USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 578 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 134 ASN : amide:sc= -0.096 K(o=-0.12,f=-1.5!) USER MOD Set 1.2: A 138 GLN : amide:sc= -0.0251 X(o=-0.12,f=-0.13) USER MOD Set 2.1: A 79 HIS : no HD1:sc= 0.128 K(o=0.32,f=-0.38) USER MOD Set 2.2: A 125 SER OG : rot 115:sc= 0.189 USER MOD Single : A 86 SER OG : rot 119:sc= -1.53 USER MOD Single : A 90 THR OG1 : rot 41:sc= -0.103 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 95 LYS NZ :NH3+ -124:sc= -0.538 (180deg=-1.41!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl 154:sc= -0.177 (180deg=-0.728) USER MOD Single : A 115 THR OG1 : rot -140:sc= -0.615 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 162:sc= 1.16 (180deg=0.949) USER MOD Single : A 121 TYR OH : rot 180:sc= -0.432 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 129 LYS NZ :NH3+ 149:sc= 1.86 (180deg=0.355!) USER MOD Single : A 137 GLN :FLIP amide:sc= -0.0893 F(o=-1.1,f=-0.089) USER MOD Single : A 139 MET CE :methyl -162:sc= -1.2 (180deg=-2.44) USER MOD Single : A 142 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : A 148 GLN : amide:sc= 0.375 X(o=0.38,f=0) USER MOD Single : A 151 THR OG1 : rot 93:sc= -2.73! USER MOD Single : A 152 ASN : amide:sc= -0.623 K(o=-0.62,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 195 N PHE A 78 7.359 7.695 -1.775 1.00 0.00 N ATOM 196 CA PHE A 78 5.908 7.701 -1.917 1.00 0.00 C ATOM 197 C PHE A 78 5.305 6.397 -1.402 1.00 0.00 C ATOM 198 O PHE A 78 5.555 5.325 -1.953 1.00 0.00 O ATOM 199 CB PHE A 78 5.519 7.913 -3.382 1.00 0.00 C ATOM 200 CG PHE A 78 6.041 9.196 -3.962 1.00 0.00 C ATOM 201 CD1 PHE A 78 5.451 10.408 -3.640 1.00 0.00 C ATOM 202 CD2 PHE A 78 7.122 9.191 -4.828 1.00 0.00 C ATOM 203 CE1 PHE A 78 5.929 11.590 -4.173 1.00 0.00 C ATOM 204 CE2 PHE A 78 7.605 10.370 -5.364 1.00 0.00 C ATOM 205 CZ PHE A 78 7.008 11.571 -5.034 1.00 0.00 C ATOM 0 HA PHE A 78 5.513 8.523 -1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.894 7.078 -3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.432 7.901 -3.466 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.608 10.429 -2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.593 8.255 -5.088 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.459 12.528 -3.916 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.448 10.352 -6.039 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.385 12.494 -5.449 1.00 0.00 H new ATOM 215 N HIS A 79 4.511 6.498 -0.341 1.00 0.00 N ATOM 216 CA HIS A 79 3.872 5.327 0.249 1.00 0.00 C ATOM 217 C HIS A 79 2.514 5.066 -0.395 1.00 0.00 C ATOM 218 O HIS A 79 1.823 5.997 -0.809 1.00 0.00 O ATOM 219 CB HIS A 79 3.706 5.517 1.757 1.00 0.00 C ATOM 220 CG HIS A 79 4.852 6.236 2.401 1.00 0.00 C ATOM 221 ND1 HIS A 79 5.965 5.589 2.893 1.00 0.00 N ATOM 222 CD2 HIS A 79 5.053 7.555 2.629 1.00 0.00 C ATOM 223 CE1 HIS A 79 6.801 6.479 3.398 1.00 0.00 C ATOM 224 NE2 HIS A 79 6.271 7.679 3.250 1.00 0.00 N ATOM 0 H HIS A 79 4.295 7.378 0.128 1.00 0.00 H new ATOM 0 HA HIS A 79 4.512 4.464 0.067 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.787 6.072 1.946 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.590 4.540 2.227 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.381 8.360 2.371 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.755 6.262 3.854 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.697 8.556 3.549 1.00 0.00 H new ATOM 232 N VAL A 80 2.138 3.794 -0.478 1.00 0.00 N ATOM 233 CA VAL A 80 0.863 3.410 -1.071 1.00 0.00 C ATOM 234 C VAL A 80 -0.018 2.686 -0.060 1.00 0.00 C ATOM 235 O VAL A 80 0.471 1.920 0.770 1.00 0.00 O ATOM 236 CB VAL A 80 1.066 2.504 -2.300 1.00 0.00 C ATOM 237 CG1 VAL A 80 -0.247 1.856 -2.709 1.00 0.00 C ATOM 238 CG2 VAL A 80 1.660 3.298 -3.454 1.00 0.00 C ATOM 0 H VAL A 80 2.699 3.011 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 80 0.370 4.330 -1.384 1.00 0.00 H new ATOM 0 HB VAL A 80 1.767 1.712 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.083 1.220 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.627 1.253 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.973 2.630 -2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.797 2.643 -4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.985 4.111 -3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.624 3.710 -3.154 1.00 0.00 H new ATOM 248 N PHE A 81 -1.322 2.934 -0.135 1.00 0.00 N ATOM 249 CA PHE A 81 -2.273 2.306 0.774 1.00 0.00 C ATOM 250 C PHE A 81 -2.848 1.031 0.164 1.00 0.00 C ATOM 251 O PHE A 81 -3.220 1.003 -1.009 1.00 0.00 O ATOM 252 CB PHE A 81 -3.405 3.278 1.113 1.00 0.00 C ATOM 253 CG PHE A 81 -4.644 2.600 1.624 1.00 0.00 C ATOM 254 CD1 PHE A 81 -4.659 2.003 2.874 1.00 0.00 C ATOM 255 CD2 PHE A 81 -5.795 2.559 0.853 1.00 0.00 C ATOM 256 CE1 PHE A 81 -5.797 1.379 3.347 1.00 0.00 C ATOM 257 CE2 PHE A 81 -6.937 1.937 1.321 1.00 0.00 C ATOM 258 CZ PHE A 81 -6.938 1.345 2.569 1.00 0.00 C ATOM 0 H PHE A 81 -1.744 3.565 -0.816 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.743 2.043 1.689 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.053 3.986 1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.657 3.855 0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.770 2.026 3.486 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.800 3.018 -0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.795 0.918 4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.828 1.914 0.711 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.829 0.857 2.936 1.00 0.00 H new ATOM 268 N VAL A 82 -2.916 -0.025 0.970 1.00 0.00 N ATOM 269 CA VAL A 82 -3.446 -1.303 0.511 1.00 0.00 C ATOM 270 C VAL A 82 -4.473 -1.857 1.492 1.00 0.00 C ATOM 271 O VAL A 82 -4.229 -1.913 2.697 1.00 0.00 O ATOM 272 CB VAL A 82 -2.323 -2.340 0.321 1.00 0.00 C ATOM 273 CG1 VAL A 82 -2.815 -3.515 -0.510 1.00 0.00 C ATOM 274 CG2 VAL A 82 -1.105 -1.694 -0.322 1.00 0.00 C ATOM 0 H VAL A 82 -2.611 -0.020 1.943 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.928 -1.119 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.031 -2.717 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.008 -4.237 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.654 -3.992 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.136 -3.159 -1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.321 -2.441 -0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.380 -1.288 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.740 -0.890 0.317 1.00 0.00 H new ATOM 284 N GLY A 83 -5.624 -2.266 0.968 1.00 0.00 N ATOM 285 CA GLY A 83 -6.672 -2.810 1.811 1.00 0.00 C ATOM 286 C GLY A 83 -7.300 -4.058 1.224 1.00 0.00 C ATOM 287 O GLY A 83 -6.920 -4.501 0.140 1.00 0.00 O ATOM 0 H GLY A 83 -5.849 -2.230 -0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.260 -3.042 2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.443 -2.054 1.959 1.00 0.00 H new ATOM 291 N ASP A 84 -8.262 -4.628 1.940 1.00 0.00 N ATOM 292 CA ASP A 84 -8.944 -5.834 1.483 1.00 0.00 C ATOM 293 C ASP A 84 -7.939 -6.922 1.122 1.00 0.00 C ATOM 294 O ASP A 84 -8.034 -7.544 0.062 1.00 0.00 O ATOM 295 CB ASP A 84 -9.830 -5.519 0.277 1.00 0.00 C ATOM 296 CG ASP A 84 -11.211 -5.042 0.681 1.00 0.00 C ATOM 297 OD1 ASP A 84 -11.747 -5.560 1.683 1.00 0.00 O ATOM 298 OD2 ASP A 84 -11.757 -4.153 -0.005 1.00 0.00 O ATOM 0 H ASP A 84 -8.588 -4.275 2.840 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.570 -6.199 2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.349 -4.755 -0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.924 -6.410 -0.344 1.00 0.00 H new ATOM 303 N LEU A 85 -6.974 -7.148 2.007 1.00 0.00 N ATOM 304 CA LEU A 85 -5.950 -8.161 1.781 1.00 0.00 C ATOM 305 C LEU A 85 -6.274 -9.443 2.542 1.00 0.00 C ATOM 306 O LEU A 85 -6.611 -9.406 3.725 1.00 0.00 O ATOM 307 CB LEU A 85 -4.579 -7.633 2.210 1.00 0.00 C ATOM 308 CG LEU A 85 -4.131 -6.323 1.560 1.00 0.00 C ATOM 309 CD1 LEU A 85 -2.949 -5.732 2.312 1.00 0.00 C ATOM 310 CD2 LEU A 85 -3.778 -6.547 0.097 1.00 0.00 C ATOM 0 H LEU A 85 -6.880 -6.643 2.888 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.928 -8.389 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.587 -7.495 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.833 -8.397 1.992 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.957 -5.614 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.644 -4.800 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.237 -5.534 3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.118 -6.437 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.461 -5.604 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.968 -7.273 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.652 -6.925 -0.434 1.00 0.00 H new ATOM 322 N SER A 86 -6.168 -10.576 1.855 1.00 0.00 N ATOM 323 CA SER A 86 -6.452 -11.869 2.465 1.00 0.00 C ATOM 324 C SER A 86 -5.651 -12.051 3.751 1.00 0.00 C ATOM 325 O SER A 86 -4.606 -11.433 3.954 1.00 0.00 O ATOM 326 CB SER A 86 -6.130 -13.000 1.486 1.00 0.00 C ATOM 327 OG SER A 86 -5.619 -14.134 2.167 1.00 0.00 O ATOM 0 H SER A 86 -5.887 -10.624 0.876 1.00 0.00 H new ATOM 0 HA SER A 86 -7.513 -11.902 2.711 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.030 -13.277 0.936 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.402 -12.654 0.752 1.00 0.00 H new ATOM 0 HG SER A 86 -6.214 -14.899 2.020 1.00 0.00 H new ATOM 333 N PRO A 87 -6.152 -12.919 4.641 1.00 0.00 N ATOM 334 CA PRO A 87 -5.500 -13.203 5.923 1.00 0.00 C ATOM 335 C PRO A 87 -4.199 -13.980 5.752 1.00 0.00 C ATOM 336 O PRO A 87 -3.216 -13.720 6.445 1.00 0.00 O ATOM 337 CB PRO A 87 -6.535 -14.052 6.667 1.00 0.00 C ATOM 338 CG PRO A 87 -7.348 -14.686 5.592 1.00 0.00 C ATOM 339 CD PRO A 87 -7.394 -13.691 4.466 1.00 0.00 C ATOM 0 HA PRO A 87 -5.219 -12.290 6.448 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.054 -14.802 7.294 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.154 -13.438 7.322 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.899 -15.624 5.266 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.352 -14.919 5.948 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.427 -14.185 3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.276 -13.053 4.529 1.00 0.00 H new ATOM 347 N GLU A 88 -4.201 -14.932 4.825 1.00 0.00 N ATOM 348 CA GLU A 88 -3.019 -15.746 4.564 1.00 0.00 C ATOM 349 C GLU A 88 -1.938 -14.927 3.866 1.00 0.00 C ATOM 350 O GLU A 88 -0.868 -15.442 3.539 1.00 0.00 O ATOM 351 CB GLU A 88 -3.387 -16.960 3.708 1.00 0.00 C ATOM 352 CG GLU A 88 -3.872 -16.597 2.315 1.00 0.00 C ATOM 353 CD GLU A 88 -3.537 -17.660 1.286 1.00 0.00 C ATOM 354 OE1 GLU A 88 -2.381 -17.687 0.815 1.00 0.00 O ATOM 355 OE2 GLU A 88 -4.432 -18.464 0.952 1.00 0.00 O ATOM 0 H GLU A 88 -5.007 -15.159 4.242 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.628 -16.091 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.517 -17.611 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.164 -17.531 4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.951 -16.446 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.424 -15.650 2.013 1.00 0.00 H new ATOM 362 N ILE A 89 -2.225 -13.649 3.640 1.00 0.00 N ATOM 363 CA ILE A 89 -1.278 -12.758 2.982 1.00 0.00 C ATOM 364 C ILE A 89 -0.260 -12.207 3.974 1.00 0.00 C ATOM 365 O ILE A 89 -0.620 -11.739 5.055 1.00 0.00 O ATOM 366 CB ILE A 89 -1.995 -11.582 2.294 1.00 0.00 C ATOM 367 CG1 ILE A 89 -2.962 -12.100 1.226 1.00 0.00 C ATOM 368 CG2 ILE A 89 -0.981 -10.629 1.680 1.00 0.00 C ATOM 369 CD1 ILE A 89 -2.271 -12.776 0.062 1.00 0.00 C ATOM 0 H ILE A 89 -3.106 -13.208 3.903 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.762 -13.350 2.226 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.569 -11.037 3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.655 -12.805 1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.557 -11.267 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.504 -9.803 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.329 -10.239 2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.383 -11.161 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.017 -13.118 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.599 -12.068 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.699 -13.630 0.425 1.00 0.00 H new ATOM 381 N THR A 90 1.015 -12.265 3.600 1.00 0.00 N ATOM 382 CA THR A 90 2.086 -11.772 4.457 1.00 0.00 C ATOM 383 C THR A 90 2.785 -10.572 3.827 1.00 0.00 C ATOM 384 O THR A 90 2.488 -10.191 2.694 1.00 0.00 O ATOM 385 CB THR A 90 3.129 -12.869 4.741 1.00 0.00 C ATOM 386 OG1 THR A 90 4.035 -12.431 5.759 1.00 0.00 O ATOM 387 CG2 THR A 90 3.905 -13.217 3.480 1.00 0.00 C ATOM 0 H THR A 90 1.331 -12.649 2.709 1.00 0.00 H new ATOM 0 HA THR A 90 1.625 -11.469 5.397 1.00 0.00 H new ATOM 0 HB THR A 90 2.603 -13.761 5.082 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.537 -11.959 6.459 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.636 -13.994 3.705 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.216 -13.578 2.716 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.421 -12.329 3.113 1.00 0.00 H new ATOM 395 N THR A 91 3.717 -9.981 4.567 1.00 0.00 N ATOM 396 CA THR A 91 4.459 -8.824 4.081 1.00 0.00 C ATOM 397 C THR A 91 5.089 -9.106 2.722 1.00 0.00 C ATOM 398 O THR A 91 5.074 -8.256 1.833 1.00 0.00 O ATOM 399 CB THR A 91 5.564 -8.409 5.071 1.00 0.00 C ATOM 400 OG1 THR A 91 4.982 -7.808 6.232 1.00 0.00 O ATOM 401 CG2 THR A 91 6.534 -7.434 4.421 1.00 0.00 C ATOM 0 H THR A 91 3.976 -10.284 5.506 1.00 0.00 H new ATOM 0 HA THR A 91 3.743 -8.008 3.984 1.00 0.00 H new ATOM 0 HB THR A 91 6.114 -9.304 5.363 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.691 -7.549 6.857 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.305 -7.155 5.139 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.998 -7.905 3.555 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.995 -6.542 4.103 1.00 0.00 H new ATOM 409 N GLU A 92 5.642 -10.306 2.569 1.00 0.00 N ATOM 410 CA GLU A 92 6.277 -10.699 1.317 1.00 0.00 C ATOM 411 C GLU A 92 5.266 -10.710 0.174 1.00 0.00 C ATOM 412 O GLU A 92 5.529 -10.181 -0.906 1.00 0.00 O ATOM 413 CB GLU A 92 6.921 -12.080 1.457 1.00 0.00 C ATOM 414 CG GLU A 92 7.779 -12.228 2.702 1.00 0.00 C ATOM 415 CD GLU A 92 8.671 -13.454 2.654 1.00 0.00 C ATOM 416 OE1 GLU A 92 8.161 -14.568 2.894 1.00 0.00 O ATOM 417 OE2 GLU A 92 9.878 -13.298 2.375 1.00 0.00 O ATOM 0 H GLU A 92 5.663 -11.021 3.296 1.00 0.00 H new ATOM 0 HA GLU A 92 7.051 -9.967 1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.137 -12.837 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.535 -12.276 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.397 -11.338 2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.134 -12.287 3.578 1.00 0.00 H new ATOM 424 N ASP A 93 4.111 -11.318 0.420 1.00 0.00 N ATOM 425 CA ASP A 93 3.060 -11.398 -0.588 1.00 0.00 C ATOM 426 C ASP A 93 2.815 -10.036 -1.228 1.00 0.00 C ATOM 427 O ASP A 93 2.788 -9.911 -2.453 1.00 0.00 O ATOM 428 CB ASP A 93 1.765 -11.922 0.036 1.00 0.00 C ATOM 429 CG ASP A 93 1.656 -13.433 -0.039 1.00 0.00 C ATOM 430 OD1 ASP A 93 2.344 -14.035 -0.889 1.00 0.00 O ATOM 431 OD2 ASP A 93 0.882 -14.012 0.752 1.00 0.00 O ATOM 0 H ASP A 93 3.879 -11.763 1.308 1.00 0.00 H new ATOM 0 HA ASP A 93 3.387 -12.090 -1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.715 -11.608 1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.912 -11.473 -0.473 1.00 0.00 H new ATOM 436 N ILE A 94 2.637 -9.018 -0.392 1.00 0.00 N ATOM 437 CA ILE A 94 2.395 -7.665 -0.878 1.00 0.00 C ATOM 438 C ILE A 94 3.492 -7.222 -1.840 1.00 0.00 C ATOM 439 O ILE A 94 3.216 -6.824 -2.972 1.00 0.00 O ATOM 440 CB ILE A 94 2.309 -6.658 0.284 1.00 0.00 C ATOM 441 CG1 ILE A 94 1.257 -7.107 1.301 1.00 0.00 C ATOM 442 CG2 ILE A 94 1.984 -5.268 -0.243 1.00 0.00 C ATOM 443 CD1 ILE A 94 0.864 -6.025 2.282 1.00 0.00 C ATOM 0 H ILE A 94 2.656 -9.105 0.624 1.00 0.00 H new ATOM 0 HA ILE A 94 1.440 -7.684 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 94 3.277 -6.619 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.368 -7.443 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.640 -7.965 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.927 -4.567 0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.765 -4.949 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.027 -5.291 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.115 -6.414 2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.743 -5.705 2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.450 -5.175 1.740 1.00 0.00 H new ATOM 455 N LYS A 95 4.737 -7.295 -1.383 1.00 0.00 N ATOM 456 CA LYS A 95 5.878 -6.904 -2.203 1.00 0.00 C ATOM 457 C LYS A 95 5.827 -7.587 -3.566 1.00 0.00 C ATOM 458 O LYS A 95 6.092 -6.964 -4.594 1.00 0.00 O ATOM 459 CB LYS A 95 7.187 -7.256 -1.493 1.00 0.00 C ATOM 460 CG LYS A 95 7.726 -6.135 -0.621 1.00 0.00 C ATOM 461 CD LYS A 95 8.790 -6.638 0.339 1.00 0.00 C ATOM 462 CE LYS A 95 8.183 -7.085 1.660 1.00 0.00 C ATOM 463 NZ LYS A 95 9.185 -7.761 2.531 1.00 0.00 N ATOM 0 H LYS A 95 4.982 -7.622 -0.448 1.00 0.00 H new ATOM 0 HA LYS A 95 5.833 -5.826 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.030 -8.141 -0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.937 -7.517 -2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.145 -5.351 -1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.908 -5.686 -0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.328 -7.470 -0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.519 -5.849 0.521 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.773 -6.221 2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.353 -7.764 1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.840 -8.708 2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.087 -7.847 2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.329 -7.200 3.395 1.00 0.00 H new ATOM 477 N ALA A 96 5.483 -8.871 -3.567 1.00 0.00 N ATOM 478 CA ALA A 96 5.394 -9.637 -4.804 1.00 0.00 C ATOM 479 C ALA A 96 4.393 -9.009 -5.768 1.00 0.00 C ATOM 480 O ALA A 96 4.547 -9.102 -6.986 1.00 0.00 O ATOM 481 CB ALA A 96 5.009 -11.078 -4.506 1.00 0.00 C ATOM 0 H ALA A 96 5.261 -9.402 -2.725 1.00 0.00 H new ATOM 0 HA ALA A 96 6.374 -9.625 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.946 -11.638 -5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.763 -11.530 -3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.042 -11.100 -4.004 1.00 0.00 H new ATOM 487 N ALA A 97 3.367 -8.370 -5.215 1.00 0.00 N ATOM 488 CA ALA A 97 2.342 -7.726 -6.027 1.00 0.00 C ATOM 489 C ALA A 97 2.878 -6.459 -6.684 1.00 0.00 C ATOM 490 O ALA A 97 2.848 -6.321 -7.907 1.00 0.00 O ATOM 491 CB ALA A 97 1.121 -7.406 -5.178 1.00 0.00 C ATOM 0 H ALA A 97 3.224 -8.285 -4.209 1.00 0.00 H new ATOM 0 HA ALA A 97 2.051 -8.418 -6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.363 -6.925 -5.797 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.717 -8.328 -4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.407 -6.735 -4.368 1.00 0.00 H new ATOM 497 N PHE A 98 3.367 -5.534 -5.864 1.00 0.00 N ATOM 498 CA PHE A 98 3.909 -4.277 -6.367 1.00 0.00 C ATOM 499 C PHE A 98 5.388 -4.421 -6.714 1.00 0.00 C ATOM 500 O PHE A 98 6.083 -3.431 -6.939 1.00 0.00 O ATOM 501 CB PHE A 98 3.723 -3.167 -5.330 1.00 0.00 C ATOM 502 CG PHE A 98 2.315 -3.053 -4.820 1.00 0.00 C ATOM 503 CD1 PHE A 98 1.827 -3.952 -3.886 1.00 0.00 C ATOM 504 CD2 PHE A 98 1.478 -2.046 -5.276 1.00 0.00 C ATOM 505 CE1 PHE A 98 0.532 -3.850 -3.414 1.00 0.00 C ATOM 506 CE2 PHE A 98 0.183 -1.938 -4.807 1.00 0.00 C ATOM 507 CZ PHE A 98 -0.292 -2.842 -3.876 1.00 0.00 C ATOM 0 H PHE A 98 3.399 -5.631 -4.849 1.00 0.00 H new ATOM 0 HA PHE A 98 3.366 -4.013 -7.274 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.392 -3.351 -4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.019 -2.215 -5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.466 -4.743 -3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.842 -1.338 -6.006 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.165 -4.557 -2.685 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.458 -1.147 -5.168 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.305 -2.761 -3.510 1.00 0.00 H new ATOM 517 N ALA A 99 5.861 -5.662 -6.753 1.00 0.00 N ATOM 518 CA ALA A 99 7.256 -5.938 -7.074 1.00 0.00 C ATOM 519 C ALA A 99 7.602 -5.457 -8.479 1.00 0.00 C ATOM 520 O ALA A 99 8.476 -4.612 -8.675 1.00 0.00 O ATOM 521 CB ALA A 99 7.546 -7.425 -6.937 1.00 0.00 C ATOM 0 H ALA A 99 5.299 -6.492 -6.566 1.00 0.00 H new ATOM 0 HA ALA A 99 7.880 -5.391 -6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.591 -7.616 -7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.348 -7.742 -5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.907 -7.985 -7.620 1.00 0.00 H new ATOM 527 N PRO A 100 6.902 -6.007 -9.482 1.00 0.00 N ATOM 528 CA PRO A 100 7.118 -5.649 -10.888 1.00 0.00 C ATOM 529 C PRO A 100 6.646 -4.234 -11.204 1.00 0.00 C ATOM 530 O PRO A 100 6.769 -3.768 -12.337 1.00 0.00 O ATOM 531 CB PRO A 100 6.275 -6.676 -11.648 1.00 0.00 C ATOM 532 CG PRO A 100 5.214 -7.084 -10.685 1.00 0.00 C ATOM 533 CD PRO A 100 5.846 -7.021 -9.322 1.00 0.00 C ATOM 0 HA PRO A 100 8.175 -5.663 -11.155 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.845 -6.244 -12.551 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.877 -7.530 -11.959 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.353 -6.418 -10.747 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.855 -8.090 -10.903 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.125 -6.733 -8.558 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.257 -7.986 -9.025 1.00 0.00 H new ATOM 541 N PHE A 101 6.108 -3.555 -10.197 1.00 0.00 N ATOM 542 CA PHE A 101 5.618 -2.193 -10.368 1.00 0.00 C ATOM 543 C PHE A 101 6.637 -1.180 -9.855 1.00 0.00 C ATOM 544 O PHE A 101 6.345 0.011 -9.748 1.00 0.00 O ATOM 545 CB PHE A 101 4.287 -2.011 -9.635 1.00 0.00 C ATOM 546 CG PHE A 101 3.131 -2.686 -10.315 1.00 0.00 C ATOM 547 CD1 PHE A 101 2.905 -4.042 -10.143 1.00 0.00 C ATOM 548 CD2 PHE A 101 2.269 -1.965 -11.126 1.00 0.00 C ATOM 549 CE1 PHE A 101 1.842 -4.666 -10.768 1.00 0.00 C ATOM 550 CE2 PHE A 101 1.204 -2.584 -11.754 1.00 0.00 C ATOM 551 CZ PHE A 101 0.990 -3.936 -11.573 1.00 0.00 C ATOM 0 H PHE A 101 6.000 -3.926 -9.253 1.00 0.00 H new ATOM 0 HA PHE A 101 5.465 -2.020 -11.433 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.382 -2.404 -8.623 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.074 -0.946 -9.545 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.567 -4.618 -9.513 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.431 -0.907 -11.269 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.678 -5.724 -10.627 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.541 -2.011 -12.385 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.158 -4.422 -12.060 1.00 0.00 H new ATOM 561 N GLY A 102 7.835 -1.662 -9.539 1.00 0.00 N ATOM 562 CA GLY A 102 8.879 -0.787 -9.040 1.00 0.00 C ATOM 563 C GLY A 102 9.475 -1.279 -7.736 1.00 0.00 C ATOM 564 O GLY A 102 8.749 -1.698 -6.834 1.00 0.00 O ATOM 0 H GLY A 102 8.101 -2.643 -9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.668 -0.705 -9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.471 0.213 -8.895 1.00 0.00 H new ATOM 568 N ARG A 103 10.799 -1.229 -7.636 1.00 0.00 N ATOM 569 CA ARG A 103 11.492 -1.676 -6.433 1.00 0.00 C ATOM 570 C ARG A 103 10.827 -1.112 -5.181 1.00 0.00 C ATOM 571 O ARG A 103 10.657 0.100 -5.050 1.00 0.00 O ATOM 572 CB ARG A 103 12.961 -1.253 -6.478 1.00 0.00 C ATOM 573 CG ARG A 103 13.845 -2.204 -7.268 1.00 0.00 C ATOM 574 CD ARG A 103 15.019 -1.476 -7.903 1.00 0.00 C ATOM 575 NE ARG A 103 15.976 -2.400 -8.505 1.00 0.00 N ATOM 576 CZ ARG A 103 15.725 -3.108 -9.601 1.00 0.00 C ATOM 577 NH1 ARG A 103 14.553 -2.998 -10.211 1.00 0.00 N ATOM 578 NH2 ARG A 103 16.647 -3.929 -10.088 1.00 0.00 N ATOM 0 H ARG A 103 11.414 -0.884 -8.373 1.00 0.00 H new ATOM 0 HA ARG A 103 11.435 -2.764 -6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.030 -0.257 -6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.341 -1.180 -5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.216 -2.989 -6.609 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.255 -2.691 -8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.650 -0.789 -8.665 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.523 -0.873 -7.148 1.00 0.00 H new ATOM 0 HE ARG A 103 16.887 -2.508 -8.060 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.842 -2.369 -9.839 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.363 -3.543 -11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.549 -4.017 -9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.453 -4.472 -10.929 1.00 0.00 H new ATOM 592 N ILE A 104 10.452 -1.999 -4.266 1.00 0.00 N ATOM 593 CA ILE A 104 9.807 -1.589 -3.025 1.00 0.00 C ATOM 594 C ILE A 104 10.811 -1.522 -1.879 1.00 0.00 C ATOM 595 O ILE A 104 11.675 -2.389 -1.746 1.00 0.00 O ATOM 596 CB ILE A 104 8.667 -2.551 -2.639 1.00 0.00 C ATOM 597 CG1 ILE A 104 7.804 -2.870 -3.861 1.00 0.00 C ATOM 598 CG2 ILE A 104 7.820 -1.949 -1.528 1.00 0.00 C ATOM 599 CD1 ILE A 104 6.977 -4.127 -3.705 1.00 0.00 C ATOM 0 H ILE A 104 10.584 -3.006 -4.361 1.00 0.00 H new ATOM 0 HA ILE A 104 9.391 -0.596 -3.198 1.00 0.00 H new ATOM 0 HB ILE A 104 9.103 -3.481 -2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.139 -2.029 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 104 8.449 -2.975 -4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.019 -2.640 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.444 -1.768 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.390 -1.007 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.390 -4.291 -4.609 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.637 -4.979 -3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.307 -4.018 -2.852 1.00 0.00 H new ATOM 611 N SER A 105 10.689 -0.489 -1.052 1.00 0.00 N ATOM 612 CA SER A 105 11.587 -0.307 0.083 1.00 0.00 C ATOM 613 C SER A 105 10.876 -0.625 1.394 1.00 0.00 C ATOM 614 O SER A 105 11.255 -1.552 2.110 1.00 0.00 O ATOM 615 CB SER A 105 12.121 1.126 0.113 1.00 0.00 C ATOM 616 OG SER A 105 13.374 1.189 0.773 1.00 0.00 O ATOM 0 H SER A 105 9.977 0.235 -1.146 1.00 0.00 H new ATOM 0 HA SER A 105 12.424 -0.996 -0.033 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.223 1.501 -0.905 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.406 1.773 0.621 1.00 0.00 H new ATOM 0 HG SER A 105 13.695 2.115 0.778 1.00 0.00 H new ATOM 622 N ASP A 106 9.842 0.151 1.703 1.00 0.00 N ATOM 623 CA ASP A 106 9.076 -0.047 2.928 1.00 0.00 C ATOM 624 C ASP A 106 7.781 -0.801 2.643 1.00 0.00 C ATOM 625 O ASP A 106 6.832 -0.240 2.097 1.00 0.00 O ATOM 626 CB ASP A 106 8.763 1.300 3.582 1.00 0.00 C ATOM 627 CG ASP A 106 8.050 1.146 4.911 1.00 0.00 C ATOM 628 OD1 ASP A 106 6.871 0.736 4.907 1.00 0.00 O ATOM 629 OD2 ASP A 106 8.672 1.437 5.955 1.00 0.00 O ATOM 0 H ASP A 106 9.515 0.923 1.122 1.00 0.00 H new ATOM 0 HA ASP A 106 9.679 -0.643 3.613 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.691 1.852 3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.145 1.893 2.908 1.00 0.00 H new ATOM 634 N ALA A 107 7.752 -2.077 3.015 1.00 0.00 N ATOM 635 CA ALA A 107 6.574 -2.908 2.801 1.00 0.00 C ATOM 636 C ALA A 107 6.270 -3.758 4.030 1.00 0.00 C ATOM 637 O ALA A 107 7.138 -4.472 4.532 1.00 0.00 O ATOM 638 CB ALA A 107 6.768 -3.794 1.579 1.00 0.00 C ATOM 0 H ALA A 107 8.531 -2.557 3.466 1.00 0.00 H new ATOM 0 HA ALA A 107 5.723 -2.250 2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.880 -4.409 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.928 -3.171 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.635 -4.438 1.730 1.00 0.00 H new ATOM 644 N ARG A 108 5.034 -3.675 4.511 1.00 0.00 N ATOM 645 CA ARG A 108 4.617 -4.435 5.683 1.00 0.00 C ATOM 646 C ARG A 108 3.096 -4.519 5.764 1.00 0.00 C ATOM 647 O ARG A 108 2.387 -3.671 5.221 1.00 0.00 O ATOM 648 CB ARG A 108 5.173 -3.795 6.956 1.00 0.00 C ATOM 649 CG ARG A 108 4.389 -2.577 7.417 1.00 0.00 C ATOM 650 CD ARG A 108 4.715 -2.218 8.859 1.00 0.00 C ATOM 651 NE ARG A 108 4.188 -3.202 9.800 1.00 0.00 N ATOM 652 CZ ARG A 108 4.009 -2.959 11.094 1.00 0.00 C ATOM 653 NH1 ARG A 108 4.312 -1.771 11.597 1.00 0.00 N ATOM 654 NH2 ARG A 108 3.525 -3.906 11.888 1.00 0.00 N ATOM 0 H ARG A 108 4.304 -3.089 4.107 1.00 0.00 H new ATOM 0 HA ARG A 108 5.014 -5.446 5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.177 -4.537 7.754 1.00 0.00 H new ATOM 0 HB3 ARG A 108 6.210 -3.506 6.784 1.00 0.00 H new ATOM 0 HG2 ARG A 108 4.616 -1.730 6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 108 3.321 -2.773 7.322 1.00 0.00 H new ATOM 0 HD2 ARG A 108 5.796 -2.144 8.979 1.00 0.00 H new ATOM 0 HD3 ARG A 108 4.301 -1.237 9.091 1.00 0.00 H new ATOM 0 HE ARG A 108 3.944 -4.126 9.445 1.00 0.00 H new ATOM 0 HH11 ARG A 108 4.684 -1.040 10.990 1.00 0.00 H new ATOM 0 HH12 ARG A 108 4.173 -1.588 12.591 1.00 0.00 H new ATOM 0 HH21 ARG A 108 3.290 -4.822 11.505 1.00 0.00 H new ATOM 0 HH22 ARG A 108 3.388 -3.718 12.881 1.00 0.00 H new ATOM 668 N VAL A 109 2.600 -5.546 6.446 1.00 0.00 N ATOM 669 CA VAL A 109 1.163 -5.740 6.600 1.00 0.00 C ATOM 670 C VAL A 109 0.693 -5.297 7.981 1.00 0.00 C ATOM 671 O VAL A 109 1.129 -5.834 8.999 1.00 0.00 O ATOM 672 CB VAL A 109 0.770 -7.213 6.384 1.00 0.00 C ATOM 673 CG1 VAL A 109 -0.734 -7.392 6.531 1.00 0.00 C ATOM 674 CG2 VAL A 109 1.241 -7.696 5.020 1.00 0.00 C ATOM 0 H VAL A 109 3.172 -6.257 6.901 1.00 0.00 H new ATOM 0 HA VAL A 109 0.678 -5.127 5.841 1.00 0.00 H new ATOM 0 HB VAL A 109 1.260 -7.817 7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.993 -8.439 6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.041 -7.088 7.532 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.248 -6.777 5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.955 -8.739 4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.781 -7.089 4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.325 -7.606 4.957 1.00 0.00 H new ATOM 684 N VAL A 110 -0.201 -4.314 8.008 1.00 0.00 N ATOM 685 CA VAL A 110 -0.732 -3.799 9.265 1.00 0.00 C ATOM 686 C VAL A 110 -1.307 -4.922 10.120 1.00 0.00 C ATOM 687 O VAL A 110 -2.000 -5.808 9.618 1.00 0.00 O ATOM 688 CB VAL A 110 -1.827 -2.743 9.020 1.00 0.00 C ATOM 689 CG1 VAL A 110 -2.363 -2.214 10.341 1.00 0.00 C ATOM 690 CG2 VAL A 110 -1.290 -1.609 8.160 1.00 0.00 C ATOM 0 H VAL A 110 -0.573 -3.858 7.175 1.00 0.00 H new ATOM 0 HA VAL A 110 0.100 -3.334 9.794 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.651 -3.215 8.485 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.135 -1.469 10.148 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.787 -3.036 10.917 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.551 -1.757 10.906 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.077 -0.872 7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.449 -1.136 8.666 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.960 -2.006 7.200 1.00 0.00 H new ATOM 700 N LYS A 111 -1.015 -4.881 11.415 1.00 0.00 N ATOM 701 CA LYS A 111 -1.503 -5.894 12.343 1.00 0.00 C ATOM 702 C LYS A 111 -2.006 -5.253 13.633 1.00 0.00 C ATOM 703 O LYS A 111 -1.566 -4.167 14.010 1.00 0.00 O ATOM 704 CB LYS A 111 -0.396 -6.901 12.660 1.00 0.00 C ATOM 705 CG LYS A 111 -0.225 -7.972 11.595 1.00 0.00 C ATOM 706 CD LYS A 111 1.122 -8.664 11.713 1.00 0.00 C ATOM 707 CE LYS A 111 1.405 -9.542 10.503 1.00 0.00 C ATOM 708 NZ LYS A 111 2.508 -10.508 10.764 1.00 0.00 N ATOM 0 H LYS A 111 -0.442 -4.156 11.846 1.00 0.00 H new ATOM 0 HA LYS A 111 -2.334 -6.415 11.868 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.546 -6.367 12.781 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.615 -7.381 13.614 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.023 -8.709 11.687 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.319 -7.522 10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.909 -7.916 11.814 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.142 -9.272 12.618 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.501 -10.088 10.231 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.667 -8.914 9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.670 -11.087 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.377 -9.987 10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.248 -11.125 11.560 1.00 0.00 H new ATOM 722 N ASP A 112 -2.928 -5.933 14.305 1.00 0.00 N ATOM 723 CA ASP A 112 -3.489 -5.432 15.554 1.00 0.00 C ATOM 724 C ASP A 112 -2.420 -5.362 16.641 1.00 0.00 C ATOM 725 O ASP A 112 -1.817 -6.373 16.997 1.00 0.00 O ATOM 726 CB ASP A 112 -4.643 -6.323 16.015 1.00 0.00 C ATOM 727 CG ASP A 112 -5.255 -5.851 17.319 1.00 0.00 C ATOM 728 OD1 ASP A 112 -5.541 -4.641 17.436 1.00 0.00 O ATOM 729 OD2 ASP A 112 -5.447 -6.691 18.223 1.00 0.00 O ATOM 0 H ASP A 112 -3.303 -6.833 14.006 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.867 -4.425 15.374 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -5.412 -6.344 15.243 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -4.283 -7.345 16.135 1.00 0.00 H new ATOM 734 N MET A 113 -2.190 -4.161 17.161 1.00 0.00 N ATOM 735 CA MET A 113 -1.193 -3.959 18.206 1.00 0.00 C ATOM 736 C MET A 113 -1.617 -4.646 19.501 1.00 0.00 C ATOM 737 O MET A 113 -0.829 -4.763 20.439 1.00 0.00 O ATOM 738 CB MET A 113 -0.978 -2.465 18.454 1.00 0.00 C ATOM 739 CG MET A 113 -2.197 -1.763 19.031 1.00 0.00 C ATOM 740 SD MET A 113 -2.131 0.027 18.823 1.00 0.00 S ATOM 741 CE MET A 113 -2.292 0.167 17.044 1.00 0.00 C ATOM 0 H MET A 113 -2.680 -3.313 16.876 1.00 0.00 H new ATOM 0 HA MET A 113 -0.256 -4.402 17.870 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.138 -2.336 19.136 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.703 -1.985 17.515 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.095 -2.148 18.549 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.279 -1.999 20.092 1.00 0.00 H new ATOM 0 HE1 MET A 113 -2.722 1.136 16.793 1.00 0.00 H new ATOM 0 HE2 MET A 113 -1.309 0.075 16.581 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.943 -0.625 16.674 1.00 0.00 H new ATOM 751 N ALA A 114 -2.867 -5.096 19.545 1.00 0.00 N ATOM 752 CA ALA A 114 -3.394 -5.772 20.724 1.00 0.00 C ATOM 753 C ALA A 114 -3.024 -7.252 20.720 1.00 0.00 C ATOM 754 O ALA A 114 -2.436 -7.758 21.676 1.00 0.00 O ATOM 755 CB ALA A 114 -4.904 -5.605 20.797 1.00 0.00 C ATOM 0 H ALA A 114 -3.533 -5.005 18.778 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.945 -5.314 21.605 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.284 -6.115 21.682 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.150 -4.545 20.855 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.361 -6.036 19.906 1.00 0.00 H new ATOM 761 N THR A 115 -3.372 -7.941 19.638 1.00 0.00 N ATOM 762 CA THR A 115 -3.078 -9.363 19.510 1.00 0.00 C ATOM 763 C THR A 115 -1.916 -9.601 18.552 1.00 0.00 C ATOM 764 O THR A 115 -1.121 -10.520 18.741 1.00 0.00 O ATOM 765 CB THR A 115 -4.306 -10.149 19.015 1.00 0.00 C ATOM 766 OG1 THR A 115 -4.490 -9.936 17.611 1.00 0.00 O ATOM 767 CG2 THR A 115 -5.559 -9.723 19.765 1.00 0.00 C ATOM 0 H THR A 115 -3.858 -7.537 18.837 1.00 0.00 H new ATOM 0 HA THR A 115 -2.805 -9.719 20.503 1.00 0.00 H new ATOM 0 HB THR A 115 -4.132 -11.209 19.202 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.446 -9.844 17.417 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.414 -10.292 19.398 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.427 -9.912 20.830 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.735 -8.659 19.604 1.00 0.00 H new ATOM 775 N GLY A 116 -1.825 -8.765 17.522 1.00 0.00 N ATOM 776 CA GLY A 116 -0.756 -8.901 16.549 1.00 0.00 C ATOM 777 C GLY A 116 -1.181 -9.692 15.328 1.00 0.00 C ATOM 778 O GLY A 116 -0.351 -10.301 14.653 1.00 0.00 O ATOM 0 H GLY A 116 -2.472 -7.997 17.344 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.423 -7.911 16.239 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.097 -9.392 17.017 1.00 0.00 H new ATOM 782 N LYS A 117 -2.479 -9.686 15.044 1.00 0.00 N ATOM 783 CA LYS A 117 -3.015 -10.409 13.896 1.00 0.00 C ATOM 784 C LYS A 117 -3.154 -9.486 12.689 1.00 0.00 C ATOM 785 O LYS A 117 -3.291 -8.272 12.837 1.00 0.00 O ATOM 786 CB LYS A 117 -4.373 -11.023 14.242 1.00 0.00 C ATOM 787 CG LYS A 117 -4.293 -12.135 15.273 1.00 0.00 C ATOM 788 CD LYS A 117 -5.625 -12.849 15.428 1.00 0.00 C ATOM 789 CE LYS A 117 -6.635 -11.990 16.173 1.00 0.00 C ATOM 790 NZ LYS A 117 -8.026 -12.495 16.003 1.00 0.00 N ATOM 0 H LYS A 117 -3.180 -9.188 15.593 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.317 -11.207 13.643 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -5.032 -10.239 14.616 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.828 -11.415 13.332 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.527 -12.852 14.977 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.988 -11.720 16.234 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.019 -13.104 14.444 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -5.476 -13.786 15.965 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -6.383 -11.970 17.233 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.575 -10.963 15.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -8.684 -11.882 16.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -8.276 -12.490 14.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -8.090 -13.466 16.371 1.00 0.00 H new ATOM 804 N SER A 118 -3.120 -10.071 11.496 1.00 0.00 N ATOM 805 CA SER A 118 -3.241 -9.301 10.264 1.00 0.00 C ATOM 806 C SER A 118 -4.511 -8.455 10.273 1.00 0.00 C ATOM 807 O SER A 118 -5.623 -8.983 10.233 1.00 0.00 O ATOM 808 CB SER A 118 -3.246 -10.235 9.052 1.00 0.00 C ATOM 809 OG SER A 118 -3.009 -9.517 7.853 1.00 0.00 O ATOM 0 H SER A 118 -3.010 -11.075 11.357 1.00 0.00 H new ATOM 0 HA SER A 118 -2.382 -8.634 10.197 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.482 -11.002 9.177 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.206 -10.748 8.989 1.00 0.00 H new ATOM 0 HG SER A 118 -3.015 -10.137 7.094 1.00 0.00 H new ATOM 815 N LYS A 119 -4.337 -7.139 10.327 1.00 0.00 N ATOM 816 CA LYS A 119 -5.467 -6.218 10.341 1.00 0.00 C ATOM 817 C LYS A 119 -6.268 -6.320 9.047 1.00 0.00 C ATOM 818 O LYS A 119 -7.479 -6.537 9.071 1.00 0.00 O ATOM 819 CB LYS A 119 -4.978 -4.781 10.539 1.00 0.00 C ATOM 820 CG LYS A 119 -4.880 -4.367 11.997 1.00 0.00 C ATOM 821 CD LYS A 119 -5.122 -2.878 12.171 1.00 0.00 C ATOM 822 CE LYS A 119 -4.836 -2.429 13.596 1.00 0.00 C ATOM 823 NZ LYS A 119 -3.404 -2.070 13.789 1.00 0.00 N ATOM 0 H LYS A 119 -3.424 -6.686 10.362 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.117 -6.492 11.172 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.999 -4.672 10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.655 -4.101 10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.608 -4.926 12.585 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.894 -4.624 12.384 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.489 -2.322 11.479 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.155 -2.644 11.915 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.461 -1.570 13.838 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.107 -3.226 14.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.303 -1.494 14.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.839 -2.938 13.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.068 -1.527 12.968 1.00 0.00 H new ATOM 837 N GLY A 120 -5.583 -6.162 7.918 1.00 0.00 N ATOM 838 CA GLY A 120 -6.248 -6.241 6.631 1.00 0.00 C ATOM 839 C GLY A 120 -5.577 -5.380 5.578 1.00 0.00 C ATOM 840 O GLY A 120 -5.424 -5.798 4.430 1.00 0.00 O ATOM 0 H GLY A 120 -4.580 -5.981 7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -6.260 -7.278 6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.287 -5.930 6.742 1.00 0.00 H new ATOM 844 N TYR A 121 -5.178 -4.175 5.969 1.00 0.00 N ATOM 845 CA TYR A 121 -4.524 -3.252 5.050 1.00 0.00 C ATOM 846 C TYR A 121 -3.011 -3.269 5.245 1.00 0.00 C ATOM 847 O TYR A 121 -2.515 -3.607 6.319 1.00 0.00 O ATOM 848 CB TYR A 121 -5.059 -1.833 5.252 1.00 0.00 C ATOM 849 CG TYR A 121 -5.141 -1.419 6.704 1.00 0.00 C ATOM 850 CD1 TYR A 121 -6.159 -1.890 7.525 1.00 0.00 C ATOM 851 CD2 TYR A 121 -4.201 -0.557 7.255 1.00 0.00 C ATOM 852 CE1 TYR A 121 -6.238 -1.513 8.851 1.00 0.00 C ATOM 853 CE2 TYR A 121 -4.272 -0.176 8.582 1.00 0.00 C ATOM 854 CZ TYR A 121 -5.293 -0.656 9.375 1.00 0.00 C ATOM 855 OH TYR A 121 -5.368 -0.280 10.697 1.00 0.00 O ATOM 0 H TYR A 121 -5.296 -3.815 6.916 1.00 0.00 H new ATOM 0 HA TYR A 121 -4.745 -3.575 4.033 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -4.417 -1.132 4.719 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -6.051 -1.760 4.805 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -6.901 -2.562 7.119 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.401 -0.178 6.636 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -7.036 -1.887 9.475 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -3.532 0.494 8.995 1.00 0.00 H new ATOM 0 HH TYR A 121 -4.627 0.325 10.907 1.00 0.00 H new ATOM 865 N GLY A 122 -2.281 -2.901 4.196 1.00 0.00 N ATOM 866 CA GLY A 122 -0.832 -2.881 4.271 1.00 0.00 C ATOM 867 C GLY A 122 -0.239 -1.616 3.683 1.00 0.00 C ATOM 868 O GLY A 122 -0.941 -0.829 3.048 1.00 0.00 O ATOM 0 H GLY A 122 -2.667 -2.616 3.296 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.524 -2.973 5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.432 -3.746 3.742 1.00 0.00 H new ATOM 872 N PHE A 123 1.058 -1.418 3.895 1.00 0.00 N ATOM 873 CA PHE A 123 1.745 -0.238 3.383 1.00 0.00 C ATOM 874 C PHE A 123 2.855 -0.632 2.413 1.00 0.00 C ATOM 875 O PHE A 123 3.589 -1.592 2.649 1.00 0.00 O ATOM 876 CB PHE A 123 2.328 0.580 4.538 1.00 0.00 C ATOM 877 CG PHE A 123 1.287 1.286 5.358 1.00 0.00 C ATOM 878 CD1 PHE A 123 0.409 2.180 4.766 1.00 0.00 C ATOM 879 CD2 PHE A 123 1.187 1.057 6.721 1.00 0.00 C ATOM 880 CE1 PHE A 123 -0.551 2.831 5.518 1.00 0.00 C ATOM 881 CE2 PHE A 123 0.229 1.706 7.478 1.00 0.00 C ATOM 882 CZ PHE A 123 -0.640 2.595 6.876 1.00 0.00 C ATOM 0 H PHE A 123 1.654 -2.059 4.418 1.00 0.00 H new ATOM 0 HA PHE A 123 1.017 0.371 2.846 1.00 0.00 H new ATOM 0 HB2 PHE A 123 2.903 -0.081 5.187 1.00 0.00 H new ATOM 0 HB3 PHE A 123 3.024 1.317 4.136 1.00 0.00 H new ATOM 0 HD1 PHE A 123 0.476 2.370 3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 123 1.865 0.364 7.197 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.231 3.524 5.044 1.00 0.00 H new ATOM 0 HE2 PHE A 123 0.160 1.518 8.539 1.00 0.00 H new ATOM 0 HZ PHE A 123 -1.388 3.105 7.466 1.00 0.00 H new ATOM 892 N VAL A 124 2.971 0.115 1.320 1.00 0.00 N ATOM 893 CA VAL A 124 3.991 -0.155 0.314 1.00 0.00 C ATOM 894 C VAL A 124 4.619 1.138 -0.193 1.00 0.00 C ATOM 895 O VAL A 124 3.950 1.963 -0.816 1.00 0.00 O ATOM 896 CB VAL A 124 3.408 -0.932 -0.881 1.00 0.00 C ATOM 897 CG1 VAL A 124 4.493 -1.232 -1.904 1.00 0.00 C ATOM 898 CG2 VAL A 124 2.740 -2.214 -0.408 1.00 0.00 C ATOM 0 H VAL A 124 2.371 0.912 1.109 1.00 0.00 H new ATOM 0 HA VAL A 124 4.757 -0.763 0.795 1.00 0.00 H new ATOM 0 HB VAL A 124 2.652 -0.311 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.062 -1.781 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.921 -0.297 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.275 -1.833 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.334 -2.750 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.474 -2.841 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 124 1.933 -1.970 0.283 1.00 0.00 H new ATOM 908 N SER A 125 5.909 1.309 0.079 1.00 0.00 N ATOM 909 CA SER A 125 6.628 2.504 -0.347 1.00 0.00 C ATOM 910 C SER A 125 7.577 2.186 -1.498 1.00 0.00 C ATOM 911 O SER A 125 8.228 1.142 -1.511 1.00 0.00 O ATOM 912 CB SER A 125 7.412 3.098 0.825 1.00 0.00 C ATOM 913 OG SER A 125 7.833 4.420 0.540 1.00 0.00 O ATOM 0 H SER A 125 6.477 0.635 0.592 1.00 0.00 H new ATOM 0 HA SER A 125 5.896 3.234 -0.693 1.00 0.00 H new ATOM 0 HB2 SER A 125 6.790 3.096 1.720 1.00 0.00 H new ATOM 0 HB3 SER A 125 8.280 2.475 1.039 1.00 0.00 H new ATOM 0 HG SER A 125 7.388 5.044 1.151 1.00 0.00 H new ATOM 919 N PHE A 126 7.649 3.095 -2.465 1.00 0.00 N ATOM 920 CA PHE A 126 8.516 2.913 -3.623 1.00 0.00 C ATOM 921 C PHE A 126 9.551 4.031 -3.709 1.00 0.00 C ATOM 922 O PHE A 126 9.406 5.076 -3.074 1.00 0.00 O ATOM 923 CB PHE A 126 7.686 2.870 -4.907 1.00 0.00 C ATOM 924 CG PHE A 126 6.539 1.902 -4.848 1.00 0.00 C ATOM 925 CD1 PHE A 126 5.515 2.077 -3.931 1.00 0.00 C ATOM 926 CD2 PHE A 126 6.485 0.818 -5.709 1.00 0.00 C ATOM 927 CE1 PHE A 126 4.459 1.187 -3.874 1.00 0.00 C ATOM 928 CE2 PHE A 126 5.431 -0.075 -5.657 1.00 0.00 C ATOM 929 CZ PHE A 126 4.416 0.111 -4.739 1.00 0.00 C ATOM 0 H PHE A 126 7.117 3.965 -2.469 1.00 0.00 H new ATOM 0 HA PHE A 126 9.041 1.965 -3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 126 7.299 3.868 -5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 126 8.335 2.602 -5.741 1.00 0.00 H new ATOM 0 HD1 PHE A 126 5.542 2.918 -3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 126 7.276 0.669 -6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 126 3.668 1.333 -3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.401 -0.917 -6.333 1.00 0.00 H new ATOM 0 HZ PHE A 126 3.590 -0.584 -4.698 1.00 0.00 H new ATOM 939 N PHE A 127 10.594 3.804 -4.500 1.00 0.00 N ATOM 940 CA PHE A 127 11.654 4.791 -4.669 1.00 0.00 C ATOM 941 C PHE A 127 11.170 5.972 -5.506 1.00 0.00 C ATOM 942 O PHE A 127 11.448 7.127 -5.189 1.00 0.00 O ATOM 943 CB PHE A 127 12.876 4.150 -5.330 1.00 0.00 C ATOM 944 CG PHE A 127 13.470 3.026 -4.530 1.00 0.00 C ATOM 945 CD1 PHE A 127 13.550 3.108 -3.149 1.00 0.00 C ATOM 946 CD2 PHE A 127 13.948 1.888 -5.158 1.00 0.00 C ATOM 947 CE1 PHE A 127 14.096 2.075 -2.410 1.00 0.00 C ATOM 948 CE2 PHE A 127 14.495 0.852 -4.425 1.00 0.00 C ATOM 949 CZ PHE A 127 14.568 0.945 -3.049 1.00 0.00 C ATOM 0 H PHE A 127 10.728 2.945 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 127 11.934 5.159 -3.682 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.592 3.775 -6.313 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.637 4.915 -5.488 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.182 3.989 -2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 127 13.893 1.809 -6.234 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.153 2.151 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.865 -0.029 -4.928 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.993 0.136 -2.474 1.00 0.00 H new ATOM 959 N ASN A 128 10.443 5.671 -6.578 1.00 0.00 N ATOM 960 CA ASN A 128 9.921 6.706 -7.462 1.00 0.00 C ATOM 961 C ASN A 128 8.397 6.747 -7.410 1.00 0.00 C ATOM 962 O ASN A 128 7.753 5.791 -6.978 1.00 0.00 O ATOM 963 CB ASN A 128 10.387 6.461 -8.899 1.00 0.00 C ATOM 964 CG ASN A 128 11.893 6.319 -9.002 1.00 0.00 C ATOM 965 OD1 ASN A 128 12.643 7.089 -8.401 1.00 0.00 O ATOM 966 ND2 ASN A 128 12.343 5.332 -9.768 1.00 0.00 N ATOM 0 H ASN A 128 10.203 4.719 -6.855 1.00 0.00 H new ATOM 0 HA ASN A 128 10.305 7.668 -7.122 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.913 5.558 -9.283 1.00 0.00 H new ATOM 0 HB3 ASN A 128 10.059 7.287 -9.530 1.00 0.00 H new ATOM 0 HD21 ASN A 128 13.347 5.188 -9.877 1.00 0.00 H new ATOM 0 HD22 ASN A 128 11.685 4.718 -10.248 1.00 0.00 H new ATOM 973 N LYS A 129 7.825 7.861 -7.854 1.00 0.00 N ATOM 974 CA LYS A 129 6.377 8.029 -7.860 1.00 0.00 C ATOM 975 C LYS A 129 5.729 7.121 -8.901 1.00 0.00 C ATOM 976 O LYS A 129 4.928 6.249 -8.565 1.00 0.00 O ATOM 977 CB LYS A 129 6.012 9.488 -8.143 1.00 0.00 C ATOM 978 CG LYS A 129 4.527 9.780 -8.015 1.00 0.00 C ATOM 979 CD LYS A 129 4.093 9.836 -6.560 1.00 0.00 C ATOM 980 CE LYS A 129 2.784 10.593 -6.398 1.00 0.00 C ATOM 981 NZ LYS A 129 2.403 10.742 -4.967 1.00 0.00 N ATOM 0 H LYS A 129 8.343 8.662 -8.215 1.00 0.00 H new ATOM 0 HA LYS A 129 6.000 7.752 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.561 10.131 -7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.339 9.747 -9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 129 4.299 10.729 -8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 129 3.958 9.010 -8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 129 3.979 8.823 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 129 4.869 10.318 -5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.876 11.579 -6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 129 1.992 10.068 -6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 1.876 11.629 -4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 1.806 9.940 -4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.261 10.761 -4.380 1.00 0.00 H new ATOM 995 N TRP A 130 6.081 7.332 -10.164 1.00 0.00 N ATOM 996 CA TRP A 130 5.534 6.532 -11.254 1.00 0.00 C ATOM 997 C TRP A 130 5.272 5.100 -10.799 1.00 0.00 C ATOM 998 O TRP A 130 4.135 4.628 -10.829 1.00 0.00 O ATOM 999 CB TRP A 130 6.492 6.534 -12.446 1.00 0.00 C ATOM 1000 CG TRP A 130 7.464 7.674 -12.425 1.00 0.00 C ATOM 1001 CD1 TRP A 130 8.821 7.591 -12.295 1.00 0.00 C ATOM 1002 CD2 TRP A 130 7.154 9.067 -12.535 1.00 0.00 C ATOM 1003 NE1 TRP A 130 9.373 8.849 -12.317 1.00 0.00 N ATOM 1004 CE2 TRP A 130 8.372 9.772 -12.465 1.00 0.00 C ATOM 1005 CE3 TRP A 130 5.967 9.788 -12.689 1.00 0.00 C ATOM 1006 CZ2 TRP A 130 8.433 11.161 -12.541 1.00 0.00 C ATOM 1007 CZ3 TRP A 130 6.029 11.166 -12.764 1.00 0.00 C ATOM 1008 CH2 TRP A 130 7.255 11.841 -12.691 1.00 0.00 C ATOM 0 H TRP A 130 6.743 8.050 -10.459 1.00 0.00 H new ATOM 0 HA TRP A 130 4.586 6.976 -11.558 1.00 0.00 H new ATOM 0 HB2 TRP A 130 7.045 5.595 -12.460 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.913 6.577 -13.368 1.00 0.00 H new ATOM 0 HD1 TRP A 130 9.378 6.672 -12.190 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.367 9.061 -12.236 1.00 0.00 H new ATOM 0 HE3 TRP A 130 5.018 9.277 -12.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.377 11.683 -12.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 5.117 11.733 -12.881 1.00 0.00 H new ATOM 0 HH2 TRP A 130 7.270 12.919 -12.754 1.00 0.00 H new ATOM 1019 N ASP A 131 6.329 4.415 -10.378 1.00 0.00 N ATOM 1020 CA ASP A 131 6.212 3.037 -9.915 1.00 0.00 C ATOM 1021 C ASP A 131 4.944 2.847 -9.089 1.00 0.00 C ATOM 1022 O ASP A 131 4.131 1.968 -9.375 1.00 0.00 O ATOM 1023 CB ASP A 131 7.438 2.649 -9.088 1.00 0.00 C ATOM 1024 CG ASP A 131 8.653 2.367 -9.949 1.00 0.00 C ATOM 1025 OD1 ASP A 131 8.509 2.347 -11.190 1.00 0.00 O ATOM 1026 OD2 ASP A 131 9.748 2.167 -9.383 1.00 0.00 O ATOM 0 H ASP A 131 7.277 4.791 -10.348 1.00 0.00 H new ATOM 0 HA ASP A 131 6.154 2.389 -10.790 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.670 3.453 -8.389 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.206 1.766 -8.492 1.00 0.00 H new ATOM 1031 N ALA A 132 4.782 3.676 -8.063 1.00 0.00 N ATOM 1032 CA ALA A 132 3.613 3.600 -7.196 1.00 0.00 C ATOM 1033 C ALA A 132 2.339 3.940 -7.962 1.00 0.00 C ATOM 1034 O ALA A 132 1.420 3.125 -8.048 1.00 0.00 O ATOM 1035 CB ALA A 132 3.779 4.530 -6.004 1.00 0.00 C ATOM 0 H ALA A 132 5.446 4.408 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 132 3.525 2.576 -6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 132 2.899 4.463 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.663 4.239 -5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.895 5.555 -6.356 1.00 0.00 H new ATOM 1041 N GLU A 133 2.291 5.147 -8.515 1.00 0.00 N ATOM 1042 CA GLU A 133 1.127 5.594 -9.272 1.00 0.00 C ATOM 1043 C GLU A 133 0.626 4.492 -10.201 1.00 0.00 C ATOM 1044 O GLU A 133 -0.511 4.037 -10.083 1.00 0.00 O ATOM 1045 CB GLU A 133 1.469 6.844 -10.086 1.00 0.00 C ATOM 1046 CG GLU A 133 1.221 8.144 -9.339 1.00 0.00 C ATOM 1047 CD GLU A 133 -0.188 8.670 -9.536 1.00 0.00 C ATOM 1048 OE1 GLU A 133 -1.120 7.845 -9.633 1.00 0.00 O ATOM 1049 OE2 GLU A 133 -0.357 9.905 -9.594 1.00 0.00 O ATOM 0 H GLU A 133 3.044 5.833 -8.454 1.00 0.00 H new ATOM 0 HA GLU A 133 0.336 5.836 -8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 133 2.517 6.799 -10.382 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.879 6.843 -11.002 1.00 0.00 H new ATOM 0 HG2 GLU A 133 1.401 7.988 -8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 133 1.936 8.895 -9.676 1.00 0.00 H new ATOM 1056 N ASN A 134 1.483 4.067 -11.123 1.00 0.00 N ATOM 1057 CA ASN A 134 1.127 3.019 -12.073 1.00 0.00 C ATOM 1058 C ASN A 134 0.392 1.880 -11.374 1.00 0.00 C ATOM 1059 O ASN A 134 -0.613 1.376 -11.876 1.00 0.00 O ATOM 1060 CB ASN A 134 2.382 2.483 -12.765 1.00 0.00 C ATOM 1061 CG ASN A 134 2.063 1.756 -14.058 1.00 0.00 C ATOM 1062 OD1 ASN A 134 1.054 2.035 -14.706 1.00 0.00 O ATOM 1063 ND2 ASN A 134 2.924 0.819 -14.437 1.00 0.00 N ATOM 0 H ASN A 134 2.429 4.432 -11.233 1.00 0.00 H new ATOM 0 HA ASN A 134 0.463 3.451 -12.822 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.060 3.311 -12.974 1.00 0.00 H new ATOM 0 HB3 ASN A 134 2.905 1.806 -12.090 1.00 0.00 H new ATOM 0 HD21 ASN A 134 2.762 0.296 -15.298 1.00 0.00 H new ATOM 0 HD22 ASN A 134 3.747 0.622 -13.867 1.00 0.00 H new ATOM 1070 N ALA A 135 0.899 1.478 -10.214 1.00 0.00 N ATOM 1071 CA ALA A 135 0.289 0.401 -9.445 1.00 0.00 C ATOM 1072 C ALA A 135 -1.085 0.808 -8.923 1.00 0.00 C ATOM 1073 O ALA A 135 -2.084 0.138 -9.190 1.00 0.00 O ATOM 1074 CB ALA A 135 1.195 -0.003 -8.291 1.00 0.00 C ATOM 0 H ALA A 135 1.732 1.882 -9.786 1.00 0.00 H new ATOM 0 HA ALA A 135 0.158 -0.455 -10.107 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.726 -0.808 -7.725 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.153 -0.344 -8.683 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.355 0.854 -7.637 1.00 0.00 H new ATOM 1080 N ILE A 136 -1.128 1.908 -8.179 1.00 0.00 N ATOM 1081 CA ILE A 136 -2.380 2.403 -7.621 1.00 0.00 C ATOM 1082 C ILE A 136 -3.517 2.282 -8.629 1.00 0.00 C ATOM 1083 O ILE A 136 -4.650 1.966 -8.266 1.00 0.00 O ATOM 1084 CB ILE A 136 -2.256 3.873 -7.178 1.00 0.00 C ATOM 1085 CG1 ILE A 136 -1.178 4.015 -6.102 1.00 0.00 C ATOM 1086 CG2 ILE A 136 -3.594 4.386 -6.666 1.00 0.00 C ATOM 1087 CD1 ILE A 136 -0.777 5.449 -5.833 1.00 0.00 C ATOM 0 H ILE A 136 -0.311 2.473 -7.949 1.00 0.00 H new ATOM 0 HA ILE A 136 -2.603 1.787 -6.750 1.00 0.00 H new ATOM 0 HB ILE A 136 -1.964 4.474 -8.039 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.539 3.568 -5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -0.296 3.451 -6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -3.491 5.426 -6.357 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -4.338 4.316 -7.459 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -3.913 3.784 -5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -0.009 5.473 -5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.385 5.895 -6.747 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -1.647 6.013 -5.498 1.00 0.00 H new ATOM 1099 N GLN A 137 -3.207 2.533 -9.897 1.00 0.00 N ATOM 1100 CA GLN A 137 -4.203 2.450 -10.958 1.00 0.00 C ATOM 1101 C GLN A 137 -4.495 0.998 -11.319 1.00 0.00 C ATOM 1102 O GLN A 137 -5.613 0.517 -11.140 1.00 0.00 O ATOM 1103 CB GLN A 137 -3.725 3.210 -12.196 1.00 0.00 C ATOM 1104 CG GLN A 137 -3.197 4.603 -11.889 1.00 0.00 C ATOM 1105 CD GLN A 137 -2.535 5.253 -13.088 1.00 0.00 C ATOM 1106 OE1 GLN A 137 -1.572 4.558 -13.682 1.00 0.00 O flip ATOM 1107 NE2 GLN A 137 -2.885 6.368 -13.476 1.00 0.00 N flip ATOM 0 H GLN A 137 -2.274 2.796 -10.214 1.00 0.00 H new ATOM 0 HA GLN A 137 -5.123 2.906 -10.594 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.941 2.633 -12.686 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -4.550 3.291 -12.903 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -4.019 5.232 -11.547 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.480 4.543 -11.071 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -3.630 6.867 -12.989 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -2.430 6.793 -14.284 1.00 0.00 H new ATOM 1116 N GLN A 138 -3.481 0.305 -11.829 1.00 0.00 N ATOM 1117 CA GLN A 138 -3.631 -1.093 -12.216 1.00 0.00 C ATOM 1118 C GLN A 138 -3.944 -1.963 -11.004 1.00 0.00 C ATOM 1119 O GLN A 138 -4.996 -2.599 -10.939 1.00 0.00 O ATOM 1120 CB GLN A 138 -2.358 -1.592 -12.903 1.00 0.00 C ATOM 1121 CG GLN A 138 -1.895 -0.704 -14.046 1.00 0.00 C ATOM 1122 CD GLN A 138 -1.094 -1.462 -15.086 1.00 0.00 C ATOM 1123 OE1 GLN A 138 -1.576 -2.432 -15.673 1.00 0.00 O ATOM 1124 NE2 GLN A 138 0.137 -1.023 -15.322 1.00 0.00 N ATOM 0 H GLN A 138 -2.548 0.688 -11.983 1.00 0.00 H new ATOM 0 HA GLN A 138 -4.465 -1.164 -12.915 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.560 -1.663 -12.164 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -2.531 -2.599 -13.283 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -2.763 -0.249 -14.522 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -1.288 0.109 -13.647 1.00 0.00 H new ATOM 0 HE21 GLN A 138 0.497 -0.216 -14.813 1.00 0.00 H new ATOM 0 HE22 GLN A 138 0.723 -1.493 -16.012 1.00 0.00 H new ATOM 1133 N MET A 139 -3.024 -1.987 -10.045 1.00 0.00 N ATOM 1134 CA MET A 139 -3.203 -2.780 -8.834 1.00 0.00 C ATOM 1135 C MET A 139 -4.552 -2.486 -8.187 1.00 0.00 C ATOM 1136 O MET A 139 -5.176 -3.370 -7.602 1.00 0.00 O ATOM 1137 CB MET A 139 -2.075 -2.495 -7.841 1.00 0.00 C ATOM 1138 CG MET A 139 -0.700 -2.897 -8.351 1.00 0.00 C ATOM 1139 SD MET A 139 -0.604 -4.644 -8.784 1.00 0.00 S ATOM 1140 CE MET A 139 -1.358 -5.393 -7.342 1.00 0.00 C ATOM 0 H MET A 139 -2.147 -1.467 -10.083 1.00 0.00 H new ATOM 0 HA MET A 139 -3.175 -3.834 -9.112 1.00 0.00 H new ATOM 0 HB2 MET A 139 -2.069 -1.431 -7.606 1.00 0.00 H new ATOM 0 HB3 MET A 139 -2.278 -3.026 -6.911 1.00 0.00 H new ATOM 0 HG2 MET A 139 -0.451 -2.296 -9.225 1.00 0.00 H new ATOM 0 HG3 MET A 139 0.046 -2.674 -7.588 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.094 -6.450 -7.301 1.00 0.00 H new ATOM 0 HE2 MET A 139 -0.998 -4.894 -6.442 1.00 0.00 H new ATOM 0 HE3 MET A 139 -2.442 -5.292 -7.404 1.00 0.00 H new ATOM 1150 N GLY A 140 -4.997 -1.237 -8.296 1.00 0.00 N ATOM 1151 CA GLY A 140 -6.270 -0.850 -7.716 1.00 0.00 C ATOM 1152 C GLY A 140 -7.427 -1.661 -8.264 1.00 0.00 C ATOM 1153 O GLY A 140 -8.000 -1.319 -9.298 1.00 0.00 O ATOM 0 H GLY A 140 -4.499 -0.487 -8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -6.225 -0.972 -6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -6.448 0.208 -7.910 1.00 0.00 H new ATOM 1157 N GLY A 141 -7.772 -2.741 -7.569 1.00 0.00 N ATOM 1158 CA GLY A 141 -8.867 -3.587 -8.008 1.00 0.00 C ATOM 1159 C GLY A 141 -8.399 -4.965 -8.432 1.00 0.00 C ATOM 1160 O GLY A 141 -9.192 -5.776 -8.911 1.00 0.00 O ATOM 0 H GLY A 141 -7.313 -3.045 -6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -9.593 -3.685 -7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.381 -3.108 -8.842 1.00 0.00 H new ATOM 1164 N GLN A 142 -7.109 -5.231 -8.258 1.00 0.00 N ATOM 1165 CA GLN A 142 -6.537 -6.520 -8.629 1.00 0.00 C ATOM 1166 C GLN A 142 -6.807 -7.565 -7.551 1.00 0.00 C ATOM 1167 O GLN A 142 -7.289 -7.241 -6.466 1.00 0.00 O ATOM 1168 CB GLN A 142 -5.031 -6.386 -8.861 1.00 0.00 C ATOM 1169 CG GLN A 142 -4.672 -5.868 -10.244 1.00 0.00 C ATOM 1170 CD GLN A 142 -5.037 -6.844 -11.345 1.00 0.00 C ATOM 1171 OE1 GLN A 142 -6.023 -6.653 -12.058 1.00 0.00 O ATOM 1172 NE2 GLN A 142 -4.241 -7.897 -11.491 1.00 0.00 N ATOM 0 H GLN A 142 -6.440 -4.571 -7.862 1.00 0.00 H new ATOM 0 HA GLN A 142 -7.012 -6.847 -9.554 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -4.615 -5.713 -8.111 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -4.561 -7.358 -8.713 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -5.184 -4.922 -10.418 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -3.602 -5.663 -10.285 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -3.435 -8.016 -10.878 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -4.436 -8.587 -12.216 1.00 0.00 H new ATOM 1181 N TRP A 143 -6.494 -8.818 -7.859 1.00 0.00 N ATOM 1182 CA TRP A 143 -6.703 -9.912 -6.916 1.00 0.00 C ATOM 1183 C TRP A 143 -5.377 -10.394 -6.339 1.00 0.00 C ATOM 1184 O TRP A 143 -4.558 -10.983 -7.047 1.00 0.00 O ATOM 1185 CB TRP A 143 -7.428 -11.071 -7.602 1.00 0.00 C ATOM 1186 CG TRP A 143 -8.910 -10.870 -7.701 1.00 0.00 C ATOM 1187 CD1 TRP A 143 -9.559 -9.876 -8.375 1.00 0.00 C ATOM 1188 CD2 TRP A 143 -9.926 -11.683 -7.104 1.00 0.00 C ATOM 1189 NE1 TRP A 143 -10.918 -10.022 -8.234 1.00 0.00 N ATOM 1190 CE2 TRP A 143 -11.169 -11.123 -7.460 1.00 0.00 C ATOM 1191 CE3 TRP A 143 -9.908 -12.830 -6.307 1.00 0.00 C ATOM 1192 CZ2 TRP A 143 -12.379 -11.672 -7.043 1.00 0.00 C ATOM 1193 CZ3 TRP A 143 -11.110 -13.374 -5.894 1.00 0.00 C ATOM 1194 CH2 TRP A 143 -12.331 -12.795 -6.263 1.00 0.00 C ATOM 0 H TRP A 143 -6.095 -9.102 -8.754 1.00 0.00 H new ATOM 0 HA TRP A 143 -7.319 -9.541 -6.097 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -7.019 -11.204 -8.604 1.00 0.00 H new ATOM 0 HB3 TRP A 143 -7.229 -11.991 -7.052 1.00 0.00 H new ATOM 0 HD1 TRP A 143 -9.075 -9.090 -8.937 1.00 0.00 H new ATOM 0 HE1 TRP A 143 -11.625 -9.409 -8.640 1.00 0.00 H new ATOM 0 HE3 TRP A 143 -8.971 -13.284 -6.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 -13.322 -11.227 -7.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 -11.108 -14.260 -5.277 1.00 0.00 H new ATOM 0 HH2 TRP A 143 -13.253 -13.244 -5.925 1.00 0.00 H new ATOM 1205 N LEU A 144 -5.171 -10.142 -5.051 1.00 0.00 N ATOM 1206 CA LEU A 144 -3.943 -10.552 -4.379 1.00 0.00 C ATOM 1207 C LEU A 144 -4.189 -11.764 -3.486 1.00 0.00 C ATOM 1208 O LEU A 144 -5.110 -11.770 -2.670 1.00 0.00 O ATOM 1209 CB LEU A 144 -3.384 -9.397 -3.547 1.00 0.00 C ATOM 1210 CG LEU A 144 -2.112 -9.696 -2.752 1.00 0.00 C ATOM 1211 CD1 LEU A 144 -0.973 -10.067 -3.688 1.00 0.00 C ATOM 1212 CD2 LEU A 144 -1.728 -8.501 -1.890 1.00 0.00 C ATOM 0 H LEU A 144 -5.838 -9.656 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.215 -10.828 -5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -3.183 -8.559 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -4.156 -9.071 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 144 -2.308 -10.544 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -0.076 -10.276 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -1.247 -10.952 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.778 -9.239 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.821 -8.732 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.551 -7.635 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.537 -8.280 -1.193 1.00 0.00 H new ATOM 1224 N GLY A 145 -3.358 -12.789 -3.646 1.00 0.00 N ATOM 1225 CA GLY A 145 -3.501 -13.992 -2.846 1.00 0.00 C ATOM 1226 C GLY A 145 -4.734 -14.792 -3.217 1.00 0.00 C ATOM 1227 O GLY A 145 -4.641 -15.801 -3.914 1.00 0.00 O ATOM 0 H GLY A 145 -2.588 -12.808 -4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -2.616 -14.615 -2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -3.552 -13.720 -1.792 1.00 0.00 H new ATOM 1231 N GLY A 146 -5.893 -14.340 -2.749 1.00 0.00 N ATOM 1232 CA GLY A 146 -7.133 -15.034 -3.045 1.00 0.00 C ATOM 1233 C GLY A 146 -8.341 -14.121 -2.970 1.00 0.00 C ATOM 1234 O GLY A 146 -9.479 -14.588 -2.935 1.00 0.00 O ATOM 0 H GLY A 146 -5.996 -13.506 -2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -7.073 -15.470 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -7.261 -15.859 -2.344 1.00 0.00 H new ATOM 1238 N ARG A 147 -8.093 -12.816 -2.942 1.00 0.00 N ATOM 1239 CA ARG A 147 -9.169 -11.835 -2.868 1.00 0.00 C ATOM 1240 C ARG A 147 -8.736 -10.505 -3.479 1.00 0.00 C ATOM 1241 O ARG A 147 -7.544 -10.244 -3.639 1.00 0.00 O ATOM 1242 CB ARG A 147 -9.596 -11.625 -1.414 1.00 0.00 C ATOM 1243 CG ARG A 147 -10.633 -12.627 -0.933 1.00 0.00 C ATOM 1244 CD ARG A 147 -11.204 -12.232 0.420 1.00 0.00 C ATOM 1245 NE ARG A 147 -11.863 -13.354 1.084 1.00 0.00 N ATOM 1246 CZ ARG A 147 -11.210 -14.392 1.595 1.00 0.00 C ATOM 1247 NH1 ARG A 147 -9.887 -14.450 1.518 1.00 0.00 N ATOM 1248 NH2 ARG A 147 -11.880 -15.374 2.185 1.00 0.00 N ATOM 0 H ARG A 147 -7.156 -12.413 -2.969 1.00 0.00 H new ATOM 0 HA ARG A 147 -10.016 -12.218 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -8.717 -11.689 -0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -9.998 -10.618 -1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -11.439 -12.697 -1.663 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -10.180 -13.616 -0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -10.403 -11.854 1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -11.917 -11.418 0.289 1.00 0.00 H new ATOM 0 HE ARG A 147 -12.880 -13.340 1.159 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -9.369 -13.697 1.066 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -9.388 -15.248 1.911 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -12.897 -15.332 2.246 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -11.378 -16.170 2.577 1.00 0.00 H new ATOM 1262 N GLN A 148 -9.713 -9.670 -3.818 1.00 0.00 N ATOM 1263 CA GLN A 148 -9.432 -8.368 -4.412 1.00 0.00 C ATOM 1264 C GLN A 148 -8.650 -7.486 -3.445 1.00 0.00 C ATOM 1265 O GLN A 148 -8.479 -7.830 -2.275 1.00 0.00 O ATOM 1266 CB GLN A 148 -10.736 -7.676 -4.813 1.00 0.00 C ATOM 1267 CG GLN A 148 -11.183 -7.994 -6.231 1.00 0.00 C ATOM 1268 CD GLN A 148 -12.167 -6.977 -6.775 1.00 0.00 C ATOM 1269 OE1 GLN A 148 -13.198 -6.703 -6.160 1.00 0.00 O ATOM 1270 NE2 GLN A 148 -11.853 -6.411 -7.934 1.00 0.00 N ATOM 0 H GLN A 148 -10.705 -9.871 -3.692 1.00 0.00 H new ATOM 0 HA GLN A 148 -8.824 -8.526 -5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 148 -11.523 -7.971 -4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -10.611 -6.598 -4.714 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -10.310 -8.034 -6.883 1.00 0.00 H new ATOM 0 HG3 GLN A 148 -11.641 -8.983 -6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 148 -10.988 -6.668 -8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 148 -12.477 -5.719 -8.349 1.00 0.00 H new ATOM 1279 N ILE A 149 -8.177 -6.347 -3.942 1.00 0.00 N ATOM 1280 CA ILE A 149 -7.414 -5.415 -3.121 1.00 0.00 C ATOM 1281 C ILE A 149 -7.759 -3.970 -3.465 1.00 0.00 C ATOM 1282 O ILE A 149 -8.256 -3.682 -4.554 1.00 0.00 O ATOM 1283 CB ILE A 149 -5.898 -5.624 -3.294 1.00 0.00 C ATOM 1284 CG1 ILE A 149 -5.435 -5.070 -4.643 1.00 0.00 C ATOM 1285 CG2 ILE A 149 -5.550 -7.101 -3.174 1.00 0.00 C ATOM 1286 CD1 ILE A 149 -3.942 -5.179 -4.861 1.00 0.00 C ATOM 0 H ILE A 149 -8.309 -6.048 -4.908 1.00 0.00 H new ATOM 0 HA ILE A 149 -7.684 -5.614 -2.084 1.00 0.00 H new ATOM 0 HB ILE A 149 -5.379 -5.083 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -5.950 -5.603 -5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -5.729 -4.023 -4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -4.475 -7.233 -3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -5.849 -7.467 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -6.076 -7.663 -3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -3.686 -4.767 -5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -3.419 -4.622 -4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -3.644 -6.227 -4.820 1.00 0.00 H new ATOM 1298 N ARG A 150 -7.491 -3.065 -2.530 1.00 0.00 N ATOM 1299 CA ARG A 150 -7.772 -1.649 -2.734 1.00 0.00 C ATOM 1300 C ARG A 150 -6.497 -0.819 -2.614 1.00 0.00 C ATOM 1301 O ARG A 150 -5.855 -0.794 -1.563 1.00 0.00 O ATOM 1302 CB ARG A 150 -8.808 -1.162 -1.720 1.00 0.00 C ATOM 1303 CG ARG A 150 -8.200 -0.662 -0.420 1.00 0.00 C ATOM 1304 CD ARG A 150 -9.259 -0.471 0.654 1.00 0.00 C ATOM 1305 NE ARG A 150 -10.060 0.729 0.427 1.00 0.00 N ATOM 1306 CZ ARG A 150 -11.118 1.056 1.160 1.00 0.00 C ATOM 1307 NH1 ARG A 150 -11.501 0.277 2.162 1.00 0.00 N ATOM 1308 NH2 ARG A 150 -11.796 2.164 0.892 1.00 0.00 N ATOM 0 H ARG A 150 -7.080 -3.287 -1.623 1.00 0.00 H new ATOM 0 HA ARG A 150 -8.172 -1.525 -3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 150 -9.394 -0.360 -2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 150 -9.498 -1.976 -1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 150 -7.450 -1.372 -0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 150 -7.686 0.283 -0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 150 -9.912 -1.343 0.678 1.00 0.00 H new ATOM 0 HD3 ARG A 150 -8.778 -0.406 1.630 1.00 0.00 H new ATOM 0 HE ARG A 150 -9.792 1.350 -0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 150 -10.983 -0.576 2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 150 -12.314 0.531 2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 150 -11.505 2.766 0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 150 -12.608 2.414 1.456 1.00 0.00 H new ATOM 1322 N THR A 151 -6.136 -0.139 -3.698 1.00 0.00 N ATOM 1323 CA THR A 151 -4.938 0.691 -3.715 1.00 0.00 C ATOM 1324 C THR A 151 -5.295 2.171 -3.795 1.00 0.00 C ATOM 1325 O THR A 151 -6.121 2.576 -4.612 1.00 0.00 O ATOM 1326 CB THR A 151 -4.022 0.331 -4.900 1.00 0.00 C ATOM 1327 OG1 THR A 151 -4.698 0.586 -6.136 1.00 0.00 O ATOM 1328 CG2 THR A 151 -3.604 -1.130 -4.836 1.00 0.00 C ATOM 0 H THR A 151 -6.656 -0.147 -4.575 1.00 0.00 H new ATOM 0 HA THR A 151 -4.407 0.498 -2.783 1.00 0.00 H new ATOM 0 HB THR A 151 -3.127 0.951 -4.841 1.00 0.00 H new ATOM 0 HG1 THR A 151 -4.478 1.488 -6.449 1.00 0.00 H new ATOM 0 HG21 THR A 151 -2.958 -1.361 -5.683 1.00 0.00 H new ATOM 0 HG22 THR A 151 -3.064 -1.314 -3.907 1.00 0.00 H new ATOM 0 HG23 THR A 151 -4.490 -1.764 -4.872 1.00 0.00 H new ATOM 1336 N ASN A 152 -4.668 2.973 -2.941 1.00 0.00 N ATOM 1337 CA ASN A 152 -4.920 4.409 -2.915 1.00 0.00 C ATOM 1338 C ASN A 152 -3.748 5.157 -2.287 1.00 0.00 C ATOM 1339 O ASN A 152 -2.807 4.544 -1.782 1.00 0.00 O ATOM 1340 CB ASN A 152 -6.205 4.709 -2.140 1.00 0.00 C ATOM 1341 CG ASN A 152 -6.850 6.012 -2.572 1.00 0.00 C ATOM 1342 OD1 ASN A 152 -6.785 6.392 -3.741 1.00 0.00 O ATOM 1343 ND2 ASN A 152 -7.476 6.703 -1.627 1.00 0.00 N ATOM 0 H ASN A 152 -3.982 2.653 -2.258 1.00 0.00 H new ATOM 0 HA ASN A 152 -5.036 4.750 -3.944 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -6.912 3.892 -2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -5.981 4.753 -1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -7.928 7.588 -1.857 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -7.505 6.349 -0.671 1.00 0.00 H new ATOM 1350 N TRP A 153 -3.812 6.483 -2.320 1.00 0.00 N ATOM 1351 CA TRP A 153 -2.756 7.314 -1.753 1.00 0.00 C ATOM 1352 C TRP A 153 -2.771 7.249 -0.230 1.00 0.00 C ATOM 1353 O TRP A 153 -3.829 7.333 0.393 1.00 0.00 O ATOM 1354 CB TRP A 153 -2.916 8.763 -2.216 1.00 0.00 C ATOM 1355 CG TRP A 153 -2.387 9.007 -3.597 1.00 0.00 C ATOM 1356 CD1 TRP A 153 -3.040 9.620 -4.628 1.00 0.00 C ATOM 1357 CD2 TRP A 153 -1.096 8.642 -4.097 1.00 0.00 C ATOM 1358 NE1 TRP A 153 -2.233 9.657 -5.739 1.00 0.00 N ATOM 1359 CE2 TRP A 153 -1.035 9.065 -5.439 1.00 0.00 C ATOM 1360 CE3 TRP A 153 0.014 8.002 -3.542 1.00 0.00 C ATOM 1361 CZ2 TRP A 153 0.093 8.866 -6.232 1.00 0.00 C ATOM 1362 CZ3 TRP A 153 1.133 7.804 -4.329 1.00 0.00 C ATOM 1363 CH2 TRP A 153 1.165 8.236 -5.662 1.00 0.00 C ATOM 0 H TRP A 153 -4.584 7.006 -2.733 1.00 0.00 H new ATOM 0 HA TRP A 153 -1.798 6.931 -2.104 1.00 0.00 H new ATOM 0 HB2 TRP A 153 -3.972 9.032 -2.186 1.00 0.00 H new ATOM 0 HB3 TRP A 153 -2.400 9.420 -1.516 1.00 0.00 H new ATOM 0 HD1 TRP A 153 -4.043 10.017 -4.577 1.00 0.00 H new ATOM 0 HE1 TRP A 153 -2.485 10.060 -6.641 1.00 0.00 H new ATOM 0 HE3 TRP A 153 -0.001 7.667 -2.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 153 0.120 9.197 -7.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 153 1.996 7.309 -3.910 1.00 0.00 H new ATOM 0 HH2 TRP A 153 2.054 8.068 -6.251 1.00 0.00 H new