USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 603 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 95 LYS NZ :NH3+ -132:sc= 0.00826 (180deg=-0.715) USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 33:sc= 0.241 USER MOD Single : A 79 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.52) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.225 K(o=-0.23,f=-2.7!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -170:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 MET CE :methyl -105:sc= -0.563 (180deg=-4.17!) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 199 N SER A 73 -4.578 2.441 7.136 1.00 0.00 N ATOM 200 CA SER A 73 -3.244 2.384 6.550 1.00 0.00 C ATOM 201 C SER A 73 -3.295 1.800 5.141 1.00 0.00 C ATOM 202 O SER A 73 -2.908 0.653 4.919 1.00 0.00 O ATOM 203 CB SER A 73 -2.314 1.546 7.429 1.00 0.00 C ATOM 204 OG SER A 73 -2.465 1.881 8.797 1.00 0.00 O ATOM 0 HA SER A 73 -2.856 3.401 6.489 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.529 0.487 7.285 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.280 1.705 7.125 1.00 0.00 H new ATOM 0 HG SER A 73 -3.396 2.132 8.971 1.00 0.00 H new ATOM 210 N ARG A 74 -3.774 2.599 4.193 1.00 0.00 N ATOM 211 CA ARG A 74 -3.877 2.162 2.806 1.00 0.00 C ATOM 212 C ARG A 74 -2.788 2.806 1.952 1.00 0.00 C ATOM 213 O ARG A 74 -2.596 4.022 1.985 1.00 0.00 O ATOM 214 CB ARG A 74 -5.255 2.509 2.241 1.00 0.00 C ATOM 215 CG ARG A 74 -5.557 1.833 0.913 1.00 0.00 C ATOM 216 CD ARG A 74 -7.049 1.610 0.728 1.00 0.00 C ATOM 217 NE ARG A 74 -7.345 0.883 -0.504 1.00 0.00 N ATOM 218 CZ ARG A 74 -8.550 0.843 -1.062 1.00 0.00 C ATOM 219 NH1 ARG A 74 -9.565 1.486 -0.503 1.00 0.00 N ATOM 220 NH2 ARG A 74 -8.740 0.160 -2.184 1.00 0.00 N ATOM 0 H ARG A 74 -4.097 3.552 4.360 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.744 1.081 2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.018 2.224 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.324 3.589 2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.176 2.446 0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.036 0.877 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.441 1.054 1.580 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.560 2.573 0.713 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.585 0.379 -0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.422 2.014 0.358 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.489 1.453 -0.934 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.961 -0.334 -2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.665 0.130 -2.612 1.00 0.00 H new ATOM 234 N LEU A 75 -2.079 1.982 1.188 1.00 0.00 N ATOM 235 CA LEU A 75 -1.009 2.470 0.325 1.00 0.00 C ATOM 236 C LEU A 75 -1.264 2.086 -1.129 1.00 0.00 C ATOM 237 O LEU A 75 -1.524 0.923 -1.438 1.00 0.00 O ATOM 238 CB LEU A 75 0.339 1.909 0.784 1.00 0.00 C ATOM 239 CG LEU A 75 0.975 2.596 1.993 1.00 0.00 C ATOM 240 CD1 LEU A 75 2.108 1.749 2.552 1.00 0.00 C ATOM 241 CD2 LEU A 75 1.477 3.982 1.617 1.00 0.00 C ATOM 0 H LEU A 75 -2.226 0.973 1.149 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.986 3.557 0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.209 0.852 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.037 1.967 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 75 0.215 2.706 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.549 2.253 3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.719 0.779 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.869 1.607 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.926 4.455 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.222 3.897 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.642 4.588 1.265 1.00 0.00 H new ATOM 253 N PHE A 76 -1.186 3.070 -2.018 1.00 0.00 N ATOM 254 CA PHE A 76 -1.408 2.835 -3.440 1.00 0.00 C ATOM 255 C PHE A 76 -0.085 2.611 -4.167 1.00 0.00 C ATOM 256 O PHE A 76 0.814 3.450 -4.117 1.00 0.00 O ATOM 257 CB PHE A 76 -2.151 4.018 -4.064 1.00 0.00 C ATOM 258 CG PHE A 76 -2.531 3.797 -5.501 1.00 0.00 C ATOM 259 CD1 PHE A 76 -3.384 2.764 -5.855 1.00 0.00 C ATOM 260 CD2 PHE A 76 -2.033 4.621 -6.497 1.00 0.00 C ATOM 261 CE1 PHE A 76 -3.735 2.558 -7.175 1.00 0.00 C ATOM 262 CE2 PHE A 76 -2.381 4.420 -7.819 1.00 0.00 C ATOM 263 CZ PHE A 76 -3.232 3.387 -8.159 1.00 0.00 C ATOM 0 H PHE A 76 -0.971 4.038 -1.779 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.017 1.937 -3.544 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.053 4.217 -3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.525 4.907 -3.995 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.779 2.112 -5.090 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.365 5.429 -6.237 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.402 1.750 -7.437 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.988 5.071 -8.586 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.504 3.228 -9.192 1.00 0.00 H new ATOM 273 N VAL A 77 0.027 1.471 -4.841 1.00 0.00 N ATOM 274 CA VAL A 77 1.239 1.135 -5.579 1.00 0.00 C ATOM 275 C VAL A 77 0.996 1.179 -7.084 1.00 0.00 C ATOM 276 O VAL A 77 0.143 0.463 -7.607 1.00 0.00 O ATOM 277 CB VAL A 77 1.760 -0.262 -5.195 1.00 0.00 C ATOM 278 CG1 VAL A 77 3.031 -0.589 -5.966 1.00 0.00 C ATOM 279 CG2 VAL A 77 2.000 -0.347 -3.695 1.00 0.00 C ATOM 0 H VAL A 77 -0.707 0.764 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 77 1.989 1.880 -5.313 1.00 0.00 H new ATOM 0 HB VAL A 77 1.002 -0.999 -5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.384 -1.580 -5.681 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.822 -0.571 -7.036 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.798 0.150 -5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.368 -1.341 -3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.739 0.399 -3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.066 -0.160 -3.166 1.00 0.00 H new ATOM 289 N GLY A 78 1.754 2.025 -7.775 1.00 0.00 N ATOM 290 CA GLY A 78 1.607 2.146 -9.214 1.00 0.00 C ATOM 291 C GLY A 78 2.854 1.720 -9.963 1.00 0.00 C ATOM 292 O GLY A 78 3.901 1.492 -9.359 1.00 0.00 O ATOM 0 H GLY A 78 2.467 2.628 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.764 1.538 -9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.371 3.180 -9.466 1.00 0.00 H new ATOM 296 N ASN A 79 2.741 1.609 -11.282 1.00 0.00 N ATOM 297 CA ASN A 79 3.868 1.205 -12.115 1.00 0.00 C ATOM 298 C ASN A 79 4.371 -0.179 -11.715 1.00 0.00 C ATOM 299 O ASN A 79 5.577 -0.420 -11.654 1.00 0.00 O ATOM 300 CB ASN A 79 5.004 2.224 -12.002 1.00 0.00 C ATOM 301 CG ASN A 79 5.903 2.225 -13.223 1.00 0.00 C ATOM 302 OD1 ASN A 79 6.744 1.341 -13.389 1.00 0.00 O ATOM 303 ND2 ASN A 79 5.729 3.219 -14.085 1.00 0.00 N ATOM 0 H ASN A 79 1.880 1.793 -11.798 1.00 0.00 H new ATOM 0 HA ASN A 79 3.527 1.164 -13.149 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.583 3.220 -11.863 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.599 2.004 -11.116 1.00 0.00 H new ATOM 0 HD21 ASN A 79 6.304 3.272 -14.925 1.00 0.00 H new ATOM 0 HD22 ASN A 79 5.020 3.930 -13.907 1.00 0.00 H new ATOM 310 N LEU A 80 3.438 -1.085 -11.443 1.00 0.00 N ATOM 311 CA LEU A 80 3.785 -2.447 -11.049 1.00 0.00 C ATOM 312 C LEU A 80 4.197 -3.276 -12.261 1.00 0.00 C ATOM 313 O LEU A 80 3.613 -3.176 -13.341 1.00 0.00 O ATOM 314 CB LEU A 80 2.603 -3.111 -10.341 1.00 0.00 C ATOM 315 CG LEU A 80 2.395 -2.724 -8.876 1.00 0.00 C ATOM 316 CD1 LEU A 80 1.031 -3.190 -8.390 1.00 0.00 C ATOM 317 CD2 LEU A 80 3.501 -3.309 -8.009 1.00 0.00 C ATOM 0 H LEU A 80 2.436 -0.902 -11.488 1.00 0.00 H new ATOM 0 HA LEU A 80 4.630 -2.396 -10.362 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.694 -2.871 -10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.733 -4.192 -10.396 1.00 0.00 H new ATOM 0 HG LEU A 80 2.434 -1.638 -8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.900 -2.906 -7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.251 -2.724 -8.993 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.963 -4.274 -8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.338 -3.024 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.493 -4.396 -8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.466 -2.927 -8.343 1.00 0.00 H new ATOM 329 N PRO A 81 5.227 -4.116 -12.081 1.00 0.00 N ATOM 330 CA PRO A 81 5.739 -4.981 -13.148 1.00 0.00 C ATOM 331 C PRO A 81 4.764 -6.097 -13.507 1.00 0.00 C ATOM 332 O PRO A 81 3.942 -6.522 -12.695 1.00 0.00 O ATOM 333 CB PRO A 81 7.021 -5.564 -12.549 1.00 0.00 C ATOM 334 CG PRO A 81 6.808 -5.510 -11.075 1.00 0.00 C ATOM 335 CD PRO A 81 5.971 -4.287 -10.822 1.00 0.00 C ATOM 0 HA PRO A 81 5.898 -4.432 -14.076 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.187 -6.587 -12.888 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.895 -4.984 -12.844 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.303 -6.409 -10.721 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.759 -5.449 -10.545 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.300 -4.428 -9.975 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.588 -3.417 -10.599 1.00 0.00 H new ATOM 343 N PRO A 82 4.855 -6.586 -14.753 1.00 0.00 N ATOM 344 CA PRO A 82 3.988 -7.660 -15.248 1.00 0.00 C ATOM 345 C PRO A 82 4.299 -9.002 -14.594 1.00 0.00 C ATOM 346 O PRO A 82 3.663 -10.012 -14.896 1.00 0.00 O ATOM 347 CB PRO A 82 4.303 -7.709 -16.745 1.00 0.00 C ATOM 348 CG PRO A 82 5.684 -7.161 -16.860 1.00 0.00 C ATOM 349 CD PRO A 82 5.811 -6.127 -15.775 1.00 0.00 C ATOM 0 HA PRO A 82 2.938 -7.472 -15.026 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.248 -8.728 -17.128 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.592 -7.114 -17.319 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.428 -7.948 -16.738 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.848 -6.718 -17.842 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.827 -6.079 -15.382 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.562 -5.130 -16.139 1.00 0.00 H new ATOM 357 N ASP A 83 5.279 -9.005 -13.697 1.00 0.00 N ATOM 358 CA ASP A 83 5.672 -10.224 -12.999 1.00 0.00 C ATOM 359 C ASP A 83 5.432 -10.092 -11.498 1.00 0.00 C ATOM 360 O ASP A 83 6.141 -10.694 -10.692 1.00 0.00 O ATOM 361 CB ASP A 83 7.145 -10.537 -13.267 1.00 0.00 C ATOM 362 CG ASP A 83 7.474 -10.553 -14.747 1.00 0.00 C ATOM 363 OD1 ASP A 83 7.780 -9.474 -15.298 1.00 0.00 O ATOM 364 OD2 ASP A 83 7.426 -11.643 -15.354 1.00 0.00 O ATOM 0 H ASP A 83 5.816 -8.178 -13.436 1.00 0.00 H new ATOM 0 HA ASP A 83 5.060 -11.043 -13.376 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.768 -9.795 -12.767 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.392 -11.505 -12.832 1.00 0.00 H new ATOM 369 N ILE A 84 4.430 -9.300 -11.132 1.00 0.00 N ATOM 370 CA ILE A 84 4.097 -9.090 -9.729 1.00 0.00 C ATOM 371 C ILE A 84 2.877 -9.910 -9.324 1.00 0.00 C ATOM 372 O ILE A 84 1.835 -9.859 -9.979 1.00 0.00 O ATOM 373 CB ILE A 84 3.824 -7.603 -9.432 1.00 0.00 C ATOM 374 CG1 ILE A 84 3.571 -7.398 -7.937 1.00 0.00 C ATOM 375 CG2 ILE A 84 2.640 -7.109 -10.248 1.00 0.00 C ATOM 376 CD1 ILE A 84 4.838 -7.241 -7.125 1.00 0.00 C ATOM 0 H ILE A 84 3.835 -8.793 -11.787 1.00 0.00 H new ATOM 0 HA ILE A 84 4.960 -9.416 -9.148 1.00 0.00 H new ATOM 0 HB ILE A 84 4.702 -7.023 -9.716 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.949 -6.513 -7.800 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.006 -8.247 -7.553 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.460 -6.057 -10.027 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.856 -7.225 -11.310 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.754 -7.690 -9.993 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.582 -7.100 -6.075 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.452 -8.136 -7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.394 -6.375 -7.483 1.00 0.00 H new ATOM 388 N THR A 85 3.012 -10.666 -8.239 1.00 0.00 N ATOM 389 CA THR A 85 1.921 -11.496 -7.745 1.00 0.00 C ATOM 390 C THR A 85 1.645 -11.224 -6.271 1.00 0.00 C ATOM 391 O THR A 85 2.426 -10.552 -5.599 1.00 0.00 O ATOM 392 CB THR A 85 2.228 -12.995 -7.930 1.00 0.00 C ATOM 393 OG1 THR A 85 3.371 -13.360 -7.149 1.00 0.00 O ATOM 394 CG2 THR A 85 2.483 -13.319 -9.394 1.00 0.00 C ATOM 0 H THR A 85 3.867 -10.720 -7.685 1.00 0.00 H new ATOM 0 HA THR A 85 1.038 -11.238 -8.330 1.00 0.00 H new ATOM 0 HB THR A 85 1.362 -13.565 -7.594 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.559 -14.314 -7.270 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.697 -14.383 -9.499 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.600 -13.067 -9.982 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.334 -12.740 -9.752 1.00 0.00 H new ATOM 402 N GLU A 86 0.529 -11.749 -5.775 1.00 0.00 N ATOM 403 CA GLU A 86 0.152 -11.561 -4.380 1.00 0.00 C ATOM 404 C GLU A 86 1.316 -11.893 -3.451 1.00 0.00 C ATOM 405 O GLU A 86 1.505 -11.247 -2.421 1.00 0.00 O ATOM 406 CB GLU A 86 -1.056 -12.435 -4.033 1.00 0.00 C ATOM 407 CG GLU A 86 -1.921 -11.863 -2.922 1.00 0.00 C ATOM 408 CD GLU A 86 -3.017 -10.955 -3.445 1.00 0.00 C ATOM 409 OE1 GLU A 86 -2.826 -10.357 -4.525 1.00 0.00 O ATOM 410 OE2 GLU A 86 -4.064 -10.841 -2.774 1.00 0.00 O ATOM 0 H GLU A 86 -0.129 -12.307 -6.319 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.114 -10.513 -4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.667 -12.567 -4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.706 -13.424 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.370 -12.681 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.292 -11.305 -2.228 1.00 0.00 H new ATOM 417 N GLU A 87 2.094 -12.905 -3.825 1.00 0.00 N ATOM 418 CA GLU A 87 3.239 -13.323 -3.025 1.00 0.00 C ATOM 419 C GLU A 87 4.291 -12.220 -2.963 1.00 0.00 C ATOM 420 O GLU A 87 4.692 -11.791 -1.882 1.00 0.00 O ATOM 421 CB GLU A 87 3.855 -14.599 -3.604 1.00 0.00 C ATOM 422 CG GLU A 87 3.246 -15.875 -3.048 1.00 0.00 C ATOM 423 CD GLU A 87 4.216 -17.040 -3.065 1.00 0.00 C ATOM 424 OE1 GLU A 87 4.530 -17.536 -4.167 1.00 0.00 O ATOM 425 OE2 GLU A 87 4.662 -17.456 -1.975 1.00 0.00 O ATOM 0 H GLU A 87 1.952 -13.449 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 87 2.889 -13.524 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.735 -14.591 -4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.926 -14.599 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.914 -15.699 -2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.362 -16.135 -3.630 1.00 0.00 H new ATOM 432 N GLU A 88 4.735 -11.767 -4.132 1.00 0.00 N ATOM 433 CA GLU A 88 5.742 -10.715 -4.210 1.00 0.00 C ATOM 434 C GLU A 88 5.358 -9.528 -3.332 1.00 0.00 C ATOM 435 O GLU A 88 6.197 -8.962 -2.633 1.00 0.00 O ATOM 436 CB GLU A 88 5.920 -10.256 -5.659 1.00 0.00 C ATOM 437 CG GLU A 88 6.938 -11.074 -6.435 1.00 0.00 C ATOM 438 CD GLU A 88 7.586 -10.285 -7.557 1.00 0.00 C ATOM 439 OE1 GLU A 88 6.975 -9.298 -8.018 1.00 0.00 O ATOM 440 OE2 GLU A 88 8.704 -10.655 -7.974 1.00 0.00 O ATOM 0 H GLU A 88 4.414 -12.112 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 88 6.686 -11.122 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.958 -10.310 -6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.226 -9.210 -5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.710 -11.429 -5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.450 -11.956 -6.850 1.00 0.00 H new ATOM 447 N MET A 89 4.083 -9.155 -3.376 1.00 0.00 N ATOM 448 CA MET A 89 3.586 -8.036 -2.584 1.00 0.00 C ATOM 449 C MET A 89 3.721 -8.323 -1.092 1.00 0.00 C ATOM 450 O MET A 89 4.158 -7.466 -0.323 1.00 0.00 O ATOM 451 CB MET A 89 2.124 -7.747 -2.929 1.00 0.00 C ATOM 452 CG MET A 89 1.612 -6.436 -2.357 1.00 0.00 C ATOM 453 SD MET A 89 0.261 -5.736 -3.325 1.00 0.00 S ATOM 454 CE MET A 89 0.951 -4.145 -3.769 1.00 0.00 C ATOM 0 H MET A 89 3.375 -9.611 -3.952 1.00 0.00 H new ATOM 0 HA MET A 89 4.188 -7.159 -2.824 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.012 -7.729 -4.013 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.504 -8.563 -2.558 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.274 -6.598 -1.333 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.432 -5.719 -2.313 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.231 -3.592 -4.372 1.00 0.00 H new ATOM 0 HE2 MET A 89 1.176 -3.581 -2.864 1.00 0.00 H new ATOM 0 HE3 MET A 89 1.866 -4.293 -4.342 1.00 0.00 H new ATOM 464 N ARG A 90 3.344 -9.532 -0.690 1.00 0.00 N ATOM 465 CA ARG A 90 3.422 -9.931 0.710 1.00 0.00 C ATOM 466 C ARG A 90 4.861 -9.868 1.214 1.00 0.00 C ATOM 467 O ARG A 90 5.128 -9.357 2.302 1.00 0.00 O ATOM 468 CB ARG A 90 2.868 -11.345 0.892 1.00 0.00 C ATOM 469 CG ARG A 90 1.378 -11.381 1.192 1.00 0.00 C ATOM 470 CD ARG A 90 0.906 -12.794 1.498 1.00 0.00 C ATOM 471 NE ARG A 90 0.937 -13.650 0.315 1.00 0.00 N ATOM 472 CZ ARG A 90 0.958 -14.977 0.368 1.00 0.00 C ATOM 473 NH1 ARG A 90 0.951 -15.597 1.540 1.00 0.00 N ATOM 474 NH2 ARG A 90 0.986 -15.687 -0.753 1.00 0.00 N ATOM 0 H ARG A 90 2.981 -10.253 -1.314 1.00 0.00 H new ATOM 0 HA ARG A 90 2.820 -9.235 1.294 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.062 -11.921 -0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.406 -11.835 1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.161 -10.732 2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.824 -10.988 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.536 -13.226 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.109 -12.759 1.894 1.00 0.00 H new ATOM 0 HE ARG A 90 0.943 -13.204 -0.602 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.929 -15.055 2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.967 -16.616 1.578 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.991 -15.214 -1.656 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.002 -16.706 -0.711 1.00 0.00 H new ATOM 488 N LYS A 91 5.785 -10.392 0.416 1.00 0.00 N ATOM 489 CA LYS A 91 7.197 -10.396 0.779 1.00 0.00 C ATOM 490 C LYS A 91 7.771 -8.983 0.748 1.00 0.00 C ATOM 491 O LYS A 91 8.561 -8.603 1.614 1.00 0.00 O ATOM 492 CB LYS A 91 7.987 -11.299 -0.171 1.00 0.00 C ATOM 493 CG LYS A 91 9.232 -11.901 0.456 1.00 0.00 C ATOM 494 CD LYS A 91 9.812 -13.008 -0.408 1.00 0.00 C ATOM 495 CE LYS A 91 10.657 -13.971 0.412 1.00 0.00 C ATOM 496 NZ LYS A 91 11.945 -13.355 0.837 1.00 0.00 N ATOM 0 H LYS A 91 5.581 -10.820 -0.487 1.00 0.00 H new ATOM 0 HA LYS A 91 7.284 -10.783 1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.339 -12.104 -0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.276 -10.723 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.980 -11.122 0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.989 -12.297 1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.003 -13.554 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.421 -12.572 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.097 -14.286 1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.859 -14.867 -0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.492 -14.043 1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.491 -13.077 -0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.753 -12.514 1.418 1.00 0.00 H new ATOM 510 N LEU A 92 7.368 -8.207 -0.252 1.00 0.00 N ATOM 511 CA LEU A 92 7.841 -6.835 -0.395 1.00 0.00 C ATOM 512 C LEU A 92 7.551 -6.025 0.866 1.00 0.00 C ATOM 513 O LEU A 92 8.369 -5.211 1.294 1.00 0.00 O ATOM 514 CB LEU A 92 7.181 -6.170 -1.604 1.00 0.00 C ATOM 515 CG LEU A 92 7.770 -6.524 -2.970 1.00 0.00 C ATOM 516 CD1 LEU A 92 6.783 -6.197 -4.079 1.00 0.00 C ATOM 517 CD2 LEU A 92 9.085 -5.790 -3.190 1.00 0.00 C ATOM 0 H LEU A 92 6.714 -8.505 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 92 8.920 -6.863 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.124 -6.435 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.238 -5.089 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 92 7.967 -7.596 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.220 -6.456 -5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.867 -6.769 -3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.553 -5.132 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.490 -6.054 -4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.913 -4.715 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.795 -6.075 -2.414 1.00 0.00 H new ATOM 529 N PHE A 93 6.384 -6.257 1.456 1.00 0.00 N ATOM 530 CA PHE A 93 5.986 -5.551 2.668 1.00 0.00 C ATOM 531 C PHE A 93 6.104 -6.458 3.890 1.00 0.00 C ATOM 532 O PHE A 93 5.355 -6.315 4.856 1.00 0.00 O ATOM 533 CB PHE A 93 4.551 -5.036 2.537 1.00 0.00 C ATOM 534 CG PHE A 93 4.387 -3.979 1.483 1.00 0.00 C ATOM 535 CD1 PHE A 93 4.498 -4.299 0.140 1.00 0.00 C ATOM 536 CD2 PHE A 93 4.122 -2.665 1.836 1.00 0.00 C ATOM 537 CE1 PHE A 93 4.348 -3.328 -0.832 1.00 0.00 C ATOM 538 CE2 PHE A 93 3.971 -1.690 0.868 1.00 0.00 C ATOM 539 CZ PHE A 93 4.084 -2.022 -0.468 1.00 0.00 C ATOM 0 H PHE A 93 5.697 -6.929 1.115 1.00 0.00 H new ATOM 0 HA PHE A 93 6.658 -4.703 2.801 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.893 -5.873 2.306 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.229 -4.633 3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.704 -5.318 -0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.033 -2.400 2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.437 -3.590 -1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.765 -0.670 1.156 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.966 -1.262 -1.226 1.00 0.00 H new ATOM 549 N GLU A 94 7.049 -7.392 3.837 1.00 0.00 N ATOM 550 CA GLU A 94 7.263 -8.323 4.938 1.00 0.00 C ATOM 551 C GLU A 94 7.893 -7.615 6.135 1.00 0.00 C ATOM 552 O GLU A 94 7.481 -7.817 7.278 1.00 0.00 O ATOM 553 CB GLU A 94 8.156 -9.481 4.489 1.00 0.00 C ATOM 554 CG GLU A 94 9.629 -9.117 4.405 1.00 0.00 C ATOM 555 CD GLU A 94 10.479 -10.248 3.859 1.00 0.00 C ATOM 556 OE1 GLU A 94 10.400 -11.367 4.407 1.00 0.00 O ATOM 557 OE2 GLU A 94 11.224 -10.014 2.884 1.00 0.00 O ATOM 0 H GLU A 94 7.677 -7.523 3.044 1.00 0.00 H new ATOM 0 HA GLU A 94 6.293 -8.717 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.035 -10.312 5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.820 -9.830 3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.747 -8.239 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.989 -8.843 5.397 1.00 0.00 H new ATOM 564 N LYS A 95 8.894 -6.785 5.864 1.00 0.00 N ATOM 565 CA LYS A 95 9.582 -6.046 6.916 1.00 0.00 C ATOM 566 C LYS A 95 8.583 -5.350 7.834 1.00 0.00 C ATOM 567 O LYS A 95 8.786 -5.274 9.046 1.00 0.00 O ATOM 568 CB LYS A 95 10.534 -5.015 6.305 1.00 0.00 C ATOM 569 CG LYS A 95 10.814 -3.832 7.214 1.00 0.00 C ATOM 570 CD LYS A 95 12.171 -3.213 6.922 1.00 0.00 C ATOM 571 CE LYS A 95 12.079 -2.160 5.828 1.00 0.00 C ATOM 572 NZ LYS A 95 11.958 -2.774 4.476 1.00 0.00 N ATOM 0 H LYS A 95 9.247 -6.607 4.924 1.00 0.00 H new ATOM 0 HA LYS A 95 10.158 -6.757 7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 95 11.476 -5.504 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 95 10.110 -4.651 5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.035 -3.081 7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 95 10.777 -4.155 8.254 1.00 0.00 H new ATOM 0 HD2 LYS A 95 12.569 -2.761 7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 95 12.871 -3.993 6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 95 11.218 -1.518 6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 95 12.964 -1.524 5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 12.634 -2.322 3.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 12.164 -3.792 4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.991 -2.637 4.118 1.00 0.00 H new ATOM 586 N TYR A 96 7.503 -4.843 7.249 1.00 0.00 N ATOM 587 CA TYR A 96 6.472 -4.152 8.015 1.00 0.00 C ATOM 588 C TYR A 96 5.322 -5.095 8.355 1.00 0.00 C ATOM 589 O TYR A 96 4.172 -4.673 8.473 1.00 0.00 O ATOM 590 CB TYR A 96 5.946 -2.949 7.230 1.00 0.00 C ATOM 591 CG TYR A 96 6.993 -2.284 6.366 1.00 0.00 C ATOM 592 CD1 TYR A 96 7.907 -1.391 6.912 1.00 0.00 C ATOM 593 CD2 TYR A 96 7.068 -2.549 5.004 1.00 0.00 C ATOM 594 CE1 TYR A 96 8.865 -0.781 6.125 1.00 0.00 C ATOM 595 CE2 TYR A 96 8.024 -1.944 4.211 1.00 0.00 C ATOM 596 CZ TYR A 96 8.920 -1.061 4.776 1.00 0.00 C ATOM 597 OH TYR A 96 9.874 -0.456 3.990 1.00 0.00 O ATOM 0 H TYR A 96 7.319 -4.898 6.247 1.00 0.00 H new ATOM 0 HA TYR A 96 6.918 -3.803 8.946 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.118 -3.272 6.599 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.546 -2.216 7.930 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.868 -1.170 7.968 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.367 -3.239 4.558 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.567 -0.088 6.564 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.069 -2.161 3.154 1.00 0.00 H new ATOM 0 HH TYR A 96 9.777 -0.762 3.064 1.00 0.00 H new ATOM 607 N GLY A 97 5.642 -6.376 8.512 1.00 0.00 N ATOM 608 CA GLY A 97 4.626 -7.359 8.838 1.00 0.00 C ATOM 609 C GLY A 97 3.705 -7.650 7.669 1.00 0.00 C ATOM 610 O GLY A 97 3.804 -7.017 6.618 1.00 0.00 O ATOM 0 H GLY A 97 6.586 -6.750 8.419 1.00 0.00 H new ATOM 0 HA2 GLY A 97 5.108 -8.284 9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.036 -7.001 9.681 1.00 0.00 H new ATOM 614 N LYS A 98 2.805 -8.611 7.852 1.00 0.00 N ATOM 615 CA LYS A 98 1.862 -8.986 6.805 1.00 0.00 C ATOM 616 C LYS A 98 0.800 -7.907 6.618 1.00 0.00 C ATOM 617 O LYS A 98 0.349 -7.293 7.584 1.00 0.00 O ATOM 618 CB LYS A 98 1.194 -10.320 7.146 1.00 0.00 C ATOM 619 CG LYS A 98 0.271 -10.248 8.349 1.00 0.00 C ATOM 620 CD LYS A 98 -0.232 -11.625 8.750 1.00 0.00 C ATOM 621 CE LYS A 98 0.791 -12.368 9.596 1.00 0.00 C ATOM 622 NZ LYS A 98 0.642 -12.058 11.045 1.00 0.00 N ATOM 0 H LYS A 98 2.709 -9.144 8.716 1.00 0.00 H new ATOM 0 HA LYS A 98 2.416 -9.092 5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.625 -10.663 6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.966 -11.066 7.335 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.800 -9.794 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.577 -9.602 8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.163 -11.525 9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.457 -12.206 7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.680 -13.441 9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.796 -12.101 9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.357 -12.583 11.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.773 -11.038 11.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.308 -12.336 11.364 1.00 0.00 H new ATOM 636 N ALA A 99 0.405 -7.682 5.369 1.00 0.00 N ATOM 637 CA ALA A 99 -0.606 -6.680 5.057 1.00 0.00 C ATOM 638 C ALA A 99 -2.012 -7.245 5.233 1.00 0.00 C ATOM 639 O ALA A 99 -2.270 -8.405 4.913 1.00 0.00 O ATOM 640 CB ALA A 99 -0.417 -6.164 3.638 1.00 0.00 C ATOM 0 H ALA A 99 0.770 -8.180 4.557 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.486 -5.850 5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.179 -5.416 3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.571 -5.714 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.508 -6.992 2.935 1.00 0.00 H new ATOM 646 N GLY A 100 -2.918 -6.417 5.745 1.00 0.00 N ATOM 647 CA GLY A 100 -4.286 -6.853 5.956 1.00 0.00 C ATOM 648 C GLY A 100 -5.046 -7.024 4.656 1.00 0.00 C ATOM 649 O GLY A 100 -5.825 -7.965 4.505 1.00 0.00 O ATOM 0 H GLY A 100 -2.729 -5.452 6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.283 -7.798 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.803 -6.127 6.583 1.00 0.00 H new ATOM 653 N GLU A 101 -4.821 -6.112 3.716 1.00 0.00 N ATOM 654 CA GLU A 101 -5.494 -6.166 2.423 1.00 0.00 C ATOM 655 C GLU A 101 -4.486 -6.076 1.281 1.00 0.00 C ATOM 656 O GLU A 101 -3.645 -5.178 1.249 1.00 0.00 O ATOM 657 CB GLU A 101 -6.515 -5.032 2.307 1.00 0.00 C ATOM 658 CG GLU A 101 -7.532 -5.240 1.197 1.00 0.00 C ATOM 659 CD GLU A 101 -8.443 -4.043 1.008 1.00 0.00 C ATOM 660 OE1 GLU A 101 -7.920 -2.930 0.788 1.00 0.00 O ATOM 661 OE2 GLU A 101 -9.677 -4.218 1.081 1.00 0.00 O ATOM 0 H GLU A 101 -4.178 -5.327 3.825 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.013 -7.122 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.041 -4.930 3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -5.986 -4.095 2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -7.008 -5.444 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.136 -6.119 1.423 1.00 0.00 H new ATOM 668 N VAL A 102 -4.578 -7.015 0.344 1.00 0.00 N ATOM 669 CA VAL A 102 -3.675 -7.043 -0.801 1.00 0.00 C ATOM 670 C VAL A 102 -4.434 -7.328 -2.092 1.00 0.00 C ATOM 671 O VAL A 102 -5.077 -8.368 -2.230 1.00 0.00 O ATOM 672 CB VAL A 102 -2.573 -8.104 -0.621 1.00 0.00 C ATOM 673 CG1 VAL A 102 -1.705 -8.189 -1.867 1.00 0.00 C ATOM 674 CG2 VAL A 102 -1.729 -7.792 0.606 1.00 0.00 C ATOM 0 H VAL A 102 -5.268 -7.766 0.355 1.00 0.00 H new ATOM 0 HA VAL A 102 -3.213 -6.058 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 102 -3.047 -9.074 -0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.932 -8.944 -1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -2.322 -8.463 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -1.237 -7.222 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.955 -8.552 0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.263 -6.814 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.363 -7.787 1.492 1.00 0.00 H new ATOM 684 N PHE A 103 -4.353 -6.397 -3.037 1.00 0.00 N ATOM 685 CA PHE A 103 -5.033 -6.547 -4.318 1.00 0.00 C ATOM 686 C PHE A 103 -4.151 -6.056 -5.463 1.00 0.00 C ATOM 687 O PHE A 103 -3.628 -4.942 -5.422 1.00 0.00 O ATOM 688 CB PHE A 103 -6.356 -5.778 -4.312 1.00 0.00 C ATOM 689 CG PHE A 103 -7.467 -6.502 -3.607 1.00 0.00 C ATOM 690 CD1 PHE A 103 -7.460 -6.636 -2.228 1.00 0.00 C ATOM 691 CD2 PHE A 103 -8.518 -7.050 -4.325 1.00 0.00 C ATOM 692 CE1 PHE A 103 -8.481 -7.302 -1.578 1.00 0.00 C ATOM 693 CE2 PHE A 103 -9.543 -7.718 -3.680 1.00 0.00 C ATOM 694 CZ PHE A 103 -9.524 -7.843 -2.305 1.00 0.00 C ATOM 0 H PHE A 103 -3.823 -5.531 -2.940 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.238 -7.607 -4.469 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.203 -4.811 -3.834 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.657 -5.581 -5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -6.647 -6.215 -1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.537 -6.954 -5.401 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.464 -7.400 -0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.357 -8.141 -4.251 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.324 -8.363 -1.798 1.00 0.00 H new ATOM 704 N ILE A 104 -3.992 -6.894 -6.481 1.00 0.00 N ATOM 705 CA ILE A 104 -3.174 -6.545 -7.636 1.00 0.00 C ATOM 706 C ILE A 104 -3.960 -6.703 -8.933 1.00 0.00 C ATOM 707 O ILE A 104 -4.415 -7.798 -9.267 1.00 0.00 O ATOM 708 CB ILE A 104 -1.904 -7.413 -7.710 1.00 0.00 C ATOM 709 CG1 ILE A 104 -1.028 -7.179 -6.478 1.00 0.00 C ATOM 710 CG2 ILE A 104 -1.129 -7.110 -8.983 1.00 0.00 C ATOM 711 CD1 ILE A 104 0.050 -8.224 -6.295 1.00 0.00 C ATOM 0 H ILE A 104 -4.419 -7.819 -6.530 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.884 -5.501 -7.514 1.00 0.00 H new ATOM 0 HB ILE A 104 -2.199 -8.462 -7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.561 -6.197 -6.555 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.661 -7.162 -5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.234 -7.731 -9.021 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -1.755 -7.323 -9.849 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.841 -6.059 -8.992 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.632 -7.994 -5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -0.410 -9.206 -6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.706 -8.226 -7.165 1.00 0.00 H new ATOM 723 N HIS A 105 -4.116 -5.603 -9.662 1.00 0.00 N ATOM 724 CA HIS A 105 -4.845 -5.619 -10.926 1.00 0.00 C ATOM 725 C HIS A 105 -3.901 -5.383 -12.101 1.00 0.00 C ATOM 726 O HIS A 105 -3.244 -4.345 -12.185 1.00 0.00 O ATOM 727 CB HIS A 105 -5.944 -4.556 -10.918 1.00 0.00 C ATOM 728 CG HIS A 105 -7.115 -4.899 -11.787 1.00 0.00 C ATOM 729 ND1 HIS A 105 -7.762 -3.973 -12.578 1.00 0.00 N ATOM 730 CD2 HIS A 105 -7.754 -6.075 -11.988 1.00 0.00 C ATOM 731 CE1 HIS A 105 -8.749 -4.564 -13.227 1.00 0.00 C ATOM 732 NE2 HIS A 105 -8.765 -5.841 -12.887 1.00 0.00 N ATOM 0 H HIS A 105 -3.747 -4.689 -9.400 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.301 -6.602 -11.042 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -6.291 -4.412 -9.895 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -5.522 -3.607 -11.248 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -7.513 -7.022 -11.527 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -9.427 -4.085 -13.918 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -9.422 -6.539 -13.236 1.00 0.00 H new ATOM 740 N LYS A 106 -3.838 -6.353 -13.006 1.00 0.00 N ATOM 741 CA LYS A 106 -2.976 -6.253 -14.178 1.00 0.00 C ATOM 742 C LYS A 106 -3.624 -5.394 -15.259 1.00 0.00 C ATOM 743 O LYS A 106 -3.029 -4.429 -15.738 1.00 0.00 O ATOM 744 CB LYS A 106 -2.670 -7.645 -14.733 1.00 0.00 C ATOM 745 CG LYS A 106 -1.696 -7.635 -15.898 1.00 0.00 C ATOM 746 CD LYS A 106 -2.398 -7.330 -17.210 1.00 0.00 C ATOM 747 CE LYS A 106 -1.684 -7.975 -18.388 1.00 0.00 C ATOM 748 NZ LYS A 106 -2.044 -7.325 -19.679 1.00 0.00 N ATOM 0 H LYS A 106 -4.374 -7.219 -12.950 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.044 -5.778 -13.872 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -2.261 -8.264 -13.934 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.601 -8.112 -15.053 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.920 -6.891 -15.718 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.200 -8.603 -15.967 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -3.426 -7.689 -17.166 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -2.443 -6.251 -17.357 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.606 -7.912 -18.238 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.939 -9.034 -18.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.537 -7.793 -20.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -3.069 -7.407 -19.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.778 -6.320 -19.648 1.00 0.00 H new ATOM 762 N ASP A 107 -4.847 -5.750 -15.636 1.00 0.00 N ATOM 763 CA ASP A 107 -5.577 -5.010 -16.659 1.00 0.00 C ATOM 764 C ASP A 107 -5.372 -3.507 -16.493 1.00 0.00 C ATOM 765 O ASP A 107 -5.154 -2.788 -17.469 1.00 0.00 O ATOM 766 CB ASP A 107 -7.068 -5.343 -16.593 1.00 0.00 C ATOM 767 CG ASP A 107 -7.322 -6.808 -16.294 1.00 0.00 C ATOM 768 OD1 ASP A 107 -6.453 -7.641 -16.629 1.00 0.00 O ATOM 769 OD2 ASP A 107 -8.388 -7.121 -15.725 1.00 0.00 O ATOM 0 H ASP A 107 -5.354 -6.546 -15.249 1.00 0.00 H new ATOM 0 HA ASP A 107 -5.189 -5.307 -17.633 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.540 -4.731 -15.824 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.538 -5.082 -17.541 1.00 0.00 H new ATOM 774 N LYS A 108 -5.443 -3.039 -15.252 1.00 0.00 N ATOM 775 CA LYS A 108 -5.265 -1.622 -14.957 1.00 0.00 C ATOM 776 C LYS A 108 -3.814 -1.320 -14.596 1.00 0.00 C ATOM 777 O LYS A 108 -3.321 -0.219 -14.835 1.00 0.00 O ATOM 778 CB LYS A 108 -6.186 -1.198 -13.811 1.00 0.00 C ATOM 779 CG LYS A 108 -7.661 -1.245 -14.168 1.00 0.00 C ATOM 780 CD LYS A 108 -8.045 -0.110 -15.103 1.00 0.00 C ATOM 781 CE LYS A 108 -8.187 1.206 -14.353 1.00 0.00 C ATOM 782 NZ LYS A 108 -8.487 2.338 -15.273 1.00 0.00 N ATOM 0 H LYS A 108 -5.623 -3.621 -14.433 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.524 -1.055 -15.851 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.007 -1.847 -12.953 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.927 -0.185 -13.504 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -7.892 -2.200 -14.640 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.259 -1.186 -13.258 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.289 -0.007 -15.881 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.985 -0.349 -15.601 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.983 1.119 -13.613 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -7.266 1.415 -13.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.576 3.217 -14.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.716 2.438 -15.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.379 2.151 -15.775 1.00 0.00 H new ATOM 796 N GLY A 109 -3.135 -2.306 -14.018 1.00 0.00 N ATOM 797 CA GLY A 109 -1.747 -2.126 -13.635 1.00 0.00 C ATOM 798 C GLY A 109 -1.598 -1.330 -12.353 1.00 0.00 C ATOM 799 O GLY A 109 -0.872 -0.336 -12.311 1.00 0.00 O ATOM 0 H GLY A 109 -3.521 -3.226 -13.808 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.278 -3.102 -13.510 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.214 -1.618 -14.439 1.00 0.00 H new ATOM 803 N PHE A 110 -2.288 -1.766 -11.304 1.00 0.00 N ATOM 804 CA PHE A 110 -2.232 -1.086 -10.016 1.00 0.00 C ATOM 805 C PHE A 110 -2.444 -2.071 -8.871 1.00 0.00 C ATOM 806 O PHE A 110 -3.088 -3.106 -9.039 1.00 0.00 O ATOM 807 CB PHE A 110 -3.286 0.021 -9.953 1.00 0.00 C ATOM 808 CG PHE A 110 -2.931 1.234 -10.764 1.00 0.00 C ATOM 809 CD1 PHE A 110 -1.822 1.999 -10.442 1.00 0.00 C ATOM 810 CD2 PHE A 110 -3.706 1.610 -11.850 1.00 0.00 C ATOM 811 CE1 PHE A 110 -1.493 3.116 -11.186 1.00 0.00 C ATOM 812 CE2 PHE A 110 -3.382 2.726 -12.598 1.00 0.00 C ATOM 813 CZ PHE A 110 -2.273 3.479 -12.267 1.00 0.00 C ATOM 0 H PHE A 110 -2.892 -2.587 -11.321 1.00 0.00 H new ATOM 0 HA PHE A 110 -1.242 -0.642 -9.911 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.239 -0.375 -10.305 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.428 0.318 -8.914 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.207 1.719 -9.599 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -4.574 1.024 -12.115 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.627 3.705 -10.923 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -3.996 3.009 -13.441 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.016 4.350 -12.852 1.00 0.00 H new ATOM 823 N GLY A 111 -1.898 -1.741 -7.704 1.00 0.00 N ATOM 824 CA GLY A 111 -2.037 -2.607 -6.548 1.00 0.00 C ATOM 825 C GLY A 111 -2.281 -1.831 -5.269 1.00 0.00 C ATOM 826 O GLY A 111 -1.617 -0.828 -5.006 1.00 0.00 O ATOM 0 H GLY A 111 -1.362 -0.889 -7.539 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.863 -3.299 -6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.135 -3.209 -6.438 1.00 0.00 H new ATOM 830 N PHE A 112 -3.237 -2.295 -4.471 1.00 0.00 N ATOM 831 CA PHE A 112 -3.570 -1.636 -3.213 1.00 0.00 C ATOM 832 C PHE A 112 -3.211 -2.522 -2.024 1.00 0.00 C ATOM 833 O PHE A 112 -3.594 -3.691 -1.969 1.00 0.00 O ATOM 834 CB PHE A 112 -5.059 -1.287 -3.173 1.00 0.00 C ATOM 835 CG PHE A 112 -5.533 -0.543 -4.388 1.00 0.00 C ATOM 836 CD1 PHE A 112 -5.796 -1.216 -5.571 1.00 0.00 C ATOM 837 CD2 PHE A 112 -5.717 0.830 -4.348 1.00 0.00 C ATOM 838 CE1 PHE A 112 -6.233 -0.534 -6.691 1.00 0.00 C ATOM 839 CE2 PHE A 112 -6.154 1.517 -5.465 1.00 0.00 C ATOM 840 CZ PHE A 112 -6.411 0.835 -6.638 1.00 0.00 C ATOM 0 H PHE A 112 -3.795 -3.125 -4.673 1.00 0.00 H new ATOM 0 HA PHE A 112 -2.988 -0.717 -3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.637 -2.206 -3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.259 -0.685 -2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.658 -2.286 -5.618 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.517 1.369 -3.434 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -6.435 -1.071 -7.606 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.294 2.587 -5.420 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.750 1.371 -7.512 1.00 0.00 H new ATOM 850 N ILE A 113 -2.473 -1.956 -1.074 1.00 0.00 N ATOM 851 CA ILE A 113 -2.063 -2.694 0.114 1.00 0.00 C ATOM 852 C ILE A 113 -2.511 -1.981 1.386 1.00 0.00 C ATOM 853 O ILE A 113 -2.360 -0.766 1.514 1.00 0.00 O ATOM 854 CB ILE A 113 -0.535 -2.887 0.158 1.00 0.00 C ATOM 855 CG1 ILE A 113 -0.153 -3.850 1.284 1.00 0.00 C ATOM 856 CG2 ILE A 113 0.162 -1.547 0.340 1.00 0.00 C ATOM 857 CD1 ILE A 113 1.131 -4.605 1.022 1.00 0.00 C ATOM 0 H ILE A 113 -2.147 -0.990 -1.104 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.543 -3.671 0.060 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.210 -3.318 -0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.052 -3.289 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.962 -4.565 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.241 -1.699 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.089 -0.890 -0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.166 -1.090 1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.340 -5.269 1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.027 -5.194 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.952 -3.897 0.906 1.00 0.00 H new ATOM 869 N ARG A 114 -3.060 -2.745 2.324 1.00 0.00 N ATOM 870 CA ARG A 114 -3.529 -2.187 3.586 1.00 0.00 C ATOM 871 C ARG A 114 -2.788 -2.810 4.765 1.00 0.00 C ATOM 872 O ARG A 114 -2.832 -4.024 4.968 1.00 0.00 O ATOM 873 CB ARG A 114 -5.035 -2.411 3.740 1.00 0.00 C ATOM 874 CG ARG A 114 -5.647 -1.660 4.911 1.00 0.00 C ATOM 875 CD ARG A 114 -5.606 -2.488 6.186 1.00 0.00 C ATOM 876 NE ARG A 114 -6.484 -3.652 6.111 1.00 0.00 N ATOM 877 CZ ARG A 114 -6.915 -4.317 7.177 1.00 0.00 C ATOM 878 NH1 ARG A 114 -6.551 -3.935 8.393 1.00 0.00 N ATOM 879 NH2 ARG A 114 -7.713 -5.367 7.028 1.00 0.00 N ATOM 0 H ARG A 114 -3.191 -3.753 2.234 1.00 0.00 H new ATOM 0 HA ARG A 114 -3.327 -1.116 3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -5.535 -2.104 2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.224 -3.477 3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -5.109 -0.725 5.066 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.679 -1.399 4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.584 -2.817 6.372 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -5.900 -1.866 7.032 1.00 0.00 H new ATOM 0 HE ARG A 114 -6.783 -3.972 5.190 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -5.938 -3.128 8.512 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -6.884 -4.448 9.210 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -7.996 -5.664 6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -8.043 -5.877 7.847 1.00 0.00 H new ATOM 893 N LEU A 115 -2.108 -1.972 5.539 1.00 0.00 N ATOM 894 CA LEU A 115 -1.357 -2.440 6.699 1.00 0.00 C ATOM 895 C LEU A 115 -2.165 -2.263 7.980 1.00 0.00 C ATOM 896 O LEU A 115 -3.269 -1.719 7.958 1.00 0.00 O ATOM 897 CB LEU A 115 -0.031 -1.685 6.811 1.00 0.00 C ATOM 898 CG LEU A 115 0.707 -1.426 5.497 1.00 0.00 C ATOM 899 CD1 LEU A 115 1.904 -0.516 5.727 1.00 0.00 C ATOM 900 CD2 LEU A 115 1.147 -2.738 4.865 1.00 0.00 C ATOM 0 H LEU A 115 -2.061 -0.965 5.385 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.154 -3.502 6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.222 -0.726 7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.630 -2.247 7.471 1.00 0.00 H new ATOM 0 HG LEU A 115 0.023 -0.926 4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.417 -0.343 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.564 0.436 6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.590 -0.988 6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.670 -2.534 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.814 -3.265 5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.272 -3.356 4.663 1.00 0.00 H new ATOM 912 N GLU A 116 -1.608 -2.726 9.095 1.00 0.00 N ATOM 913 CA GLU A 116 -2.278 -2.617 10.385 1.00 0.00 C ATOM 914 C GLU A 116 -2.038 -1.245 11.009 1.00 0.00 C ATOM 915 O GLU A 116 -2.947 -0.418 11.087 1.00 0.00 O ATOM 916 CB GLU A 116 -1.787 -3.713 11.333 1.00 0.00 C ATOM 917 CG GLU A 116 -2.461 -3.687 12.695 1.00 0.00 C ATOM 918 CD GLU A 116 -1.912 -4.739 13.638 1.00 0.00 C ATOM 919 OE1 GLU A 116 -2.444 -5.870 13.639 1.00 0.00 O ATOM 920 OE2 GLU A 116 -0.952 -4.433 14.376 1.00 0.00 O ATOM 0 H GLU A 116 -0.695 -3.180 9.130 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.349 -2.740 10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -1.958 -4.685 10.871 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.710 -3.610 11.468 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.331 -2.701 13.142 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.533 -3.841 12.569 1.00 0.00 H new ATOM 927 N THR A 117 -0.806 -1.010 11.452 1.00 0.00 N ATOM 928 CA THR A 117 -0.446 0.260 12.070 1.00 0.00 C ATOM 929 C THR A 117 -0.167 1.325 11.016 1.00 0.00 C ATOM 930 O THR A 117 -0.010 1.016 9.835 1.00 0.00 O ATOM 931 CB THR A 117 0.792 0.113 12.975 1.00 0.00 C ATOM 932 OG1 THR A 117 1.903 -0.369 12.211 1.00 0.00 O ATOM 933 CG2 THR A 117 0.510 -0.841 14.126 1.00 0.00 C ATOM 0 H THR A 117 -0.041 -1.683 11.394 1.00 0.00 H new ATOM 0 HA THR A 117 -1.297 0.568 12.677 1.00 0.00 H new ATOM 0 HB THR A 117 1.033 1.093 13.386 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.636 -0.609 12.815 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.398 -0.929 14.751 1.00 0.00 H new ATOM 0 HG22 THR A 117 -0.317 -0.457 14.723 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.247 -1.822 13.730 1.00 0.00 H new ATOM 941 N ARG A 118 -0.105 2.579 11.451 1.00 0.00 N ATOM 942 CA ARG A 118 0.155 3.690 10.544 1.00 0.00 C ATOM 943 C ARG A 118 1.655 3.912 10.372 1.00 0.00 C ATOM 944 O ARG A 118 2.155 4.011 9.251 1.00 0.00 O ATOM 945 CB ARG A 118 -0.504 4.968 11.066 1.00 0.00 C ATOM 946 CG ARG A 118 -0.891 5.947 9.969 1.00 0.00 C ATOM 947 CD ARG A 118 -1.185 7.328 10.533 1.00 0.00 C ATOM 948 NE ARG A 118 -0.058 7.861 11.293 1.00 0.00 N ATOM 949 CZ ARG A 118 -0.114 8.982 12.003 1.00 0.00 C ATOM 950 NH1 ARG A 118 -1.238 9.685 12.050 1.00 0.00 N ATOM 951 NH2 ARG A 118 0.954 9.403 12.668 1.00 0.00 N ATOM 0 H ARG A 118 -0.231 2.851 12.426 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.272 3.440 9.573 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.395 4.701 11.634 1.00 0.00 H new ATOM 0 HB3 ARG A 118 0.178 5.462 11.758 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -0.084 6.015 9.239 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.768 5.574 9.440 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -1.426 8.009 9.717 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -2.064 7.277 11.176 1.00 0.00 H new ATOM 0 HE ARG A 118 0.821 7.344 11.278 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -2.061 9.365 11.540 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -1.279 10.546 12.596 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.820 8.865 12.635 1.00 0.00 H new ATOM 0 HH22 ARG A 118 0.909 10.264 13.213 1.00 0.00 H new ATOM 965 N THR A 119 2.368 3.991 11.491 1.00 0.00 N ATOM 966 CA THR A 119 3.810 4.202 11.464 1.00 0.00 C ATOM 967 C THR A 119 4.468 3.373 10.367 1.00 0.00 C ATOM 968 O THR A 119 5.329 3.864 9.636 1.00 0.00 O ATOM 969 CB THR A 119 4.455 3.846 12.817 1.00 0.00 C ATOM 970 OG1 THR A 119 3.701 4.427 13.887 1.00 0.00 O ATOM 971 CG2 THR A 119 5.893 4.339 12.878 1.00 0.00 C ATOM 0 H THR A 119 1.970 3.912 12.427 1.00 0.00 H new ATOM 0 HA THR A 119 3.970 5.261 11.260 1.00 0.00 H new ATOM 0 HB THR A 119 4.455 2.761 12.920 1.00 0.00 H new ATOM 0 HG1 THR A 119 4.116 4.195 14.744 1.00 0.00 H new ATOM 0 HG21 THR A 119 6.327 4.076 13.843 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.472 3.873 12.080 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.912 5.422 12.755 1.00 0.00 H new ATOM 979 N LEU A 120 4.057 2.115 10.256 1.00 0.00 N ATOM 980 CA LEU A 120 4.606 1.217 9.246 1.00 0.00 C ATOM 981 C LEU A 120 4.299 1.725 7.841 1.00 0.00 C ATOM 982 O LEU A 120 5.159 1.703 6.961 1.00 0.00 O ATOM 983 CB LEU A 120 4.039 -0.192 9.426 1.00 0.00 C ATOM 984 CG LEU A 120 4.603 -0.999 10.596 1.00 0.00 C ATOM 985 CD1 LEU A 120 3.958 -2.374 10.657 1.00 0.00 C ATOM 986 CD2 LEU A 120 6.116 -1.122 10.478 1.00 0.00 C ATOM 0 H LEU A 120 3.345 1.693 10.853 1.00 0.00 H new ATOM 0 HA LEU A 120 5.688 1.186 9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.959 -0.114 9.552 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.213 -0.752 8.507 1.00 0.00 H new ATOM 0 HG LEU A 120 4.372 -0.471 11.521 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.372 -2.933 11.496 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.882 -2.265 10.789 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.157 -2.911 9.729 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.501 -1.699 11.319 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.368 -1.627 9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.564 -0.128 10.485 1.00 0.00 H new ATOM 998 N ALA A 121 3.069 2.185 7.639 1.00 0.00 N ATOM 999 CA ALA A 121 2.651 2.704 6.343 1.00 0.00 C ATOM 1000 C ALA A 121 3.502 3.899 5.928 1.00 0.00 C ATOM 1001 O ALA A 121 3.911 4.009 4.773 1.00 0.00 O ATOM 1002 CB ALA A 121 1.179 3.089 6.378 1.00 0.00 C ATOM 0 H ALA A 121 2.344 2.209 8.357 1.00 0.00 H new ATOM 0 HA ALA A 121 2.792 1.917 5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.881 3.475 5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 121 0.579 2.212 6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.022 3.856 7.136 1.00 0.00 H new ATOM 1008 N GLU A 122 3.765 4.790 6.878 1.00 0.00 N ATOM 1009 CA GLU A 122 4.568 5.978 6.609 1.00 0.00 C ATOM 1010 C GLU A 122 5.994 5.595 6.224 1.00 0.00 C ATOM 1011 O GLU A 122 6.458 5.914 5.129 1.00 0.00 O ATOM 1012 CB GLU A 122 4.587 6.895 7.834 1.00 0.00 C ATOM 1013 CG GLU A 122 3.458 7.912 7.851 1.00 0.00 C ATOM 1014 CD GLU A 122 3.809 9.186 7.108 1.00 0.00 C ATOM 1015 OE1 GLU A 122 5.002 9.552 7.088 1.00 0.00 O ATOM 1016 OE2 GLU A 122 2.889 9.816 6.545 1.00 0.00 O ATOM 0 H GLU A 122 3.435 4.713 7.840 1.00 0.00 H new ATOM 0 HA GLU A 122 4.115 6.510 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 122 4.528 6.285 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 122 5.540 7.422 7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 122 2.568 7.469 7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 122 3.209 8.155 8.884 1.00 0.00 H new ATOM 1023 N ILE A 123 6.682 4.911 7.131 1.00 0.00 N ATOM 1024 CA ILE A 123 8.054 4.485 6.887 1.00 0.00 C ATOM 1025 C ILE A 123 8.170 3.736 5.564 1.00 0.00 C ATOM 1026 O ILE A 123 9.066 4.002 4.764 1.00 0.00 O ATOM 1027 CB ILE A 123 8.575 3.583 8.022 1.00 0.00 C ATOM 1028 CG1 ILE A 123 8.648 4.368 9.333 1.00 0.00 C ATOM 1029 CG2 ILE A 123 9.938 3.013 7.662 1.00 0.00 C ATOM 1030 CD1 ILE A 123 8.886 3.496 10.546 1.00 0.00 C ATOM 0 H ILE A 123 6.312 4.640 8.042 1.00 0.00 H new ATOM 0 HA ILE A 123 8.662 5.389 6.845 1.00 0.00 H new ATOM 0 HB ILE A 123 7.881 2.753 8.156 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.448 5.105 9.262 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.718 4.920 9.469 1.00 0.00 H new ATOM 0 HG21 ILE A 123 10.293 2.378 8.474 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.856 2.423 6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.644 3.829 7.505 1.00 0.00 H new ATOM 0 HD11 ILE A 123 8.926 4.119 11.440 1.00 0.00 H new ATOM 0 HD12 ILE A 123 8.073 2.776 10.642 1.00 0.00 H new ATOM 0 HD13 ILE A 123 9.830 2.964 10.432 1.00 0.00 H new ATOM 1042 N ALA A 124 7.255 2.798 5.340 1.00 0.00 N ATOM 1043 CA ALA A 124 7.251 2.012 4.112 1.00 0.00 C ATOM 1044 C ALA A 124 6.904 2.880 2.906 1.00 0.00 C ATOM 1045 O ALA A 124 7.494 2.736 1.835 1.00 0.00 O ATOM 1046 CB ALA A 124 6.272 0.853 4.230 1.00 0.00 C ATOM 0 H ALA A 124 6.507 2.564 5.993 1.00 0.00 H new ATOM 0 HA ALA A 124 8.254 1.612 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.280 0.275 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.565 0.212 5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 124 5.269 1.241 4.407 1.00 0.00 H new ATOM 1052 N LYS A 125 5.944 3.779 3.087 1.00 0.00 N ATOM 1053 CA LYS A 125 5.518 4.671 2.015 1.00 0.00 C ATOM 1054 C LYS A 125 6.713 5.395 1.403 1.00 0.00 C ATOM 1055 O LYS A 125 6.851 5.462 0.181 1.00 0.00 O ATOM 1056 CB LYS A 125 4.506 5.691 2.543 1.00 0.00 C ATOM 1057 CG LYS A 125 4.035 6.681 1.492 1.00 0.00 C ATOM 1058 CD LYS A 125 4.990 7.855 1.364 1.00 0.00 C ATOM 1059 CE LYS A 125 4.360 9.005 0.593 1.00 0.00 C ATOM 1060 NZ LYS A 125 5.384 9.837 -0.097 1.00 0.00 N ATOM 0 H LYS A 125 5.445 3.910 3.967 1.00 0.00 H new ATOM 0 HA LYS A 125 5.045 4.067 1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.642 5.160 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 125 4.954 6.239 3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 125 3.946 6.177 0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 125 3.042 7.046 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 125 5.282 8.198 2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 125 5.900 7.532 0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 125 3.659 8.609 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.786 9.629 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.915 10.610 -0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 6.038 10.236 0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.915 9.247 -0.769 1.00 0.00 H new ATOM 1074 N VAL A 126 7.574 5.935 2.259 1.00 0.00 N ATOM 1075 CA VAL A 126 8.759 6.651 1.801 1.00 0.00 C ATOM 1076 C VAL A 126 9.822 5.686 1.290 1.00 0.00 C ATOM 1077 O VAL A 126 10.331 5.840 0.180 1.00 0.00 O ATOM 1078 CB VAL A 126 9.363 7.513 2.926 1.00 0.00 C ATOM 1079 CG1 VAL A 126 10.737 8.028 2.526 1.00 0.00 C ATOM 1080 CG2 VAL A 126 8.432 8.666 3.272 1.00 0.00 C ATOM 0 H VAL A 126 7.474 5.890 3.273 1.00 0.00 H new ATOM 0 HA VAL A 126 8.440 7.300 0.986 1.00 0.00 H new ATOM 0 HB VAL A 126 9.479 6.891 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 126 11.147 8.635 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 126 11.400 7.184 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.650 8.635 1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 126 8.874 9.264 4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 126 8.282 9.289 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 126 7.472 8.271 3.605 1.00 0.00 H new ATOM 1090 N GLU A 127 10.151 4.690 2.106 1.00 0.00 N ATOM 1091 CA GLU A 127 11.155 3.699 1.735 1.00 0.00 C ATOM 1092 C GLU A 127 10.832 3.080 0.378 1.00 0.00 C ATOM 1093 O GLU A 127 11.610 3.197 -0.571 1.00 0.00 O ATOM 1094 CB GLU A 127 11.240 2.603 2.800 1.00 0.00 C ATOM 1095 CG GLU A 127 12.169 2.945 3.952 1.00 0.00 C ATOM 1096 CD GLU A 127 13.633 2.827 3.576 1.00 0.00 C ATOM 1097 OE1 GLU A 127 14.045 1.737 3.127 1.00 0.00 O ATOM 1098 OE2 GLU A 127 14.367 3.826 3.730 1.00 0.00 O ATOM 0 H GLU A 127 9.738 4.548 3.028 1.00 0.00 H new ATOM 0 HA GLU A 127 12.119 4.204 1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.242 2.412 3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.580 1.679 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.965 3.961 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.959 2.283 4.792 1.00 0.00 H new ATOM 1105 N LEU A 128 9.682 2.421 0.293 1.00 0.00 N ATOM 1106 CA LEU A 128 9.256 1.783 -0.948 1.00 0.00 C ATOM 1107 C LEU A 128 9.106 2.810 -2.065 1.00 0.00 C ATOM 1108 O LEU A 128 9.528 2.576 -3.198 1.00 0.00 O ATOM 1109 CB LEU A 128 7.932 1.046 -0.737 1.00 0.00 C ATOM 1110 CG LEU A 128 7.949 -0.083 0.294 1.00 0.00 C ATOM 1111 CD1 LEU A 128 6.531 -0.505 0.647 1.00 0.00 C ATOM 1112 CD2 LEU A 128 8.746 -1.270 -0.229 1.00 0.00 C ATOM 0 H LEU A 128 9.028 2.314 1.068 1.00 0.00 H new ATOM 0 HA LEU A 128 10.023 1.065 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.178 1.774 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.613 0.633 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 128 8.433 0.284 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 128 6.563 -1.309 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 128 5.991 0.346 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 128 6.021 -0.854 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 128 8.748 -2.064 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.291 -1.637 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 128 9.771 -0.959 -0.431 1.00 0.00 H new ATOM 1124 N ASP A 129 8.506 3.949 -1.739 1.00 0.00 N ATOM 1125 CA ASP A 129 8.305 5.015 -2.714 1.00 0.00 C ATOM 1126 C ASP A 129 9.545 5.199 -3.582 1.00 0.00 C ATOM 1127 O ASP A 129 10.659 5.313 -3.073 1.00 0.00 O ATOM 1128 CB ASP A 129 7.964 6.326 -2.005 1.00 0.00 C ATOM 1129 CG ASP A 129 8.408 7.543 -2.794 1.00 0.00 C ATOM 1130 OD1 ASP A 129 8.224 7.548 -4.029 1.00 0.00 O ATOM 1131 OD2 ASP A 129 8.939 8.490 -2.176 1.00 0.00 O ATOM 0 H ASP A 129 8.150 4.158 -0.806 1.00 0.00 H new ATOM 0 HA ASP A 129 7.472 4.732 -3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.888 6.377 -1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.439 6.339 -1.024 1.00 0.00 H new ATOM 1136 N ASN A 130 9.343 5.225 -4.896 1.00 0.00 N ATOM 1137 CA ASN A 130 10.446 5.393 -5.835 1.00 0.00 C ATOM 1138 C ASN A 130 11.466 4.268 -5.684 1.00 0.00 C ATOM 1139 O ASN A 130 12.657 4.517 -5.504 1.00 0.00 O ATOM 1140 CB ASN A 130 11.127 6.746 -5.618 1.00 0.00 C ATOM 1141 CG ASN A 130 11.828 7.247 -6.866 1.00 0.00 C ATOM 1142 OD1 ASN A 130 13.057 7.244 -6.944 1.00 0.00 O ATOM 1143 ND2 ASN A 130 11.048 7.681 -7.849 1.00 0.00 N ATOM 0 H ASN A 130 8.426 5.132 -5.334 1.00 0.00 H new ATOM 0 HA ASN A 130 10.038 5.357 -6.845 1.00 0.00 H new ATOM 0 HB2 ASN A 130 10.383 7.478 -5.304 1.00 0.00 H new ATOM 0 HB3 ASN A 130 11.851 6.660 -4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 130 11.463 8.030 -8.713 1.00 0.00 H new ATOM 0 HD22 ASN A 130 10.034 7.665 -7.740 1.00 0.00 H new ATOM 1150 N MET A 131 10.989 3.030 -5.759 1.00 0.00 N ATOM 1151 CA MET A 131 11.859 1.867 -5.633 1.00 0.00 C ATOM 1152 C MET A 131 11.846 1.036 -6.912 1.00 0.00 C ATOM 1153 O MET A 131 10.792 0.692 -7.446 1.00 0.00 O ATOM 1154 CB MET A 131 11.424 1.004 -4.447 1.00 0.00 C ATOM 1155 CG MET A 131 12.262 -0.252 -4.269 1.00 0.00 C ATOM 1156 SD MET A 131 11.569 -1.381 -3.046 1.00 0.00 S ATOM 1157 CE MET A 131 10.419 -2.311 -4.057 1.00 0.00 C ATOM 0 H MET A 131 10.005 2.806 -5.906 1.00 0.00 H new ATOM 0 HA MET A 131 12.875 2.222 -5.462 1.00 0.00 H new ATOM 0 HB2 MET A 131 11.479 1.599 -3.536 1.00 0.00 H new ATOM 0 HB3 MET A 131 10.380 0.719 -4.579 1.00 0.00 H new ATOM 0 HG2 MET A 131 12.346 -0.767 -5.226 1.00 0.00 H new ATOM 0 HG3 MET A 131 13.271 0.029 -3.968 1.00 0.00 H new ATOM 0 HE1 MET A 131 9.401 -1.984 -3.845 1.00 0.00 H new ATOM 0 HE2 MET A 131 10.642 -2.143 -5.111 1.00 0.00 H new ATOM 0 HE3 MET A 131 10.513 -3.373 -3.831 1.00 0.00 H new ATOM 1167 N PRO A 132 13.044 0.707 -7.417 1.00 0.00 N ATOM 1168 CA PRO A 132 13.197 -0.087 -8.640 1.00 0.00 C ATOM 1169 C PRO A 132 12.770 -1.538 -8.446 1.00 0.00 C ATOM 1170 O PRO A 132 13.210 -2.205 -7.508 1.00 0.00 O ATOM 1171 CB PRO A 132 14.697 -0.006 -8.931 1.00 0.00 C ATOM 1172 CG PRO A 132 15.327 0.250 -7.605 1.00 0.00 C ATOM 1173 CD PRO A 132 14.343 1.084 -6.833 1.00 0.00 C ATOM 0 HA PRO A 132 12.571 0.288 -9.450 1.00 0.00 H new ATOM 0 HB2 PRO A 132 15.065 -0.932 -9.372 1.00 0.00 H new ATOM 0 HB3 PRO A 132 14.921 0.794 -9.637 1.00 0.00 H new ATOM 0 HG2 PRO A 132 15.538 -0.685 -7.086 1.00 0.00 H new ATOM 0 HG3 PRO A 132 16.277 0.772 -7.719 1.00 0.00 H new ATOM 0 HD2 PRO A 132 14.382 0.866 -5.766 1.00 0.00 H new ATOM 0 HD3 PRO A 132 14.542 2.150 -6.949 1.00 0.00 H new ATOM 1181 N LEU A 133 11.912 -2.022 -9.337 1.00 0.00 N ATOM 1182 CA LEU A 133 11.426 -3.396 -9.263 1.00 0.00 C ATOM 1183 C LEU A 133 11.424 -4.047 -10.643 1.00 0.00 C ATOM 1184 O LEU A 133 10.566 -3.757 -11.476 1.00 0.00 O ATOM 1185 CB LEU A 133 10.016 -3.428 -8.670 1.00 0.00 C ATOM 1186 CG LEU A 133 9.366 -4.807 -8.560 1.00 0.00 C ATOM 1187 CD1 LEU A 133 10.076 -5.650 -7.512 1.00 0.00 C ATOM 1188 CD2 LEU A 133 7.887 -4.674 -8.227 1.00 0.00 C ATOM 0 H LEU A 133 11.538 -1.484 -10.119 1.00 0.00 H new ATOM 0 HA LEU A 133 12.099 -3.959 -8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 133 10.052 -2.985 -7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 133 9.373 -2.793 -9.279 1.00 0.00 H new ATOM 0 HG LEU A 133 9.458 -5.309 -9.523 1.00 0.00 H new ATOM 0 HD11 LEU A 133 9.599 -6.628 -7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 133 11.122 -5.774 -7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 133 10.016 -5.153 -6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.440 -5.665 -8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.773 -4.153 -7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.386 -4.109 -9.013 1.00 0.00 H new ATOM 1200 N ARG A 134 12.390 -4.930 -10.875 1.00 0.00 N ATOM 1201 CA ARG A 134 12.500 -5.623 -12.153 1.00 0.00 C ATOM 1202 C ARG A 134 12.696 -4.631 -13.295 1.00 0.00 C ATOM 1203 O ARG A 134 12.317 -4.897 -14.435 1.00 0.00 O ATOM 1204 CB ARG A 134 11.251 -6.469 -12.407 1.00 0.00 C ATOM 1205 CG ARG A 134 11.346 -7.880 -11.850 1.00 0.00 C ATOM 1206 CD ARG A 134 12.083 -8.807 -12.803 1.00 0.00 C ATOM 1207 NE ARG A 134 12.530 -10.030 -12.142 1.00 0.00 N ATOM 1208 CZ ARG A 134 13.626 -10.104 -11.395 1.00 0.00 C ATOM 1209 NH1 ARG A 134 14.384 -9.031 -11.216 1.00 0.00 N ATOM 1210 NH2 ARG A 134 13.966 -11.253 -10.826 1.00 0.00 N ATOM 0 H ARG A 134 13.107 -5.182 -10.195 1.00 0.00 H new ATOM 0 HA ARG A 134 13.371 -6.277 -12.109 1.00 0.00 H new ATOM 0 HB2 ARG A 134 10.389 -5.970 -11.964 1.00 0.00 H new ATOM 0 HB3 ARG A 134 11.071 -6.523 -13.481 1.00 0.00 H new ATOM 0 HG2 ARG A 134 11.861 -7.859 -10.890 1.00 0.00 H new ATOM 0 HG3 ARG A 134 10.344 -8.268 -11.666 1.00 0.00 H new ATOM 0 HD2 ARG A 134 11.429 -9.064 -13.637 1.00 0.00 H new ATOM 0 HD3 ARG A 134 12.944 -8.286 -13.222 1.00 0.00 H new ATOM 0 HE ARG A 134 11.970 -10.874 -12.260 1.00 0.00 H new ATOM 0 HH11 ARG A 134 14.126 -8.146 -11.652 1.00 0.00 H new ATOM 0 HH12 ARG A 134 15.225 -9.091 -10.642 1.00 0.00 H new ATOM 0 HH21 ARG A 134 13.386 -12.081 -10.962 1.00 0.00 H new ATOM 0 HH22 ARG A 134 14.808 -11.309 -10.253 1.00 0.00 H new ATOM 1224 N GLY A 135 13.292 -3.484 -12.981 1.00 0.00 N ATOM 1225 CA GLY A 135 13.528 -2.469 -13.990 1.00 0.00 C ATOM 1226 C GLY A 135 12.413 -1.444 -14.054 1.00 0.00 C ATOM 1227 O GLY A 135 12.585 -0.362 -14.616 1.00 0.00 O ATOM 0 H GLY A 135 13.616 -3.240 -12.045 1.00 0.00 H new ATOM 0 HA2 GLY A 135 14.470 -1.963 -13.779 1.00 0.00 H new ATOM 0 HA3 GLY A 135 13.634 -2.947 -14.964 1.00 0.00 H new ATOM 1231 N LYS A 136 11.265 -1.785 -13.477 1.00 0.00 N ATOM 1232 CA LYS A 136 10.116 -0.887 -13.471 1.00 0.00 C ATOM 1233 C LYS A 136 10.021 -0.135 -12.147 1.00 0.00 C ATOM 1234 O LYS A 136 10.186 -0.721 -11.077 1.00 0.00 O ATOM 1235 CB LYS A 136 8.827 -1.674 -13.716 1.00 0.00 C ATOM 1236 CG LYS A 136 8.892 -2.586 -14.929 1.00 0.00 C ATOM 1237 CD LYS A 136 8.519 -1.847 -16.203 1.00 0.00 C ATOM 1238 CE LYS A 136 7.011 -1.794 -16.395 1.00 0.00 C ATOM 1239 NZ LYS A 136 6.602 -0.648 -17.254 1.00 0.00 N ATOM 0 H LYS A 136 11.106 -2.677 -13.008 1.00 0.00 H new ATOM 0 HA LYS A 136 10.249 -0.161 -14.273 1.00 0.00 H new ATOM 0 HB2 LYS A 136 8.604 -2.273 -12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.002 -0.973 -13.843 1.00 0.00 H new ATOM 0 HG2 LYS A 136 9.898 -2.994 -15.025 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.218 -3.431 -14.787 1.00 0.00 H new ATOM 0 HD2 LYS A 136 8.918 -0.833 -16.167 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.979 -2.341 -17.059 1.00 0.00 H new ATOM 0 HE2 LYS A 136 6.669 -2.726 -16.845 1.00 0.00 H new ATOM 0 HE3 LYS A 136 6.524 -1.712 -15.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 5.568 -0.646 -17.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.906 0.243 -16.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 7.047 -0.739 -18.190 1.00 0.00 H new ATOM 1253 N GLN A 137 9.754 1.165 -12.228 1.00 0.00 N ATOM 1254 CA GLN A 137 9.637 1.995 -11.035 1.00 0.00 C ATOM 1255 C GLN A 137 8.367 1.659 -10.260 1.00 0.00 C ATOM 1256 O GLN A 137 7.506 0.926 -10.747 1.00 0.00 O ATOM 1257 CB GLN A 137 9.638 3.477 -11.418 1.00 0.00 C ATOM 1258 CG GLN A 137 8.386 3.913 -12.163 1.00 0.00 C ATOM 1259 CD GLN A 137 8.394 5.391 -12.501 1.00 0.00 C ATOM 1260 OE1 GLN A 137 8.730 6.229 -11.664 1.00 0.00 O ATOM 1261 NE2 GLN A 137 8.023 5.718 -13.733 1.00 0.00 N ATOM 0 H GLN A 137 9.615 1.665 -13.106 1.00 0.00 H new ATOM 0 HA GLN A 137 10.495 1.791 -10.395 1.00 0.00 H new ATOM 0 HB2 GLN A 137 9.741 4.077 -10.514 1.00 0.00 H new ATOM 0 HB3 GLN A 137 10.510 3.683 -12.038 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.295 3.334 -13.082 1.00 0.00 H new ATOM 0 HG3 GLN A 137 7.509 3.688 -11.556 1.00 0.00 H new ATOM 0 HE21 GLN A 137 7.752 4.990 -14.394 1.00 0.00 H new ATOM 0 HE22 GLN A 137 8.009 6.697 -14.018 1.00 0.00 H new ATOM 1270 N LEU A 138 8.258 2.198 -9.051 1.00 0.00 N ATOM 1271 CA LEU A 138 7.093 1.955 -8.207 1.00 0.00 C ATOM 1272 C LEU A 138 6.579 3.257 -7.601 1.00 0.00 C ATOM 1273 O LEU A 138 7.277 3.910 -6.825 1.00 0.00 O ATOM 1274 CB LEU A 138 7.442 0.964 -7.096 1.00 0.00 C ATOM 1275 CG LEU A 138 7.596 -0.496 -7.523 1.00 0.00 C ATOM 1276 CD1 LEU A 138 7.960 -1.366 -6.329 1.00 0.00 C ATOM 1277 CD2 LEU A 138 6.319 -0.997 -8.181 1.00 0.00 C ATOM 0 H LEU A 138 8.962 2.806 -8.633 1.00 0.00 H new ATOM 0 HA LEU A 138 6.306 1.530 -8.830 1.00 0.00 H new ATOM 0 HB2 LEU A 138 8.373 1.285 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 138 6.667 1.018 -6.331 1.00 0.00 H new ATOM 0 HG LEU A 138 8.404 -0.558 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 138 8.065 -2.402 -6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 138 8.902 -1.022 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 138 7.174 -1.299 -5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.447 -2.038 -8.478 1.00 0.00 H new ATOM 0 HD22 LEU A 138 5.492 -0.920 -7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 138 6.102 -0.392 -9.061 1.00 0.00 H new ATOM 1289 N ARG A 139 5.353 3.626 -7.957 1.00 0.00 N ATOM 1290 CA ARG A 139 4.745 4.849 -7.447 1.00 0.00 C ATOM 1291 C ARG A 139 3.919 4.565 -6.196 1.00 0.00 C ATOM 1292 O ARG A 139 2.836 3.985 -6.273 1.00 0.00 O ATOM 1293 CB ARG A 139 3.862 5.491 -8.519 1.00 0.00 C ATOM 1294 CG ARG A 139 3.382 6.887 -8.158 1.00 0.00 C ATOM 1295 CD ARG A 139 4.460 7.930 -8.410 1.00 0.00 C ATOM 1296 NE ARG A 139 4.432 8.423 -9.785 1.00 0.00 N ATOM 1297 CZ ARG A 139 5.160 9.448 -10.212 1.00 0.00 C ATOM 1298 NH1 ARG A 139 5.968 10.086 -9.376 1.00 0.00 N ATOM 1299 NH2 ARG A 139 5.081 9.838 -11.478 1.00 0.00 N ATOM 0 H ARG A 139 4.761 3.096 -8.597 1.00 0.00 H new ATOM 0 HA ARG A 139 5.546 5.540 -7.184 1.00 0.00 H new ATOM 0 HB2 ARG A 139 4.418 5.538 -9.455 1.00 0.00 H new ATOM 0 HB3 ARG A 139 2.996 4.853 -8.695 1.00 0.00 H new ATOM 0 HG2 ARG A 139 2.495 7.130 -8.743 1.00 0.00 H new ATOM 0 HG3 ARG A 139 3.088 6.912 -7.109 1.00 0.00 H new ATOM 0 HD2 ARG A 139 4.325 8.765 -7.722 1.00 0.00 H new ATOM 0 HD3 ARG A 139 5.439 7.499 -8.199 1.00 0.00 H new ATOM 0 HE ARG A 139 3.820 7.954 -10.453 1.00 0.00 H new ATOM 0 HH11 ARG A 139 6.031 9.790 -8.402 1.00 0.00 H new ATOM 0 HH12 ARG A 139 6.526 10.873 -9.707 1.00 0.00 H new ATOM 0 HH21 ARG A 139 4.461 9.350 -12.124 1.00 0.00 H new ATOM 0 HH22 ARG A 139 5.641 10.626 -11.805 1.00 0.00 H new ATOM 1313 N VAL A 140 4.439 4.976 -5.044 1.00 0.00 N ATOM 1314 CA VAL A 140 3.750 4.766 -3.776 1.00 0.00 C ATOM 1315 C VAL A 140 3.173 6.072 -3.242 1.00 0.00 C ATOM 1316 O VAL A 140 3.905 6.931 -2.749 1.00 0.00 O ATOM 1317 CB VAL A 140 4.693 4.163 -2.718 1.00 0.00 C ATOM 1318 CG1 VAL A 140 3.939 3.887 -1.426 1.00 0.00 C ATOM 1319 CG2 VAL A 140 5.344 2.894 -3.247 1.00 0.00 C ATOM 0 H VAL A 140 5.335 5.456 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 140 2.938 4.065 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 140 5.480 4.886 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 140 4.621 3.461 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 140 3.525 4.819 -1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 140 3.130 3.183 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.007 2.481 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.572 2.164 -3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 140 5.920 3.127 -4.143 1.00 0.00 H new ATOM 1329 N ARG A 141 1.855 6.215 -3.341 1.00 0.00 N ATOM 1330 CA ARG A 141 1.179 7.417 -2.868 1.00 0.00 C ATOM 1331 C ARG A 141 -0.025 7.059 -2.002 1.00 0.00 C ATOM 1332 O ARG A 141 -0.734 6.090 -2.277 1.00 0.00 O ATOM 1333 CB ARG A 141 0.732 8.276 -4.053 1.00 0.00 C ATOM 1334 CG ARG A 141 -0.235 7.567 -4.988 1.00 0.00 C ATOM 1335 CD ARG A 141 -0.456 8.361 -6.266 1.00 0.00 C ATOM 1336 NE ARG A 141 -1.173 9.608 -6.019 1.00 0.00 N ATOM 1337 CZ ARG A 141 -2.492 9.682 -5.876 1.00 0.00 C ATOM 1338 NH1 ARG A 141 -3.233 8.585 -5.955 1.00 0.00 N ATOM 1339 NH2 ARG A 141 -3.072 10.854 -5.653 1.00 0.00 N ATOM 0 H ARG A 141 1.234 5.513 -3.745 1.00 0.00 H new ATOM 0 HA ARG A 141 1.884 7.985 -2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.260 9.183 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.611 8.585 -4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 141 0.154 6.579 -5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -1.189 7.417 -4.482 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.507 8.582 -6.726 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.018 7.755 -6.977 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.632 10.470 -5.952 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -2.791 7.682 -6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -4.245 8.644 -5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -2.505 11.700 -5.591 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -4.085 10.909 -5.543 1.00 0.00 H new ATOM 1353 N PHE A 142 -0.249 7.846 -0.955 1.00 0.00 N ATOM 1354 CA PHE A 142 -1.366 7.611 -0.048 1.00 0.00 C ATOM 1355 C PHE A 142 -2.698 7.729 -0.783 1.00 0.00 C ATOM 1356 O PHE A 142 -3.092 8.816 -1.204 1.00 0.00 O ATOM 1357 CB PHE A 142 -1.323 8.603 1.116 1.00 0.00 C ATOM 1358 CG PHE A 142 -0.303 8.256 2.163 1.00 0.00 C ATOM 1359 CD1 PHE A 142 -0.584 7.309 3.135 1.00 0.00 C ATOM 1360 CD2 PHE A 142 0.936 8.875 2.174 1.00 0.00 C ATOM 1361 CE1 PHE A 142 0.352 6.988 4.099 1.00 0.00 C ATOM 1362 CE2 PHE A 142 1.876 8.558 3.136 1.00 0.00 C ATOM 1363 CZ PHE A 142 1.584 7.612 4.099 1.00 0.00 C ATOM 0 H PHE A 142 0.328 8.652 -0.714 1.00 0.00 H new ATOM 0 HA PHE A 142 -1.276 6.598 0.344 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -1.108 9.598 0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -2.308 8.648 1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.545 6.817 3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 142 1.170 9.614 1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 142 0.120 6.249 4.852 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.838 9.049 3.135 1.00 0.00 H new ATOM 0 HZ PHE A 142 2.318 7.361 4.851 1.00 0.00 H new ATOM 1373 N ALA A 143 -3.387 6.602 -0.933 1.00 0.00 N ATOM 1374 CA ALA A 143 -4.675 6.579 -1.615 1.00 0.00 C ATOM 1375 C ALA A 143 -5.737 7.317 -0.808 1.00 0.00 C ATOM 1376 O ALA A 143 -6.430 6.720 0.017 1.00 0.00 O ATOM 1377 CB ALA A 143 -5.109 5.144 -1.874 1.00 0.00 C ATOM 0 H ALA A 143 -3.074 5.693 -0.591 1.00 0.00 H new ATOM 0 HA ALA A 143 -4.561 7.091 -2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.072 5.142 -2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -4.367 4.646 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -5.199 4.614 -0.926 1.00 0.00 H new