.00 H new ATOM 0 HG2 PRO A 106 0.035 -15.696 2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.451 -15.419 3.930 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.149 -14.730 1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -1.995 -13.674 3.331 1.00 0.00 H new ATOM 347 N GLU A 107 0.955 -13.864 -0.306 1.00 0.00 N ATOM 348 CA GLU A 107 1.722 -14.159 -1.510 1.00 0.00 C ATOM 349 C GLU A 107 1.846 -12.907 -2.392 1.00 0.00 C ATOM 350 O GLU A 107 2.853 -12.740 -3.084 1.00 0.00 O ATOM 351 CB GLU A 107 1.048 -15.308 -2.276 1.00 0.00 C ATOM 352 CG GLU A 107 -0.274 -14.897 -2.945 1.00 0.00 C ATOM 353 CD GLU A 107 -1.140 -16.116 -3.227 1.00 0.00 C ATOM 354 OE1 GLU A 107 -0.948 -16.765 -4.282 1.00 0.00 O ATOM 355 OE2 GLU A 107 -1.984 -16.434 -2.365 1.00 0.00 O ATOM 0 H GLU A 107 -0.002 -14.216 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 107 2.729 -14.466 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.733 -15.679 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.859 -16.133 -1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.813 -14.204 -2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.067 -14.369 -3.876 1.00 0.00 H new ATOM 362 N ILE A 108 0.848 -12.014 -2.340 1.00 0.00 N ATOM 363 CA ILE A 108 0.773 -10.784 -3.114 1.00 0.00 C ATOM 364 C ILE A 108 1.990 -9.932 -2.806 1.00 0.00 C ATOM 365 O ILE A 108 2.195 -9.497 -1.667 1.00 0.00 O ATOM 366 CB ILE A 108 -0.584 -10.072 -2.892 1.00 0.00 C ATOM 367 CG1 ILE A 108 -1.763 -10.963 -3.355 1.00 0.00 C ATOM 368 CG2 ILE A 108 -0.615 -8.690 -3.567 1.00 0.00 C ATOM 369 CD1 ILE A 108 -1.665 -11.302 -4.849 1.00 0.00 C ATOM 0 H ILE A 108 0.041 -12.142 -1.729 1.00 0.00 H new ATOM 0 HA ILE A 108 0.801 -10.998 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.699 -9.906 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.774 -11.884 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.705 -10.451 -3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.582 -8.220 -3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.174 -8.064 -3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.459 -8.805 -4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.510 -11.928 -5.136 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.681 -10.382 -5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.735 -11.837 -5.040 1.00 0.00 H new ATOM 381 N THR A 109 2.806 -9.734 -3.830 1.00 0.00 N ATOM 382 CA THR A 109 4.033 -8.975 -3.780 1.00 0.00 C ATOM 383 C THR A 109 3.796 -7.570 -4.349 1.00 0.00 C ATOM 384 O THR A 109 2.714 -7.253 -4.846 1.00 0.00 O ATOM 385 CB THR A 109 5.100 -9.834 -4.477 1.00 0.00 C ATOM 386 OG1 THR A 109 6.374 -9.531 -3.966 1.00 0.00 O ATOM 387 CG2 THR A 109 5.128 -9.725 -6.000 1.00 0.00 C ATOM 0 H THR A 109 2.617 -10.117 -4.756 1.00 0.00 H new ATOM 0 HA THR A 109 4.397 -8.777 -2.772 1.00 0.00 H new ATOM 0 HB THR A 109 4.819 -10.864 -4.257 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.047 -10.084 -4.415 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.914 -10.368 -6.396 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.165 -10.037 -6.405 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.325 -8.692 -6.287 1.00 0.00 H new ATOM 395 N THR A 110 4.803 -6.701 -4.270 1.00 0.00 N ATOM 396 CA THR A 110 4.711 -5.331 -4.760 1.00 0.00 C ATOM 397 C THR A 110 4.353 -5.291 -6.254 1.00 0.00 C ATOM 398 O THR A 110 3.599 -4.410 -6.682 1.00 0.00 O ATOM 399 CB THR A 110 6.030 -4.630 -4.415 1.00 0.00 C ATOM 400 OG1 THR A 110 6.169 -4.562 -3.005 1.00 0.00 O ATOM 401 CG2 THR A 110 6.164 -3.225 -5.001 1.00 0.00 C ATOM 0 H THR A 110 5.709 -6.931 -3.862 1.00 0.00 H new ATOM 0 HA THR A 110 3.897 -4.793 -4.275 1.00 0.00 H new ATOM 0 HB THR A 110 6.821 -5.228 -4.867 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.012 -4.116 -2.781 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.124 -2.800 -4.710 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.104 -3.277 -6.088 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.359 -2.595 -4.623 1.00 0.00 H new ATOM 409 N GLU A 111 4.884 -6.241 -7.028 1.00 0.00 N ATOM 410 CA GLU A 111 4.654 -6.380 -8.460 1.00 0.00 C ATOM 411 C GLU A 111 3.204 -6.772 -8.719 1.00 0.00 C ATOM 412 O GLU A 111 2.566 -6.167 -9.570 1.00 0.00 O ATOM 413 CB GLU A 111 5.591 -7.439 -9.052 1.00 0.00 C ATOM 414 CG GLU A 111 7.061 -7.089 -8.808 1.00 0.00 C ATOM 415 CD GLU A 111 8.008 -8.036 -9.547 1.00 0.00 C ATOM 416 OE1 GLU A 111 7.777 -8.383 -10.724 1.00 0.00 O ATOM 417 OE2 GLU A 111 9.043 -8.433 -8.972 1.00 0.00 O ATOM 0 H GLU A 111 5.508 -6.958 -6.657 1.00 0.00 H new ATOM 0 HA GLU A 111 4.859 -5.423 -8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.369 -8.410 -8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.410 -7.528 -10.123 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.248 -6.065 -9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.270 -7.129 -7.739 1.00 0.00 H new ATOM 424 N ASP A 112 2.676 -7.725 -7.945 1.00 0.00 N ATOM 425 CA ASP A 112 1.296 -8.210 -8.057 1.00 0.00 C ATOM 426 C ASP A 112 0.335 -7.052 -7.900 1.00 0.00 C ATOM 427 O ASP A 112 -0.591 -6.894 -8.690 1.00 0.00 O ATOM 428 CB ASP A 112 0.961 -9.270 -7.008 1.00 0.00 C ATOM 429 CG ASP A 112 1.197 -10.673 -7.548 1.00 0.00 C ATOM 430 OD1 ASP A 112 2.380 -10.988 -7.799 1.00 0.00 O ATOM 431 OD2 ASP A 112 0.208 -11.416 -7.735 1.00 0.00 O ATOM 0 H ASP A 112 3.206 -8.190 -7.208 1.00 0.00 H new ATOM 0 HA ASP A 112 1.198 -8.667 -9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 112 1.572 -9.112 -6.119 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.080 -9.166 -6.701 1.00 0.00 H new ATOM 436 N ILE A 113 0.553 -6.228 -6.872 1.00 0.00 N ATOM 437 CA ILE A 113 -0.299 -5.074 -6.656 1.00 0.00 C ATOM 438 C ILE A 113 -0.191 -4.194 -7.894 1.00 0.00 C ATOM 439 O ILE A 113 -1.219 -3.765 -8.414 1.00 0.00 O ATOM 440 CB ILE A 113 0.121 -4.303 -5.406 1.00 0.00 C ATOM 441 CG1 ILE A 113 -0.081 -5.156 -4.142 1.00 0.00 C ATOM 442 CG2 ILE A 113 -0.650 -2.976 -5.327 1.00 0.00 C ATOM 443 CD1 ILE A 113 0.030 -4.324 -2.867 1.00 0.00 C ATOM 0 H ILE A 113 1.303 -6.342 -6.190 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.330 -5.391 -6.497 1.00 0.00 H new ATOM 0 HB ILE A 113 1.185 -4.074 -5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.060 -5.633 -4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.662 -5.954 -4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.346 -2.431 -4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.432 -2.375 -6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.720 -3.179 -5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.119 -4.966 -1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.019 -3.868 -2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.730 -3.543 -2.875 1.00 0.00 H new ATOM 455 N LYS A 114 1.028 -3.867 -8.345 1.00 0.00 N ATOM 456 CA LYS A 114 1.147 -3.045 -9.537 1.00 0.00 C ATOM 457 C LYS A 114 0.340 -3.653 -10.681 1.00 0.00 C ATOM 458 O LYS A 114 -0.432 -2.921 -11.279 1.00 0.00 O ATOM 459 CB LYS A 114 2.606 -2.814 -9.918 1.00 0.00 C ATOM 460 CG LYS A 114 3.176 -1.648 -9.110 1.00 0.00 C ATOM 461 CD LYS A 114 4.640 -1.413 -9.471 1.00 0.00 C ATOM 462 CE LYS A 114 5.563 -2.137 -8.497 1.00 0.00 C ATOM 463 NZ LYS A 114 6.943 -2.137 -9.010 1.00 0.00 N ATOM 0 H LYS A 114 1.909 -4.150 -7.916 1.00 0.00 H new ATOM 0 HA LYS A 114 0.729 -2.062 -9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.187 -3.717 -9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.683 -2.601 -10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.598 -0.745 -9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.087 -1.859 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.829 -1.763 -10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.855 -0.345 -9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.529 -1.650 -7.522 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.221 -3.162 -8.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.563 -2.633 -8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.971 -2.621 -9.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.271 -1.157 -9.125 1.00 0.00 H new ATOM 477 N ALA A 115 0.462 -4.951 -10.957 1.00 0.00 N ATOM 478 CA ALA A 115 -0.275 -5.631 -12.014 1.00 0.00 C ATOM 479 C ALA A 115 -1.793 -5.498 -11.823 1.00 0.00 C ATOM 480 O ALA A 115 -2.523 -5.389 -12.811 1.00 0.00 O ATOM 481 CB ALA A 115 0.143 -7.103 -12.057 1.00 0.00 C ATOM 0 H ALA A 115 1.089 -5.568 -10.441 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.032 -5.158 -12.966 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.407 -7.614 -12.847 1.00 0.00 H new ATOM 0 HB2 ALA A 115 1.212 -7.172 -12.256 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.079 -7.572 -11.098 1.00 0.00 H new ATOM 487 N ALA A 116 -2.283 -5.485 -10.583 1.00 0.00 N ATOM 488 CA ALA A 116 -3.697 -5.351 -10.261 1.00 0.00 C ATOM 489 C ALA A 116 -4.202 -3.932 -10.532 1.00 0.00 C ATOM 490 O ALA A 116 -5.251 -3.766 -11.143 1.00 0.00 O ATOM 491 CB ALA A 116 -3.922 -5.719 -8.797 1.00 0.00 C ATOM 0 H ALA A 116 -1.690 -5.570 -9.757 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.260 -6.029 -10.902 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.980 -5.619 -8.555 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.607 -6.749 -8.628 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.340 -5.052 -8.161 1.00 0.00 H new ATOM 497 N PHE A 117 -3.466 -2.897 -10.110 1.00 0.00 N ATOM 498 CA PHE A 117 -3.865 -1.506 -10.302 1.00 0.00 C ATOM 499 C PHE A 117 -3.398 -0.921 -11.653 1.00 0.00 C ATOM 500 O PHE A 117 -3.760 0.204 -11.999 1.00 0.00 O ATOM 501 CB PHE A 117 -3.386 -0.711 -9.075 1.00 0.00 C ATOM 502 CG PHE A 117 -4.173 -1.054 -7.812 1.00 0.00 C ATOM 503 CD1 PHE A 117 -3.901 -2.222 -7.074 1.00 0.00 C ATOM 504 CD2 PHE A 117 -5.250 -0.243 -7.415 1.00 0.00 C ATOM 505 CE1 PHE A 117 -4.711 -2.597 -5.991 1.00 0.00 C ATOM 506 CE2 PHE A 117 -6.061 -0.605 -6.324 1.00 0.00 C ATOM 507 CZ PHE A 117 -5.799 -1.794 -5.622 1.00 0.00 C ATOM 0 H PHE A 117 -2.575 -3.006 -9.625 1.00 0.00 H new ATOM 0 HA PHE A 117 -4.951 -1.436 -10.369 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.328 -0.912 -8.906 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.479 0.356 -9.278 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -3.057 -2.838 -7.345 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -5.458 0.669 -7.954 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -4.496 -3.503 -5.443 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.883 0.029 -6.027 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.435 -2.088 -4.800 1.00 0.00 H new ATOM 517 N ALA A 118 -2.629 -1.673 -12.441 1.00 0.00 N ATOM 518 CA ALA A 118 -2.066 -1.317 -13.744 1.00 0.00 C ATOM 519 C ALA A 118 -3.108 -1.005 -14.829 1.00 0.00 C ATOM 520 O ALA A 118 -2.933 0.004 -15.518 1.00 0.00 O ATOM 521 CB ALA A 118 -1.106 -2.415 -14.219 1.00 0.00 C ATOM 0 H ALA A 118 -2.363 -2.618 -12.164 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.526 -0.383 -13.589 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.692 -2.141 -15.189 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -0.297 -2.528 -13.498 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.646 -3.357 -14.308 1.00 0.00 H new ATOM 527 N PRO A 119 -4.190 -1.783 -15.030 1.00 0.00 N ATOM 528 CA PRO A 119 -5.175 -1.459 -16.057 1.00 0.00 C ATOM 529 C PRO A 119 -5.987 -0.200 -15.717 1.00 0.00 C ATOM 530 O PRO A 119 -6.785 0.259 -16.541 1.00 0.00 O ATOM 531 CB PRO A 119 -6.057 -2.693 -16.191 1.00 0.00 C ATOM 532 CG PRO A 119 -5.960 -3.384 -14.839 1.00 0.00 C ATOM 533 CD PRO A 119 -4.566 -3.012 -14.344 1.00 0.00 C ATOM 0 HA PRO A 119 -4.687 -1.219 -17.001 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -7.086 -2.421 -16.424 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.710 -3.343 -16.994 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.734 -3.036 -14.155 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -6.078 -4.464 -14.931 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -4.565 -2.867 -13.264 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -3.854 -3.809 -14.560 1.00 0.00 H new ATOM 541 N PHE A 120 -5.747 0.428 -14.563 1.00 0.00 N ATOM 542 CA PHE A 120 -6.477 1.633 -14.175 1.00 0.00 C ATOM 543 C PHE A 120 -5.677 2.895 -14.483 1.00 0.00 C ATOM 544 O PHE A 120 -6.257 3.979 -14.477 1.00 0.00 O ATOM 545 CB PHE A 120 -6.885 1.562 -12.700 1.00 0.00 C ATOM 546 CG PHE A 120 -7.807 0.394 -12.424 1.00 0.00 C ATOM 547 CD1 PHE A 120 -9.200 0.548 -12.551 1.00 0.00 C ATOM 548 CD2 PHE A 120 -7.270 -0.873 -12.130 1.00 0.00 C ATOM 549 CE1 PHE A 120 -10.049 -0.558 -12.378 1.00 0.00 C ATOM 550 CE2 PHE A 120 -8.117 -1.975 -11.956 1.00 0.00 C ATOM 551 CZ PHE A 120 -9.506 -1.816 -12.069 1.00 0.00 C ATOM 0 H PHE A 120 -5.052 0.120 -13.882 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.388 1.686 -14.771 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -5.992 1.474 -12.081 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.380 2.490 -12.415 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -9.617 1.517 -12.782 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -6.201 -0.996 -12.038 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -11.118 -0.441 -12.482 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.701 -2.947 -11.735 1.00 0.00 H new ATOM 0 HZ PHE A 120 -10.159 -2.663 -11.918 1.00 0.00 H new ATOM 561 N GLY A 121 -4.398 2.782 -14.860 1.00 0.00 N ATOM 562 CA GLY A 121 -3.595 3.944 -15.165 1.00 0.00 C ATOM 563 C GLY A 121 -2.113 3.670 -14.982 1.00 0.00 C ATOM 564 O GLY A 121 -1.647 2.540 -15.156 1.00 0.00 O ATOM 0 H GLY A 121 -3.908 1.893 -14.957 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.783 4.256 -16.192 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.894 4.771 -14.521 1.00 0.00 H new ATOM 568 N ARG A 122 -1.353 4.735 -14.746 1.00 0.00 N ATOM 569 CA ARG A 122 0.080 4.672 -14.517 1.00 0.00 C ATOM 570 C ARG A 122 0.383 4.758 -13.029 1.00 0.00 C ATOM 571 O ARG A 122 -0.122 5.650 -12.343 1.00 0.00 O ATOM 572 CB ARG A 122 0.766 5.803 -15.276 1.00 0.00 C ATOM 573 CG ARG A 122 1.131 5.321 -16.667 1.00 0.00 C ATOM 574 CD ARG A 122 1.942 6.378 -17.414 1.00 0.00 C ATOM 575 NE ARG A 122 3.242 6.648 -16.777 1.00 0.00 N ATOM 576 CZ ARG A 122 3.786 7.845 -16.544 1.00 0.00 C ATOM 577 NH1 ARG A 122 3.165 8.967 -16.899 1.00 0.00 N ATOM 578 NH2 ARG A 122 4.965 7.908 -15.943 1.00 0.00 N ATOM 0 H ARG A 122 -1.727 5.683 -14.709 1.00 0.00 H new ATOM 0 HA ARG A 122 0.462 3.719 -14.883 1.00 0.00 H new ATOM 0 HB2 ARG A 122 0.105 6.668 -15.340 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.661 6.124 -14.743 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.706 4.398 -16.597 1.00 0.00 H new ATOM 0 HG3 ARG A 122 0.224 5.090 -17.226 1.00 0.00 H new ATOM 0 HD2 ARG A 122 2.106 6.047 -18.440 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.367 7.303 -17.465 1.00 0.00 H new ATOM 0 HE ARG A 122 3.784 5.835 -16.483 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.255 8.923 -17.359 1.00 0.00 H new ATOM 0 HH12 ARG A 122 3.598 9.871 -16.712 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.443 7.050 -15.666 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.395 8.814 -15.757 1.00 0.00 H new ATOM 592 N ILE A 123 1.220 3.843 -12.553 1.00 0.00 N ATOM 593 CA ILE A 123 1.672 3.741 -11.175 1.00 0.00 C ATOM 594 C ILE A 123 3.070 4.329 -11.074 1.00 0.00 C ATOM 595 O ILE A 123 3.940 4.006 -11.892 1.00 0.00 O ATOM 596 CB ILE A 123 1.627 2.285 -10.653 1.00 0.00 C ATOM 597 CG1 ILE A 123 0.302 1.614 -11.079 1.00 0.00 C ATOM 598 CG2 ILE A 123 1.861 2.284 -9.129 1.00 0.00 C ATOM 599 CD1 ILE A 123 -0.026 0.262 -10.467 1.00 0.00 C ATOM 0 H ILE A 123 1.620 3.118 -13.149 1.00 0.00 H new ATOM 0 HA ILE A 123 0.993 4.308 -10.538 1.00 0.00 H new ATOM 0 HB ILE A 123 2.425 1.688 -11.096 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.513 2.298 -10.842 1.00 0.00 H new ATOM 0 HG13 ILE A 123 0.316 1.499 -12.163 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.830 1.260 -8.757 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.836 2.720 -8.910 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.083 2.871 -8.641 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.982 -0.090 -10.854 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.755 -0.453 -10.724 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.087 0.358 -9.383 1.00 0.00 H new ATOM 611 N SER A 124 3.285 5.164 -10.060 1.00 0.00 N ATOM 612 CA SER A 124 4.560 5.803 -9.796 1.00 0.00 C ATOM 613 C SER A 124 5.247 5.009 -8.683 1.00 0.00 C ATOM 614 O SER A 124 6.324 4.454 -8.905 1.00 0.00 O ATOM 615 CB SER A 124 4.358 7.300 -9.519 1.00 0.00 C ATOM 616 OG SER A 124 3.384 7.598 -8.539 1.00 0.00 O ATOM 0 H SER A 124 2.560 5.417 -9.389 1.00 0.00 H new ATOM 0 HA SER A 124 5.227 5.785 -10.658 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.310 7.728 -9.206 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.078 7.792 -10.450 1.00 0.00 H new ATOM 0 HG SER A 124 3.042 8.505 -8.683 1.00 0.00 H new ATOM 622 N ASP A 125 4.767 5.131 -7.446 1.00 0.00 N ATOM 623 CA ASP A 125 5.244 4.416 -6.253 1.00 0.00 C ATOM 624 C ASP A 125 4.257 3.295 -5.914 1.00 0.00 C ATOM 625 O ASP A 125 3.062 3.451 -6.167 1.00 0.00 O ATOM 626 CB ASP A 125 5.462 5.380 -5.080 1.00 0.00 C ATOM 627 CG ASP A 125 6.240 4.790 -3.904 1.00 0.00 C ATOM 628 OD1 ASP A 125 6.815 3.683 -3.997 1.00 0.00 O ATOM 629 OD2 ASP A 125 6.407 5.522 -2.897 1.00 0.00 O ATOM 0 H ASP A 125 3.995 5.763 -7.233 1.00 0.00 H new ATOM 0 HA ASP A 125 6.215 3.966 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.993 6.260 -5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.490 5.720 -4.721 1.00 0.00 H new ATOM 634 N ALA A 126 4.716 2.184 -5.340 1.00 0.00 N ATOM 635 CA ALA A 126 3.891 1.046 -4.944 1.00 0.00 C ATOM 636 C ALA A 126 4.697 0.152 -4.002 1.00 0.00 C ATOM 637 O ALA A 126 5.894 -0.060 -4.252 1.00 0.00 O ATOM 638 CB ALA A 126 3.490 0.244 -6.189 1.00 0.00 C ATOM 0 H ALA A 126 5.705 2.048 -5.131 1.00 0.00 H new ATOM 0 HA ALA A 126 2.992 1.401 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 126 2.874 -0.605 -5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 126 2.924 0.883 -6.867 1.00 0.00 H new ATOM 0 HB3 ALA A 126 4.386 -0.117 -6.694 1.00 0.00 H new ATOM 644 N ARG A 127 4.092 -0.334 -2.911 1.00 0.00 N ATOM 645 CA ARG A 127 4.761 -1.232 -1.970 1.00 0.00 C ATOM 646 C ARG A 127 3.772 -1.995 -1.103 1.00 0.00 C ATOM 647 O ARG A 127 2.724 -1.465 -0.727 1.00 0.00 O ATOM 648 CB ARG A 127 5.758 -0.472 -1.063 1.00 0.00 C ATOM 649 CG ARG A 127 5.154 0.195 0.189 1.00 0.00 C ATOM 650 CD ARG A 127 6.198 0.979 0.988 1.00 0.00 C ATOM 651 NE ARG A 127 7.260 0.116 1.537 1.00 0.00 N ATOM 652 CZ ARG A 127 8.562 0.121 1.224 1.00 0.00 C ATOM 653 NH1 ARG A 127 9.062 0.917 0.287 1.00 0.00 N ATOM 654 NH2 ARG A 127 9.393 -0.698 1.855 1.00 0.00 N ATOM 0 H ARG A 127 3.128 -0.115 -2.659 1.00 0.00 H new ATOM 0 HA ARG A 127 5.312 -1.949 -2.579 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.532 -1.169 -0.742 1.00 0.00 H new ATOM 0 HB3 ARG A 127 6.249 0.297 -1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.350 0.867 -0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 127 4.710 -0.569 0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 127 6.647 1.737 0.346 1.00 0.00 H new ATOM 0 HD3 ARG A 127 5.704 1.505 1.805 1.00 0.00 H new ATOM 0 HE ARG A 127 6.969 -0.565 2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 127 8.449 1.553 -0.222 1.00 0.00 H new ATOM 0 HH12 ARG A 127 10.060 0.893 0.076 1.00 0.00 H new ATOM 0 HH21 ARG A 127 9.039 -1.328 2.575 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.386 -0.698 1.620 1.00 0.00 H new ATOM 668 N VAL A 128 4.142 -3.218 -0.739 1.00 0.00 N ATOM 669 CA VAL A 128 3.369 -4.071 0.150 1.00 0.00 C ATOM 670 C VAL A 128 3.943 -3.744 1.524 1.00 0.00 C ATOM 671 O VAL A 128 5.164 -3.856 1.709 1.00 0.00 O ATOM 672 CB VAL A 128 3.580 -5.563 -0.178 1.00 0.00 C ATOM 673 CG1 VAL A 128 3.025 -6.464 0.933 1.00 0.00 C ATOM 674 CG2 VAL A 128 2.889 -5.959 -1.479 1.00 0.00 C ATOM 0 H VAL A 128 5.007 -3.651 -1.062 1.00 0.00 H new ATOM 0 HA VAL A 128 2.295 -3.900 0.071 1.00 0.00 H new ATOM 0 HB VAL A 128 4.657 -5.700 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 128 3.190 -7.509 0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.534 -6.241 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 128 1.956 -6.283 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.061 -7.017 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.818 -5.776 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.293 -5.367 -2.300 1.00 0.00 H new ATOM 684 N VAL A 129 3.122 -3.254 2.454 1.00 0.00 N ATOM 685 CA VAL A 129 3.601 -2.953 3.791 1.00 0.00 C ATOM 686 C VAL A 129 3.978 -4.287 4.426 1.00 0.00 C ATOM 687 O VAL A 129 3.281 -5.299 4.284 1.00 0.00 O ATOM 688 CB VAL A 129 2.557 -2.215 4.650 1.00 0.00 C ATOM 689 CG1 VAL A 129 3.162 -1.902 6.026 1.00 0.00 C ATOM 690 CG2 VAL A 129 2.103 -0.915 3.977 1.00 0.00 C ATOM 0 H VAL A 129 2.132 -3.061 2.302 1.00 0.00 H new ATOM 0 HA VAL A 129 4.454 -2.277 3.731 1.00 0.00 H new ATOM 0 HB VAL A 129 1.685 -2.859 4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.426 -1.380 6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.448 -2.832 6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 129 4.043 -1.272 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.366 -0.417 4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.962 -0.259 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.657 -1.143 3.009 1.00 0.00 H new ATOM 700 N LYS A 130 5.107 -4.295 5.117 1.00 0.00 N ATOM 701 CA LYS A 130 5.629 -5.454 5.808 1.00 0.00 C ATOM 702 C LYS A 130 6.107 -4.978 7.164 1.00 0.00 C ATOM 703 O LYS A 130 6.286 -3.775 7.369 1.00 0.00 O ATOM 704 CB LYS A 130 6.777 -6.055 5.001 1.00 0.00 C ATOM 705 CG LYS A 130 6.330 -6.785 3.721 1.00 0.00 C ATOM 706 CD LYS A 130 7.507 -6.821 2.764 1.00 0.00 C ATOM 707 CE LYS A 130 7.308 -7.699 1.529 1.00 0.00 C ATOM 708 NZ LYS A 130 8.538 -7.731 0.708 1.00 0.00 N ATOM 0 H LYS A 130 5.699 -3.470 5.213 1.00 0.00 H new ATOM 0 HA LYS A 130 4.871 -6.228 5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 130 7.471 -5.260 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 130 7.324 -6.754 5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 130 5.999 -7.797 3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.484 -6.271 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 130 7.722 -5.804 2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 130 8.385 -7.174 3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.042 -8.711 1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.478 -7.317 0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 8.383 -8.332 -0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 8.775 -6.766 0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.322 -8.117 1.272 1.00 0.00 H new ATOM 722 N ASP A 131 6.265 -5.892 8.114 1.00 0.00 N ATOM 723 CA ASP A 131 6.736 -5.486 9.432 1.00 0.00 C ATOM 724 C ASP A 131 8.176 -5.006 9.281 1.00 0.00 C ATOM 725 O ASP A 131 8.969 -5.618 8.558 1.00 0.00 O ATOM 726 CB ASP A 131 6.688 -6.630 10.450 1.00 0.00 C ATOM 727 CG ASP A 131 6.739 -6.116 11.894 1.00 0.00 C ATOM 728 OD1 ASP A 131 7.504 -5.167 12.168 1.00 0.00 O ATOM 729 OD2 ASP A 131 6.005 -6.635 12.760 1.00 0.00 O ATOM 0 H ASP A 131 6.081 -6.889 8.003 1.00 0.00 H new ATOM 0 HA ASP A 131 6.083 -4.698 9.808 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.776 -7.208 10.303 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.525 -7.306 10.276 1.00 0.00 H new ATOM 734 N MET A 132 8.521 -3.889 9.907 1.00 0.00 N ATOM 735 CA MET A 132 9.872 -3.354 9.873 1.00 0.00 C ATOM 736 C MET A 132 10.822 -4.272 10.662 1.00 0.00 C ATOM 737 O MET A 132 12.033 -4.188 10.479 1.00 0.00 O ATOM 738 CB MET A 132 9.872 -1.917 10.409 1.00 0.00 C ATOM 739 CG MET A 132 9.361 -1.791 11.849 1.00 0.00 C ATOM 740 SD MET A 132 9.236 -0.089 12.448 1.00 0.00 S ATOM 741 CE MET A 132 7.860 0.524 11.438 1.00 0.00 C ATOM 0 H MET A 132 7.868 -3.328 10.454 1.00 0.00 H new ATOM 0 HA MET A 132 10.234 -3.322 8.845 1.00 0.00 H new ATOM 0 HB2 MET A 132 10.886 -1.521 10.358 1.00 0.00 H new ATOM 0 HB3 MET A 132 9.254 -1.297 9.759 1.00 0.00 H new ATOM 0 HG2 MET A 132 8.380 -2.260 11.916 1.00 0.00 H new ATOM 0 HG3 MET A 132 10.027 -2.348 12.508 1.00 0.00 H new ATOM 0 HE1 MET A 132 7.485 1.456 11.861 1.00 0.00 H new ATOM 0 HE2 MET A 132 8.207 0.702 10.420 1.00 0.00 H new ATOM 0 HE3 MET A 132 7.060 -0.217 11.425 1.00 0.00 H new ATOM 751 N ALA A 133 10.292 -5.196 11.475 1.00 0.00 N ATOM 752 CA ALA A 133 11.034 -6.138 12.302 1.00 0.00 C ATOM 753 C ALA A 133 11.024 -7.587 11.807 1.00 0.00 C ATOM 754 O ALA A 133 11.700 -8.427 12.404 1.00 0.00 O ATOM 755 CB ALA A 133 10.415 -6.109 13.693 1.00 0.00 C ATOM 0 H ALA A 133 9.283 -5.306 11.574 1.00 0.00 H new ATOM 0 HA ALA A 133 12.077 -5.821 12.277 1.00 0.00 H new ATOM 0 HB1 ALA A 133 10.947 -6.805 14.342 1.00 0.00 H new ATOM 0 HB2 ALA A 133 10.488 -5.102 14.103 1.00 0.00 H new ATOM 0 HB3 ALA A 133 9.366 -6.400 13.631 1.00 0.00 H new ATOM 761 N THR A 134 10.258 -7.920 10.766 1.00 0.00 N ATOM 762 CA THR A 134 10.201 -9.295 10.254 1.00 0.00 C ATOM 763 C THR A 134 10.242 -9.346 8.734 1.00 0.00 C ATOM 764 O THR A 134 10.625 -10.358 8.153 1.00 0.00 O ATOM 765 CB THR A 134 8.931 -10.028 10.748 1.00 0.00 C ATOM 766 OG1 THR A 134 7.796 -9.607 10.013 1.00 0.00 O ATOM 767 CG2 THR A 134 8.619 -9.830 12.231 1.00 0.00 C ATOM 0 H THR A 134 9.669 -7.259 10.260 1.00 0.00 H new ATOM 0 HA THR A 134 11.086 -9.798 10.642 1.00 0.00 H new ATOM 0 HB THR A 134 9.148 -11.085 10.593 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.002 -10.081 10.337 1.00 0.00 H new ATOM 0 HG21 THR A 134 7.713 -10.379 12.489 1.00 0.00 H new ATOM 0 HG22 THR A 134 9.451 -10.200 12.830 1.00 0.00 H new ATOM 0 HG23 THR A 134 8.470 -8.769 12.433 1.00 0.00 H new ATOM 775 N GLY A 135 9.849 -8.259 8.069 1.00 0.00 N ATOM 776 CA GLY A 135 9.808 -8.209 6.621 1.00 0.00 C ATOM 777 C GLY A 135 8.641 -9.044 6.079 1.00 0.00 C ATOM 778 O GLY A 135 8.541 -9.187 4.860 1.00 0.00 O ATOM 0 H GLY A 135 9.553 -7.395 8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.705 -7.175 6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 135 10.748 -8.582 6.213 1.00 0.00 H new ATOM 782 N LYS A 136 7.777 -9.617 6.929 1.00 0.00 N ATOM 783 CA LYS A 136 6.640 -10.415 6.480 1.00 0.00 C ATOM 784 C LYS A 136 5.506 -9.470 6.103 1.00 0.00 C ATOM 785 O LYS A 136 5.417 -8.370 6.652 1.00 0.00 O ATOM 786 CB LYS A 136 6.187 -11.381 7.578 1.00 0.00 C ATOM 787 CG LYS A 136 7.274 -12.395 7.969 1.00 0.00 C ATOM 788 CD LYS A 136 6.727 -13.454 8.936 1.00 0.00 C ATOM 789 CE LYS A 136 7.847 -14.432 9.297 1.00 0.00 C ATOM 790 NZ LYS A 136 7.345 -15.768 9.681 1.00 0.00 N ATOM 0 H LYS A 136 7.851 -9.537 7.943 1.00 0.00 H new ATOM 0 HA LYS A 136 6.931 -11.011 5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 136 5.896 -10.810 8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.301 -11.918 7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.659 -12.882 7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.111 -11.873 8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 136 6.341 -12.977 9.836 1.00 0.00 H new ATOM 0 HD3 LYS A 136 5.895 -13.988 8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.521 -14.534 8.447 1.00 0.00 H new ATOM 0 HE3 LYS A 136 8.431 -14.019 10.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 8.148 -16.387 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.723 -15.680 10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 6.810 -16.179 8.889 1.00 0.00 H new ATOM 804 N SER A 137 4.660 -9.883 5.162 1.00 0.00 N ATOM 805 CA SER A 137 3.526 -9.114 4.660 1.00 0.00 C ATOM 806 C SER A 137 2.590 -8.716 5.808 1.00 0.00 C ATOM 807 O SER A 137 2.056 -9.590 6.499 1.00 0.00 O ATOM 808 CB SER A 137 2.808 -9.972 3.594 1.00 0.00 C ATOM 809 OG SER A 137 1.416 -9.734 3.472 1.00 0.00 O ATOM 0 H SER A 137 4.749 -10.794 4.713 1.00 0.00 H new ATOM 0 HA SER A 137 3.863 -8.183 4.204 1.00 0.00 H new ATOM 0 HB2 SER A 137 3.278 -9.792 2.627 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.962 -11.024 3.832 1.00 0.00 H new ATOM 0 HG SER A 137 1.163 -9.749 2.525 1.00 0.00 H new ATOM 815 N LYS A 138 2.376 -7.407 6.018 1.00 0.00 N ATOM 816 CA LYS A 138 1.469 -6.956 7.080 1.00 0.00 C ATOM 817 C LYS A 138 0.019 -7.270 6.725 1.00 0.00 C ATOM 818 O LYS A 138 -0.770 -7.560 7.626 1.00 0.00 O ATOM 819 CB LYS A 138 1.577 -5.454 7.392 1.00 0.00 C ATOM 820 CG LYS A 138 2.706 -5.151 8.385 1.00 0.00 C ATOM 821 CD LYS A 138 2.410 -3.897 9.212 1.00 0.00 C ATOM 822 CE LYS A 138 3.549 -3.644 10.197 1.00 0.00 C ATOM 823 NZ LYS A 138 3.250 -2.537 11.124 1.00 0.00 N ATOM 0 H LYS A 138 2.809 -6.658 5.478 1.00 0.00 H new ATOM 0 HA LYS A 138 1.779 -7.504 7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 138 1.751 -4.904 6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 138 0.631 -5.100 7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 138 2.843 -6.003 9.051 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.642 -5.017 7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.289 -3.037 8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 138 1.471 -4.020 9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 138 3.741 -4.552 10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.461 -3.416 9.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 4.051 -2.402 11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 3.093 -1.663 10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 2.395 -2.764 11.671 1.00 0.00 H new ATOM 837 N GLY A 139 -0.328 -7.180 5.441 1.00 0.00 N ATOM 838 CA GLY A 139 -1.657 -7.418 4.895 1.00 0.00 C ATOM 839 C GLY A 139 -2.098 -6.237 4.034 1.00 0.00 C ATOM 840 O GLY A 139 -2.904 -6.406 3.121 1.00 0.00 O ATOM 0 H GLY A 139 0.347 -6.926 4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -1.654 -8.330 4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -2.369 -7.570 5.707 1.00 0.00 H new ATOM 844 N TYR A 140 -1.627 -5.024 4.346 1.00 0.00 N ATOM 845 CA TYR A 140 -1.938 -3.806 3.618 1.00 0.00 C ATOM 846 C TYR A 140 -0.794 -3.389 2.699 1.00 0.00 C ATOM 847 O TYR A 140 0.329 -3.886 2.808 1.00 0.00 O ATOM 848 CB TYR A 140 -2.458 -2.716 4.574 1.00 0.00 C ATOM 849 CG TYR A 140 -1.610 -2.366 5.788 1.00 0.00 C ATOM 850 CD1 TYR A 140 -1.654 -3.163 6.950 1.00 0.00 C ATOM 851 CD2 TYR A 140 -0.849 -1.182 5.790 1.00 0.00 C ATOM 852 CE1 TYR A 140 -0.927 -2.792 8.097 1.00 0.00 C ATOM 853 CE2 TYR A 140 -0.125 -0.805 6.935 1.00 0.00 C ATOM 854 CZ TYR A 140 -0.162 -1.606 8.096 1.00 0.00 C ATOM 855 OH TYR A 140 0.507 -1.228 9.220 1.00 0.00 O ATOM 0 H TYR A 140 -1.001 -4.867 5.136 1.00 0.00 H new ATOM 0 HA TYR A 140 -2.764 -3.994 2.933 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.603 -1.805 3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.440 -3.026 4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -2.249 -4.064 6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -0.821 -0.560 4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -0.955 -3.415 8.978 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.462 0.102 6.926 1.00 0.00 H new ATOM 0 HH TYR A 140 0.985 -0.390 9.050 1.00 0.00 H new ATOM 865 N GLY A 141 -1.070 -2.461 1.791 1.00 0.00 N ATOM 866 CA GLY A 141 -0.127 -1.914 0.835 1.00 0.00 C ATOM 867 C GLY A 141 -0.523 -0.488 0.462 1.00 0.00 C ATOM 868 O GLY A 141 -1.591 0.001 0.848 1.00 0.00 O ATOM 0 H GLY A 141 -2.001 -2.054 1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 141 0.877 -1.921 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -0.101 -2.538 -0.059 1.00 0.00 H new ATOM 872 N PHE A 142 0.368 0.189 -0.262 1.00 0.00 N ATOM 873 CA PHE A 142 0.184 1.539 -0.762 1.00 0.00 C ATOM 874 C PHE A 142 0.504 1.551 -2.259 1.00 0.00 C ATOM 875 O PHE A 142 1.331 0.760 -2.724 1.00 0.00 O ATOM 876 CB PHE A 142 1.089 2.530 -0.015 1.00 0.00 C ATOM 877 CG PHE A 142 0.686 2.831 1.417 1.00 0.00 C ATOM 878 CD1 PHE A 142 -0.569 3.413 1.681 1.00 0.00 C ATOM 879 CD2 PHE A 142 1.579 2.592 2.481 1.00 0.00 C ATOM 880 CE1 PHE A 142 -0.926 3.767 2.993 1.00 0.00 C ATOM 881 CE2 PHE A 142 1.226 2.953 3.794 1.00 0.00 C ATOM 882 CZ PHE A 142 -0.022 3.552 4.046 1.00 0.00 C ATOM 0 H PHE A 142 1.270 -0.209 -0.523 1.00 0.00 H new ATOM 0 HA PHE A 142 -0.848 1.848 -0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 142 2.105 2.136 -0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 142 1.111 3.466 -0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.261 3.588 0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 142 2.536 2.131 2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -1.894 4.204 3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 142 1.912 2.771 4.608 1.00 0.00 H new ATOM 0 HZ PHE A 142 -0.285 3.847 5.051 1.00 0.00 H new ATOM 892 N VAL A 143 -0.144 2.440 -3.007 1.00 0.00 N ATOM 893 CA VAL A 143 0.005 2.673 -4.443 1.00 0.00 C ATOM 894 C VAL A 143 -0.003 4.215 -4.603 1.00 0.00 C ATOM 895 O VAL A 143 -0.447 4.927 -3.696 1.00 0.00 O ATOM 896 CB VAL A 143 -1.096 1.899 -5.229 1.00 0.00 C ATOM 897 CG1 VAL A 143 -0.928 2.013 -6.741 1.00 0.00 C ATOM 898 CG2 VAL A 143 -1.111 0.386 -4.943 1.00 0.00 C ATOM 0 H VAL A 143 -0.839 3.063 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 143 0.931 2.287 -4.869 1.00 0.00 H new ATOM 0 HB VAL A 143 -2.018 2.369 -4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -1.722 1.455 -7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -0.982 3.061 -7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 143 0.040 1.604 -7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -1.903 -0.086 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -0.150 -0.046 -5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -1.292 0.218 -3.881 1.00 0.00 H new ATOM 908 N SER A 144 0.507 4.766 -5.703 1.00 0.00 N ATOM 909 CA SER A 144 0.580 6.192 -6.015 1.00 0.00 C ATOM 910 C SER A 144 0.322 6.354 -7.509 1.00 0.00 C ATOM 911 O SER A 144 0.932 5.644 -8.313 1.00 0.00 O ATOM 912 CB SER A 144 1.961 6.700 -5.594 1.00 0.00 C ATOM 913 OG SER A 144 2.277 7.988 -6.068 1.00 0.00 O ATOM 0 H SER A 144 0.905 4.192 -6.447 1.00 0.00 H new ATOM 0 HA SER A 144 -0.166 6.779 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 144 2.017 6.703 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 144 2.716 6.000 -5.950 1.00 0.00 H new ATOM 0 HG SER A 144 2.740 7.915 -6.929 1.00 0.00 H new ATOM 919 N PHE A 145 -0.577 7.263 -7.885 1.00 0.00 N ATOM 920 CA PHE A 145 -0.959 7.544 -9.263 1.00 0.00 C ATOM 921 C PHE A 145 -0.574 8.976 -9.612 1.00 0.00 C ATOM 922 O PHE A 145 -0.787 9.891 -8.812 1.00 0.00 O ATOM 923 CB PHE A 145 -2.476 7.374 -9.433 1.00 0.00 C ATOM 924 CG PHE A 145 -3.032 5.995 -9.125 1.00 0.00 C ATOM 925 CD1 PHE A 145 -3.144 5.544 -7.794 1.00 0.00 C ATOM 926 CD2 PHE A 145 -3.391 5.127 -10.173 1.00 0.00 C ATOM 927 CE1 PHE A 145 -3.582 4.237 -7.525 1.00 0.00 C ATOM 928 CE2 PHE A 145 -3.919 3.856 -9.893 1.00 0.00 C ATOM 929 CZ PHE A 145 -3.983 3.396 -8.572 1.00 0.00 C ATOM 0 H PHE A 145 -1.076 7.844 -7.211 1.00 0.00 H new ATOM 0 HA PHE A 145 -0.443 6.849 -9.925 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -2.977 8.097 -8.789 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -2.737 7.627 -10.461 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -2.892 6.206 -6.979 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -3.260 5.440 -11.198 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -3.610 3.878 -6.507 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -4.277 3.232 -10.699 1.00 0.00 H new ATOM 0 HZ PHE A 145 -4.339 2.399 -8.361 1.00 0.00 H new ATOM 939 N PHE A 146 0.025 9.164 -10.787 1.00 0.00 N ATOM 940 CA PHE A 146 0.434 10.473 -11.279 1.00 0.00 C ATOM 941 C PHE A 146 -0.803 11.350 -11.499 1.00 0.00 C ATOM 942 O PHE A 146 -0.738 12.554 -11.225 1.00 0.00 O ATOM 943 CB PHE A 146 1.197 10.370 -12.609 1.00 0.00 C ATOM 944 CG PHE A 146 2.378 9.420 -12.658 1.00 0.00 C ATOM 945 CD1 PHE A 146 2.144 8.060 -12.917 1.00 0.00 C ATOM 946 CD2 PHE A 146 3.704 9.887 -12.552 1.00 0.00 C ATOM 947 CE1 PHE A 146 3.216 7.170 -13.049 1.00 0.00 C ATOM 948 CE2 PHE A 146 4.784 8.992 -12.689 1.00 0.00 C ATOM 949 CZ PHE A 146 4.530 7.631 -12.942 1.00 0.00 C ATOM 0 H PHE A 146 0.241 8.401 -11.429 1.00 0.00 H new ATOM 0 HA PHE A 146 1.094 10.911 -10.530 1.00 0.00 H new ATOM 0 HB2 PHE A 146 0.490 10.070 -13.382 1.00 0.00 H new ATOM 0 HB3 PHE A 146 1.553 11.366 -12.872 1.00 0.00 H new ATOM 0 HD1 PHE A 146 1.131 7.699 -13.015 1.00 0.00 H new ATOM 0 HD2 PHE A 146 3.893 10.934 -12.365 1.00 0.00 H new ATOM 0 HE1 PHE A 146 3.026 6.123 -13.234 1.00 0.00 H new ATOM 0 HE2 PHE A 146 5.800 9.348 -12.600 1.00 0.00 H new ATOM 0 HZ PHE A 146 5.353 6.941 -13.054 1.00 0.00 H new ATOM 959 N ASN A 147 -1.900 10.778 -12.015 1.00 0.00 N ATOM 960 CA ASN A 147 -3.163 11.469 -12.279 1.00 0.00 C ATOM 961 C ASN A 147 -4.201 10.940 -11.296 1.00 0.00 C ATOM 962 O ASN A 147 -4.208 9.759 -10.950 1.00 0.00 O ATOM 963 CB ASN A 147 -3.619 11.290 -13.736 1.00 0.00 C ATOM 964 CG ASN A 147 -2.679 11.959 -14.733 1.00 0.00 C ATOM 965 OD1 ASN A 147 -2.043 11.312 -15.557 1.00 0.00 O ATOM 966 ND2 ASN A 147 -2.546 13.276 -14.687 1.00 0.00 N ATOM 0 H ASN A 147 -1.930 9.790 -12.267 1.00 0.00 H new ATOM 0 HA ASN A 147 -3.031 12.542 -12.138 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -3.686 10.226 -13.963 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -4.620 11.704 -13.853 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -1.916 13.748 -15.336 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -3.073 13.818 -14.003 1.00 0.00 H new ATOM 973 N LYS A 148 -5.115 11.807 -10.860 1.00 0.00 N ATOM 974 CA LYS A 148 -6.140 11.447 -9.884 1.00 0.00 C ATOM 975 C LYS A 148 -7.170 10.429 -10.365 1.00 0.00 C ATOM 976 O LYS A 148 -7.498 9.493 -9.645 1.00 0.00 O ATOM 977 CB LYS A 148 -6.843 12.729 -9.416 1.00 0.00 C ATOM 978 CG LYS A 148 -7.761 12.373 -8.252 1.00 0.00 C ATOM 979 CD LYS A 148 -8.263 13.607 -7.514 1.00 0.00 C ATOM 980 CE LYS A 148 -9.107 13.181 -6.311 1.00 0.00 C ATOM 981 NZ LYS A 148 -8.309 12.736 -5.151 1.00 0.00 N ATOM 0 H LYS A 148 -5.165 12.776 -11.174 1.00 0.00 H new ATOM 0 HA LYS A 148 -5.621 10.948 -9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -6.109 13.473 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -7.417 13.167 -10.232 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -8.613 11.804 -8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -7.227 11.728 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -7.419 14.212 -7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -8.857 14.228 -8.185 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -9.738 14.017 -6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -9.773 12.373 -6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -8.448 11.716 -5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -7.302 12.926 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -8.614 13.252 -4.301 1.00 0.00 H new ATOM 995 N TRP A 149 -7.672 10.621 -11.570 1.00 0.00 N ATOM 996 CA TRP A 149 -8.692 9.811 -12.239 1.00 0.00 C ATOM 997 C TRP A 149 -8.360 8.328 -12.243 1.00 0.00 C ATOM 998 O TRP A 149 -9.248 7.492 -12.064 1.00 0.00 O ATOM 999 CB TRP A 149 -8.903 10.326 -13.673 1.00 0.00 C ATOM 1000 CG TRP A 149 -8.360 11.698 -13.907 1.00 0.00 C ATOM 1001 CD1 TRP A 149 -7.273 11.998 -14.647 1.00 0.00 C ATOM 1002 CD2 TRP A 149 -8.739 12.921 -13.221 1.00 0.00 C ATOM 1003 NE1 TRP A 149 -6.956 13.330 -14.462 1.00 0.00 N ATOM 1004 CE2 TRP A 149 -7.813 13.942 -13.570 1.00 0.00 C ATOM 1005 CE3 TRP A 149 -9.717 13.229 -12.256 1.00 0.00 C ATOM 1006 CZ2 TRP A 149 -7.887 15.230 -13.019 1.00 0.00 C ATOM 1007 CZ3 TRP A 149 -9.786 14.506 -11.682 1.00 0.00 C ATOM 1008 CH2 TRP A 149 -8.890 15.514 -12.077 1.00 0.00 C ATOM 0 H TRP A 149 -7.362 11.398 -12.153 1.00 0.00 H new ATOM 0 HA TRP A 149 -9.616 9.915 -11.671 1.00 0.00 H new ATOM 0 HB2 TRP A 149 -8.430 9.635 -14.371 1.00 0.00 H new ATOM 0 HB3 TRP A 149 -9.970 10.325 -13.896 1.00 0.00 H new ATOM 0 HD1 TRP A 149 -6.737 11.308 -15.282 1.00 0.00 H new ATOM 0 HE1 TRP A 149 -6.182 13.804 -14.928 1.00 0.00 H new ATOM 0 HE3 TRP A 149 -10.424 12.471 -11.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 -7.182 15.993 -13.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 -10.533 14.717 -10.931 1.00 0.00 H new ATOM 0 HH2 TRP A 149 -8.972 16.506 -11.657 1.00 0.00 H new ATOM 1019 N ASP A 150 -7.083 8.009 -12.431 1.00 0.00 N ATOM 1020 CA ASP A 150 -6.573 6.649 -12.465 1.00 0.00 C ATOM 1021 C ASP A 150 -6.867 5.997 -11.108 1.00 0.00 C ATOM 1022 O ASP A 150 -7.425 4.900 -11.028 1.00 0.00 O ATOM 1023 CB ASP A 150 -5.051 6.651 -12.716 1.00 0.00 C ATOM 1024 CG ASP A 150 -4.530 7.272 -14.020 1.00 0.00 C ATOM 1025 OD1 ASP A 150 -5.240 8.088 -14.648 1.00 0.00 O ATOM 1026 OD2 ASP A 150 -3.353 6.989 -14.360 1.00 0.00 O ATOM 0 H ASP A 150 -6.357 8.712 -12.567 1.00 0.00 H new ATOM 0 HA ASP A 150 -7.053 6.095 -13.271 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -4.578 7.175 -11.886 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -4.706 5.618 -12.679 1.00 0.00 H new ATOM 1031 N ALA A 151 -6.498 6.708 -10.033 1.00 0.00 N ATOM 1032 CA ALA A 151 -6.682 6.292 -8.654 1.00 0.00 C ATOM 1033 C ALA A 151 -8.163 6.163 -8.319 1.00 0.00 C ATOM 1034 O ALA A 151 -8.564 5.159 -7.740 1.00 0.00 O ATOM 1035 CB ALA A 151 -6.040 7.307 -7.699 1.00 0.00 C ATOM 0 H ALA A 151 -6.048 7.620 -10.113 1.00 0.00 H new ATOM 0 HA ALA A 151 -6.202 5.321 -8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -6.187 6.981 -6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.973 7.379 -7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -6.504 8.283 -7.840 1.00 0.00 H new ATOM 1041 N GLU A 152 -8.966 7.174 -8.662 1.00 0.00 N ATOM 1042 CA GLU A 152 -10.399 7.182 -8.388 1.00 0.00 C ATOM 1043 C GLU A 152 -11.068 5.946 -8.971 1.00 0.00 C ATOM 1044 O GLU A 152 -11.787 5.239 -8.260 1.00 0.00 O ATOM 1045 CB GLU A 152 -11.069 8.447 -8.943 1.00 0.00 C ATOM 1046 CG GLU A 152 -10.815 9.655 -8.042 1.00 0.00 C ATOM 1047 CD GLU A 152 -11.707 10.851 -8.359 1.00 0.00 C ATOM 1048 OE1 GLU A 152 -12.930 10.651 -8.543 1.00 0.00 O ATOM 1049 OE2 GLU A 152 -11.202 11.994 -8.319 1.00 0.00 O ATOM 0 H GLU A 152 -8.635 8.012 -9.140 1.00 0.00 H new ATOM 0 HA GLU A 152 -10.522 7.175 -7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -10.690 8.652 -9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -12.142 8.281 -9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -10.970 9.362 -7.004 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -9.771 9.955 -8.137 1.00 0.00 H new ATOM 1056 N ASN A 153 -10.830 5.670 -10.258 1.00 0.00 N ATOM 1057 CA ASN A 153 -11.425 4.515 -10.916 1.00 0.00 C ATOM 1058 C ASN A 153 -11.063 3.255 -10.136 1.00 0.00 C ATOM 1059 O ASN A 153 -11.948 2.486 -9.785 1.00 0.00 O ATOM 1060 CB ASN A 153 -11.012 4.442 -12.396 1.00 0.00 C ATOM 1061 CG ASN A 153 -11.968 3.579 -13.221 1.00 0.00 C ATOM 1062 OD1 ASN A 153 -13.167 3.523 -12.959 1.00 0.00 O ATOM 1063 ND2 ASN A 153 -11.492 2.910 -14.258 1.00 0.00 N ATOM 0 H ASN A 153 -10.229 6.234 -10.859 1.00 0.00 H new ATOM 0 HA ASN A 153 -12.511 4.610 -10.917 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -10.982 5.449 -12.813 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -10.003 4.036 -12.470 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -12.120 2.351 -14.836 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -10.497 2.953 -14.480 1.00 0.00 H new ATOM 1070 N ALA A 154 -9.785 3.070 -9.800 1.00 0.00 N ATOM 1071 CA ALA A 154 -9.323 1.922 -9.050 1.00 0.00 C ATOM 1072 C ALA A 154 -10.005 1.818 -7.682 1.00 0.00 C ATOM 1073 O ALA A 154 -10.518 0.754 -7.379 1.00 0.00 O ATOM 1074 CB ALA A 154 -7.806 1.952 -8.906 1.00 0.00 C ATOM 0 H ALA A 154 -9.042 3.724 -10.047 1.00 0.00 H new ATOM 0 HA ALA A 154 -9.600 1.030 -9.612 1.00 0.00 H new ATOM 0 HB1 ALA A 154 -7.477 1.081 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 154 -7.346 1.937 -9.894 1.00 0.00 H new ATOM 0 HB3 ALA A 154 -7.508 2.860 -8.381 1.00 0.00 H new ATOM 1080 N ILE A 155 -10.037 2.861 -6.848 1.00 0.00 N ATOM 1081 CA ILE A 155 -10.677 2.820 -5.528 1.00 0.00 C ATOM 1082 C ILE A 155 -12.130 2.331 -5.637 1.00 0.00 C ATOM 1083 O ILE A 155 -12.593 1.560 -4.798 1.00 0.00 O ATOM 1084 CB ILE A 155 -10.633 4.226 -4.886 1.00 0.00 C ATOM 1085 CG1 ILE A 155 -9.180 4.630 -4.565 1.00 0.00 C ATOM 1086 CG2 ILE A 155 -11.472 4.288 -3.594 1.00 0.00 C ATOM 1087 CD1 ILE A 155 -9.037 6.125 -4.267 1.00 0.00 C ATOM 0 H ILE A 155 -9.617 3.764 -7.070 1.00 0.00 H new ATOM 0 HA ILE A 155 -10.131 2.118 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 155 -11.057 4.922 -5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -8.829 4.057 -3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -8.539 4.368 -5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -11.417 5.291 -3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -12.510 4.047 -3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -11.083 3.569 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -7.994 6.354 -4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -9.361 6.701 -5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -9.654 6.385 -3.407 1.00 0.00 H new ATOM 1099 N GLN A 156 -12.864 2.799 -6.641 1.00 0.00 N ATOM 1100 CA GLN A 156 -14.264 2.442 -6.837 1.00 0.00 C ATOM 1101 C GLN A 156 -14.497 1.062 -7.443 1.00 0.00 C ATOM 1102 O GLN A 156 -15.479 0.412 -7.087 1.00 0.00 O ATOM 1103 CB GLN A 156 -14.878 3.441 -7.814 1.00 0.00 C ATOM 1104 CG GLN A 156 -14.912 4.872 -7.273 1.00 0.00 C ATOM 1105 CD GLN A 156 -15.236 5.825 -8.403 1.00 0.00 C ATOM 1106 OE1 GLN A 156 -16.294 6.444 -8.413 1.00 0.00 O ATOM 1107 NE2 GLN A 156 -14.353 5.885 -9.385 1.00 0.00 N ATOM 0 H GLN A 156 -12.502 3.441 -7.346 1.00 0.00 H new ATOM 0 HA GLN A 156 -14.710 2.448 -5.843 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -14.310 3.425 -8.744 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -15.894 3.126 -8.055 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -15.659 4.957 -6.484 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -13.950 5.129 -6.830 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -13.487 5.349 -9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -14.537 6.467 -10.202 1.00 0.00 H new ATOM 1116 N GLN A 157 -13.637 0.652 -8.371 1.00 0.00 N ATOM 1117 CA GLN A 157 -13.725 -0.606 -9.097 1.00 0.00 C ATOM 1118 C GLN A 157 -13.024 -1.746 -8.357 1.00 0.00 C ATOM 1119 O GLN A 157 -13.638 -2.783 -8.133 1.00 0.00 O ATOM 1120 CB GLN A 157 -13.154 -0.367 -10.503 1.00 0.00 C ATOM 1121 CG GLN A 157 -13.915 0.709 -11.312 1.00 0.00 C ATOM 1122 CD GLN A 157 -14.678 0.204 -12.539 1.00 0.00 C ATOM 1123 OE1 GLN A 157 -15.226 -0.898 -12.570 1.00 0.00 O ATOM 1124 NE2 GLN A 157 -14.740 1.017 -13.582 1.00 0.00 N ATOM 0 H GLN A 157 -12.829 1.211 -8.647 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.764 -0.926 -9.176 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -12.109 -0.070 -10.415 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.173 -1.306 -11.057 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -14.622 1.205 -10.647 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.200 1.465 -11.638 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -14.283 1.928 -13.546 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -15.245 0.732 -14.421 1.00 0.00 H new ATOM 1133 N MET A 158 -11.749 -1.585 -7.980 1.00 0.00 N ATOM 1134 CA MET A 158 -10.988 -2.613 -7.255 1.00 0.00 C ATOM 1135 C MET A 158 -11.509 -2.826 -5.829 1.00 0.00 C ATOM 1136 O MET A 158 -11.267 -3.881 -5.237 1.00 0.00 O ATOM 1137 CB MET A 158 -9.494 -2.258 -7.178 1.00 0.00 C ATOM 1138 CG MET A 158 -8.769 -2.370 -8.524 1.00 0.00 C ATOM 1139 SD MET A 158 -8.670 -4.042 -9.233 1.00 0.00 S ATOM 1140 CE MET A 158 -8.011 -4.962 -7.824 1.00 0.00 C ATOM 0 H MET A 158 -11.214 -0.737 -8.169 1.00 0.00 H new ATOM 0 HA MET A 158 -11.121 -3.534 -7.822 1.00 0.00 H new ATOM 0 HB2 MET A 158 -9.389 -1.240 -6.801 1.00 0.00 H new ATOM 0 HB3 MET A 158 -9.009 -2.916 -6.457 1.00 0.00 H new ATOM 0 HG2 MET A 158 -9.272 -1.721 -9.241 1.00 0.00 H new ATOM 0 HG3 MET A 158 -7.756 -1.987 -8.403 1.00 0.00 H new ATOM 0 HE1 MET A 158 -7.354 -5.755 -8.182 1.00 0.00 H new ATOM 0 HE2 MET A 158 -7.447 -4.287 -7.180 1.00 0.00 H new ATOM 0 HE3 MET A 158 -8.834 -5.400 -7.259 1.00 0.00 H new ATOM 1150 N GLY A 159 -12.213 -1.847 -5.266 1.00 0.00 N ATOM 1151 CA GLY A 159 -12.775 -1.903 -3.928 1.00 0.00 C ATOM 1152 C GLY A 159 -13.750 -3.059 -3.788 1.00 0.00 C ATOM 1153 O GLY A 159 -14.845 -3.027 -4.345 1.00 0.00 O ATOM 0 H GLY A 159 -12.411 -0.969 -5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.973 -2.011 -3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.285 -0.965 -3.706 1.00 0.00 H new ATOM 1157 N GLY A 160 -13.362 -4.091 -3.038 1.00 0.00 N ATOM 1158 CA GLY A 160 -14.186 -5.269 -2.812 1.00 0.00 C ATOM 1159 C GLY A 160 -13.865 -6.429 -3.751 1.00 0.00 C ATOM 1160 O GLY A 160 -14.442 -7.511 -3.591 1.00 0.00 O ATOM 0 H GLY A 160 -12.458 -4.129 -2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -14.057 -5.600 -1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -15.235 -4.997 -2.930 1.00 0.00 H new ATOM 1164 N GLN A 161 -12.990 -6.222 -4.738 1.00 0.00 N ATOM 1165 CA GLN A 161 -12.584 -7.257 -5.679 1.00 0.00 C ATOM 1166 C GLN A 161 -11.665 -8.246 -4.970 1.00 0.00 C ATOM 1167 O GLN A 161 -11.388 -8.109 -3.776 1.00 0.00 O ATOM 1168 CB GLN A 161 -11.915 -6.637 -6.917 1.00 0.00 C ATOM 1169 CG GLN A 161 -12.878 -5.760 -7.725 1.00 0.00 C ATOM 1170 CD GLN A 161 -14.028 -6.560 -8.326 1.00 0.00 C ATOM 1171 OE1 GLN A 161 -15.013 -6.852 -7.645 1.00 0.00 O ATOM 1172 NE2 GLN A 161 -13.934 -6.940 -9.585 1.00 0.00 N ATOM 0 H GLN A 161 -12.542 -5.321 -4.904 1.00 0.00 H new ATOM 0 HA GLN A 161 -13.463 -7.796 -6.033 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -11.060 -6.039 -6.603 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.530 -7.432 -7.555 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -13.281 -4.978 -7.081 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -12.328 -5.263 -8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -13.111 -6.689 -10.133 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -14.684 -7.485 -10.011 1.00 0.00 H new ATOM 1181 N TRP A 162 -11.219 -9.268 -5.695 1.00 0.00 N ATOM 1182 CA TRP A 162 -10.338 -10.300 -5.182 1.00 0.00 C ATOM 1183 C TRP A 162 -8.969 -10.164 -5.849 1.00 0.00 C ATOM 1184 O TRP A 162 -8.877 -9.667 -6.972 1.00 0.00 O ATOM 1185 CB TRP A 162 -10.972 -11.675 -5.441 1.00 0.00 C ATOM 1186 CG TRP A 162 -12.229 -12.039 -4.689 1.00 0.00 C ATOM 1187 CD1 TRP A 162 -13.367 -11.311 -4.575 1.00 0.00 C ATOM 1188 CD2 TRP A 162 -12.483 -13.249 -3.916 1.00 0.00 C ATOM 1189 NE1 TRP A 162 -14.307 -12.004 -3.837 1.00 0.00 N ATOM 1190 CE2 TRP A 162 -13.796 -13.186 -3.364 1.00 0.00 C ATOM 1191 CE3 TRP A 162 -11.714 -14.381 -3.592 1.00 0.00 C ATOM 1192 CZ2 TRP A 162 -14.309 -14.175 -2.511 1.00 0.00 C ATOM 1193 CZ3 TRP A 162 -12.220 -15.382 -2.745 1.00 0.00 C ATOM 1194 CH2 TRP A 162 -13.508 -15.282 -2.195 1.00 0.00 C ATOM 0 H TRP A 162 -11.468 -9.400 -6.675 1.00 0.00 H new ATOM 0 HA TRP A 162 -10.198 -10.194 -4.106 1.00 0.00 H new ATOM 0 HB2 TRP A 162 -11.191 -11.744 -6.507 1.00 0.00 H new ATOM 0 HB3 TRP A 162 -10.221 -12.434 -5.220 1.00 0.00 H new ATOM 0 HD1 TRP A 162 -13.517 -10.330 -5.000 1.00 0.00 H new ATOM 0 HE1 TRP A 162 -15.258 -11.679 -3.666 1.00 0.00 H new ATOM 0 HE3 TRP A 162 -10.719 -14.483 -4.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 -15.305 -14.085 -2.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 -11.608 -16.242 -2.514 1.00 0.00 H new ATOM 0 HH2 TRP A 162 -13.879 -16.051 -1.534 1.00 0.00 H new ATOM 1205 N LEU A 163 -7.912 -10.600 -5.164 1.00 0.00 N ATOM 1206 CA LEU A 163 -6.521 -10.592 -5.592 1.00 0.00 C ATOM 1207 C LEU A 163 -5.818 -11.643 -4.731 1.00 0.00 C ATOM 1208 O LEU A 163 -5.994 -11.641 -3.511 1.00 0.00 O ATOM 1209 CB LEU A 163 -5.940 -9.190 -5.354 1.00 0.00 C ATOM 1210 CG LEU A 163 -4.468 -9.047 -5.770 1.00 0.00 C ATOM 1211 CD1 LEU A 163 -4.287 -9.100 -7.287 1.00 0.00 C ATOM 1212 CD2 LEU A 163 -3.930 -7.712 -5.248 1.00 0.00 C ATOM 0 H LEU A 163 -8.017 -10.995 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 163 -6.398 -10.822 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -6.535 -8.462 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -6.034 -8.943 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 163 -3.918 -9.885 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -3.230 -8.995 -7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -4.653 -10.055 -7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -4.849 -8.288 -7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -2.885 -7.602 -5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -4.513 -6.894 -5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -4.009 -7.688 -4.161 1.00 0.00 H new ATOM 1224 N GLY A 164 -5.038 -12.549 -5.322 1.00 0.00 N ATOM 1225 CA GLY A 164 -4.349 -13.590 -4.559 1.00 0.00 C ATOM 1226 C GLY A 164 -5.345 -14.528 -3.889 1.00 0.00 C ATOM 1227 O GLY A 164 -5.109 -15.007 -2.779 1.00 0.00 O ATOM 0 H GLY A 164 -4.868 -12.583 -6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -3.697 -14.160 -5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -3.712 -13.130 -3.803 1.00 0.00 H new ATOM 1231 N GLY A 165 -6.507 -14.704 -4.516 1.00 0.00 N ATOM 1232 CA GLY A 165 -7.559 -15.564 -4.028 1.00 0.00 C ATOM 1233 C GLY A 165 -8.268 -15.041 -2.786 1.00 0.00 C ATOM 1234 O GLY A 165 -8.969 -15.833 -2.147 1.00 0.00 O ATOM 0 H GLY A 165 -6.738 -14.239 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -8.294 -15.705 -4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -7.138 -16.545 -3.806 1.00 0.00 H new ATOM 1238 N ARG A 166 -8.102 -13.766 -2.410 1.00 0.00 N ATOM 1239 CA ARG A 166 -8.781 -13.185 -1.253 1.00 0.00 C ATOM 1240 C ARG A 166 -9.328 -11.827 -1.624 1.00 0.00 C ATOM 1241 O ARG A 166 -8.790 -11.175 -2.518 1.00 0.00 O ATOM 1242 CB ARG A 166 -7.831 -13.020 -0.059 1.00 0.00 C ATOM 1243 CG ARG A 166 -7.645 -14.329 0.707 1.00 0.00 C ATOM 1244 CD ARG A 166 -6.705 -14.076 1.884 1.00 0.00 C ATOM 1245 NE ARG A 166 -6.386 -15.308 2.615 1.00 0.00 N ATOM 1246 CZ ARG A 166 -5.438 -15.414 3.547 1.00 0.00 C ATOM 1247 NH1 ARG A 166 -4.830 -14.326 4.016 1.00 0.00 N ATOM 1248 NH2 ARG A 166 -5.098 -16.611 4.009 1.00 0.00 N ATOM 0 H ARG A 166 -7.493 -13.112 -2.901 1.00 0.00 H new ATOM 0 HA ARG A 166 -9.584 -13.863 -0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -6.863 -12.665 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -8.223 -12.258 0.614 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -8.606 -14.698 1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -7.232 -15.096 0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -5.783 -13.623 1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -7.164 -13.360 2.566 1.00 0.00 H new ATOM 0 HE ARG A 166 -6.928 -16.143 2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -5.089 -13.405 3.662 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -4.106 -14.414 4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -5.561 -17.446 3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -4.373 -16.696 4.722 1.00 0.00 H new ATOM 1262 N GLN A 167 -10.423 -11.428 -0.982 1.00 0.00 N ATOM 1263 CA GLN A 167 -10.982 -10.109 -1.244 1.00 0.00 C ATOM 1264 C GLN A 167 -9.990 -9.070 -0.726 1.00 0.00 C ATOM 1265 O GLN A 167 -9.222 -9.340 0.195 1.00 0.00 O ATOM 1266 CB GLN A 167 -12.306 -9.867 -0.513 1.00 0.00 C ATOM 1267 CG GLN A 167 -13.526 -10.363 -1.266 1.00 0.00 C ATOM 1268 CD GLN A 167 -14.805 -9.852 -0.616 1.00 0.00 C ATOM 1269 OE1 GLN A 167 -15.175 -10.269 0.478 1.00 0.00 O ATOM 1270 NE2 GLN A 167 -15.482 -8.896 -1.237 1.00 0.00 N ATOM 0 H GLN A 167 -10.929 -11.985 -0.293 1.00 0.00 H new ATOM 0 HA GLN A 167 -11.164 -10.037 -2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -12.267 -10.358 0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -12.416 -8.799 -0.326 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -13.480 -10.029 -2.302 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -13.531 -11.453 -1.282 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -15.167 -8.556 -2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -16.318 -8.501 -0.806 1.00 0.00 H new ATOM 1279 N ILE A 168 -10.083 -7.858 -1.261 1.00 0.00 N ATOM 1280 CA ILE A 168 -9.250 -6.731 -0.882 1.00 0.00 C ATOM 1281 C ILE A 168 -10.145 -5.524 -0.598 1.00 0.00 C ATOM 1282 O ILE A 168 -11.364 -5.547 -0.815 1.00 0.00 O ATOM 1283 CB ILE A 168 -8.175 -6.440 -1.955 1.00 0.00 C ATOM 1284 CG1 ILE A 168 -8.791 -6.053 -3.317 1.00 0.00 C ATOM 1285 CG2 ILE A 168 -7.212 -7.630 -2.091 1.00 0.00 C ATOM 1286 CD1 ILE A 168 -7.809 -5.307 -4.218 1.00 0.00 C ATOM 0 H ILE A 168 -10.759 -7.630 -1.990 1.00 0.00 H new ATOM 0 HA ILE A 168 -8.701 -6.969 0.029 1.00 0.00 H new ATOM 0 HB ILE A 168 -7.606 -5.573 -1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 168 -9.132 -6.954 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 168 -9.670 -5.430 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 168 -6.463 -7.407 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 168 -6.718 -7.810 -1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 168 -7.771 -8.519 -2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 168 -8.296 -5.060 -5.161 1.00 0.00 H new ATOM 0 HD12 ILE A 168 -7.487 -4.390 -3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 168 -6.942 -5.938 -4.412 1.00 0.00 H new ATOM 1298 N ARG A 169 -9.531 -4.457 -0.098 1.00 0.00 N ATOM 1299 CA ARG A 169 -10.159 -3.179 0.226 1.00 0.00 C ATOM 1300 C ARG A 169 -9.298 -2.083 -0.387 1.00 0.00 C ATOM 1301 O ARG A 169 -8.095 -2.304 -0.546 1.00 0.00 O ATOM 1302 CB ARG A 169 -10.310 -3.013 1.748 1.00 0.00 C ATOM 1303 CG ARG A 169 -9.002 -3.116 2.531 1.00 0.00 C ATOM 1304 CD ARG A 169 -9.219 -2.959 4.037 1.00 0.00 C ATOM 1305 NE ARG A 169 -9.776 -4.174 4.651 1.00 0.00 N ATOM 1306 CZ ARG A 169 -9.451 -4.670 5.846 1.00 0.00 C ATOM 1307 NH1 ARG A 169 -8.713 -3.957 6.689 1.00 0.00 N ATOM 1308 NH2 ARG A 169 -9.865 -5.877 6.200 1.00 0.00 N ATOM 0 H ARG A 169 -8.531 -4.459 0.103 1.00 0.00 H new ATOM 0 HA ARG A 169 -11.168 -3.126 -0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -10.765 -2.043 1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -11.000 -3.772 2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -8.535 -4.081 2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -8.310 -2.349 2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -8.270 -2.715 4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -9.892 -2.121 4.219 1.00 0.00 H new ATOM 0 HE ARG A 169 -10.476 -4.685 4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -8.392 -3.026 6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -8.467 -4.341 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -10.434 -6.430 5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -9.615 -6.254 7.114 1.00 0.00 H new ATOM 1322 N THR A 170 -9.864 -0.920 -0.693 1.00 0.00 N ATOM 1323 CA THR A 170 -9.140 0.204 -1.282 1.00 0.00 C ATOM 1324 C THR A 170 -9.677 1.503 -0.698 1.00 0.00 C ATOM 1325 O THR A 170 -10.866 1.582 -0.396 1.00 0.00 O ATOM 1326 CB THR A 170 -9.300 0.214 -2.810 1.00 0.00 C ATOM 1327 OG1 THR A 170 -10.650 0.064 -3.171 1.00 0.00 O ATOM 1328 CG2 THR A 170 -8.550 -0.930 -3.486 1.00 0.00 C ATOM 0 H THR A 170 -10.853 -0.728 -0.537 1.00 0.00 H new ATOM 0 HA THR A 170 -8.080 0.103 -1.051 1.00 0.00 H new ATOM 0 HB THR A 170 -8.895 1.172 -3.137 1.00 0.00 H new ATOM 0 HG1 THR A 170 -10.731 0.075 -4.148 1.00 0.00 H new ATOM 0 HG21 THR A 170 -8.697 -0.875 -4.565 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.486 -0.851 -3.261 1.00 0.00 H new ATOM 0 HG23 THR A 170 -8.930 -1.883 -3.116 1.00 0.00 H new ATOM 1336 N ASN A 171 -8.829 2.521 -0.543 1.00 0.00 N ATOM 1337 CA ASN A 171 -9.229 3.817 0.001 1.00 0.00 C ATOM 1338 C ASN A 171 -8.118 4.836 -0.252 1.00 0.00 C ATOM 1339 O ASN A 171 -7.006 4.442 -0.603 1.00 0.00 O ATOM 1340 CB ASN A 171 -9.414 3.659 1.524 1.00 0.00 C ATOM 1341 CG ASN A 171 -10.016 4.878 2.196 1.00 0.00 C ATOM 1342 OD1 ASN A 171 -10.914 5.510 1.657 1.00 0.00 O ATOM 1343 ND2 ASN A 171 -9.549 5.232 3.379 1.00 0.00 N ATOM 0 H ASN A 171 -7.841 2.468 -0.793 1.00 0.00 H new ATOM 0 HA ASN A 171 -10.152 4.155 -0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -10.053 2.797 1.716 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -8.446 3.446 1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -9.937 6.044 3.858 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -8.800 4.693 3.814 1.00 0.00 H new ATOM 1350 N TRP A 172 -8.363 6.133 -0.071 1.00 0.00 N ATOM 1351 CA TRP A 172 -7.324 7.140 -0.260 1.00 0.00 C ATOM 1352 C TRP A 172 -6.298 6.989 0.864 1.00 0.00 C ATOM 1353 O TRP A 172 -6.678 6.776 2.019 1.00 0.00 O ATOM 1354 CB TRP A 172 -7.910 8.557 -0.185 1.00 0.00 C ATOM 1355 CG TRP A 172 -8.725 8.993 -1.359 1.00 0.00 C ATOM 1356 CD1 TRP A 172 -10.012 9.404 -1.312 1.00 0.00 C ATOM 1357 CD2 TRP A 172 -8.309 9.143 -2.750 1.00 0.00 C ATOM 1358 NE1 TRP A 172 -10.434 9.746 -2.580 1.00 0.00 N ATOM 1359 CE2 TRP A 172 -9.417 9.635 -3.496 1.00 0.00 C ATOM 1360 CE3 TRP A 172 -7.107 8.930 -3.460 1.00 0.00 C ATOM 1361 CZ2 TRP A 172 -9.339 9.904 -4.866 1.00 0.00 C ATOM 1362 CZ3 TRP A 172 -7.019 9.191 -4.840 1.00 0.00 C ATOM 1363 CH2 TRP A 172 -8.135 9.671 -5.548 1.00 0.00 C ATOM 0 H TRP A 172 -9.270 6.509 0.206 1.00 0.00 H new ATOM 0 HA TRP A 172 -6.870 6.996 -1.240 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -8.531 8.625 0.708 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -7.089 9.262 -0.056 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -10.617 9.457 -0.419 1.00 0.00 H new ATOM 0 HE1 TRP A 172 -11.382 10.044 -2.809 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -6.239 8.560 -2.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 -10.199 10.288 -5.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -6.087 9.021 -5.359 1.00 0.00 H new ATOM 0 HH2 TRP A 172 -8.066 9.859 -6.609 1.00 0.00 H new ATOM 1374 N ALA A 173 -5.002 7.045 0.551 1.00 0.00 N ATOM 1375 CA ALA A 173 -3.970 6.954 1.578 1.00 0.00 C ATOM 1376 C ALA A 173 -3.715 8.377 2.072 1.00 0.00 C ATOM 1377 O ALA A 173 -3.856 9.336 1.301 1.00 0.00 O ATOM 1378 CB ALA A 173 -2.690 6.351 1.021 1.00 0.00 C ATOM 0 H ALA A 173 -4.647 7.152 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 173 -4.297 6.305 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -1.940 6.296 1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -2.894 5.349 0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -2.317 6.975 0.209 1.00 0.00 H new