USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 559 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 Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.756! X(o=-0.76!,f=-0.71) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.801 USER MOD Single : A 27 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.33) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -29:sc= 0.346 USER MOD Single : A 36 LYS NZ :NH3+ 167:sc=-0.000269 (180deg=-0.0798) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -60:sc= -0.405 USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0221) USER MOD Single : A 40 MET CE :methyl -128:sc= -0.765 (180deg=-2.2!) USER MOD Single : A 50 TYR OH : rot 0:sc= -0.617 USER MOD Single : A 51 CYS SG : rot 51:sc= -2.63 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -0.607 X(o=-0.61,f=-0.49) USER MOD Single : A 68 MET CE :methyl 170:sc= -6.35! (180deg=-7.76!) USER MOD Single : A 69 ASN : amide:sc= -0.517 K(o=-0.52,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ -132:sc= 0.0287 (180deg=-0.841) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -111:sc= -1.12 (180deg=-3.22!) USER MOD Single : A 81 ASN : amide:sc= -0.673 X(o=-0.67,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.774 -0.248 -4.706 1.00 0.00 N ATOM 164 CA PRO A 8 -8.317 -0.084 -4.691 1.00 0.00 C ATOM 165 C PRO A 8 -7.589 -1.399 -4.429 1.00 0.00 C ATOM 166 O PRO A 8 -8.033 -2.215 -3.623 1.00 0.00 O ATOM 167 CB PRO A 8 -8.081 0.896 -3.540 1.00 0.00 C ATOM 168 CG PRO A 8 -9.256 0.715 -2.642 1.00 0.00 C ATOM 169 CD PRO A 8 -10.416 0.380 -3.538 1.00 0.00 C ATOM 0 HA PRO A 8 -7.937 0.266 -5.651 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.148 0.679 -3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.013 1.922 -3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.077 -0.083 -1.921 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.454 1.622 -2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.117 -0.298 -3.051 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.978 1.271 -3.819 1.00 0.00 H new ATOM 177 N ARG A 9 -6.470 -1.597 -5.117 1.00 0.00 N ATOM 178 CA ARG A 9 -5.680 -2.812 -4.959 1.00 0.00 C ATOM 179 C ARG A 9 -4.203 -2.480 -4.769 1.00 0.00 C ATOM 180 O ARG A 9 -3.371 -3.373 -4.598 1.00 0.00 O ATOM 181 CB ARG A 9 -5.858 -3.723 -6.175 1.00 0.00 C ATOM 182 CG ARG A 9 -7.194 -4.447 -6.204 1.00 0.00 C ATOM 183 CD ARG A 9 -7.415 -5.157 -7.529 1.00 0.00 C ATOM 184 NE ARG A 9 -8.834 -5.310 -7.839 1.00 0.00 N ATOM 185 CZ ARG A 9 -9.295 -5.597 -9.052 1.00 0.00 C ATOM 186 NH1 ARG A 9 -8.453 -5.761 -10.063 1.00 0.00 N ATOM 187 NH2 ARG A 9 -10.600 -5.721 -9.254 1.00 0.00 N ATOM 0 H ARG A 9 -6.090 -0.931 -5.790 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.034 -3.333 -4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.758 -3.127 -7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.055 -4.460 -6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.234 -5.172 -5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.000 -3.733 -6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.928 -4.595 -8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.943 -6.139 -7.497 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.508 -5.190 -7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.449 -5.667 -9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.809 -5.981 -10.993 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.250 -5.596 -8.478 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.953 -5.941 -10.185 1.00 0.00 H new ATOM 201 N THR A 10 -3.882 -1.191 -4.804 1.00 0.00 N ATOM 202 CA THR A 10 -2.505 -0.741 -4.638 1.00 0.00 C ATOM 203 C THR A 10 -2.319 -0.014 -3.311 1.00 0.00 C ATOM 204 O THR A 10 -3.159 0.795 -2.913 1.00 0.00 O ATOM 205 CB THR A 10 -2.077 0.192 -5.786 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.463 -0.371 -7.045 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.574 0.421 -5.766 1.00 0.00 C ATOM 0 H THR A 10 -4.557 -0.439 -4.946 1.00 0.00 H new ATOM 0 HA THR A 10 -1.878 -1.633 -4.651 1.00 0.00 H new ATOM 0 HB THR A 10 -2.576 1.152 -5.650 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.189 0.229 -7.770 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.296 1.083 -6.586 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.288 0.877 -4.818 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.059 -0.533 -5.879 1.00 0.00 H new ATOM 215 N LEU A 11 -1.217 -0.306 -2.632 1.00 0.00 N ATOM 216 CA LEU A 11 -0.920 0.321 -1.347 1.00 0.00 C ATOM 217 C LEU A 11 0.453 0.982 -1.369 1.00 0.00 C ATOM 218 O LEU A 11 1.376 0.500 -2.026 1.00 0.00 O ATOM 219 CB LEU A 11 -0.983 -0.716 -0.225 1.00 0.00 C ATOM 220 CG LEU A 11 -1.955 -1.878 -0.437 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.645 -3.015 0.524 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.392 -1.409 -0.265 1.00 0.00 C ATOM 0 H LEU A 11 -0.513 -0.973 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.670 1.091 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.016 -1.127 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.255 -0.206 0.699 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.834 -2.247 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.347 -3.833 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.628 -3.369 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.738 -2.659 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.070 -2.249 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.528 -1.014 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.610 -0.628 -0.994 1.00 0.00 H new ATOM 234 N TYR A 12 0.584 2.087 -0.644 1.00 0.00 N ATOM 235 CA TYR A 12 1.845 2.816 -0.580 1.00 0.00 C ATOM 236 C TYR A 12 2.593 2.496 0.710 1.00 0.00 C ATOM 237 O TYR A 12 2.061 2.662 1.809 1.00 0.00 O ATOM 238 CB TYR A 12 1.595 4.321 -0.678 1.00 0.00 C ATOM 239 CG TYR A 12 2.699 5.159 -0.074 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.752 5.394 1.294 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.690 5.717 -0.873 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.758 6.159 1.849 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.702 6.483 -0.326 1.00 0.00 C ATOM 244 CZ TYR A 12 4.731 6.701 1.036 1.00 0.00 C ATOM 245 OH TYR A 12 5.737 7.463 1.585 1.00 0.00 O ATOM 0 H TYR A 12 -0.169 2.498 -0.092 1.00 0.00 H new ATOM 0 HA TYR A 12 2.460 2.502 -1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.476 4.593 -1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.656 4.558 -0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.993 4.971 1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.669 5.549 -1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.783 6.332 2.915 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.465 6.908 -0.961 1.00 0.00 H new ATOM 0 HH TYR A 12 6.341 7.768 0.876 1.00 0.00 H new ATOM 255 N VAL A 13 3.833 2.037 0.570 1.00 0.00 N ATOM 256 CA VAL A 13 4.657 1.695 1.723 1.00 0.00 C ATOM 257 C VAL A 13 5.760 2.726 1.935 1.00 0.00 C ATOM 258 O VAL A 13 6.621 2.914 1.076 1.00 0.00 O ATOM 259 CB VAL A 13 5.294 0.302 1.564 1.00 0.00 C ATOM 260 CG1 VAL A 13 5.954 -0.135 2.864 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.252 -0.713 1.119 1.00 0.00 C ATOM 0 H VAL A 13 4.289 1.894 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 13 3.999 1.688 2.592 1.00 0.00 H new ATOM 0 HB VAL A 13 6.064 0.360 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.399 -1.121 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.731 0.580 3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.206 -0.177 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.720 -1.692 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.458 -0.770 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.830 -0.406 0.162 1.00 0.00 H new ATOM 271 N GLY A 14 5.728 3.391 3.086 1.00 0.00 N ATOM 272 CA GLY A 14 6.731 4.395 3.390 1.00 0.00 C ATOM 273 C GLY A 14 7.464 4.107 4.685 1.00 0.00 C ATOM 274 O GLY A 14 7.044 3.256 5.469 1.00 0.00 O ATOM 0 H GLY A 14 5.026 3.252 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.450 4.445 2.572 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.254 5.373 3.456 1.00 0.00 H new ATOM 278 N ASN A 15 8.564 4.818 4.912 1.00 0.00 N ATOM 279 CA ASN A 15 9.359 4.634 6.120 1.00 0.00 C ATOM 280 C ASN A 15 10.030 3.264 6.126 1.00 0.00 C ATOM 281 O ASN A 15 9.978 2.538 7.120 1.00 0.00 O ATOM 282 CB ASN A 15 8.479 4.788 7.363 1.00 0.00 C ATOM 283 CG ASN A 15 9.270 5.230 8.579 1.00 0.00 C ATOM 284 OD1 ASN A 15 9.414 6.424 8.840 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.788 4.265 9.330 1.00 0.00 N ATOM 0 H ASN A 15 8.925 5.527 4.274 1.00 0.00 H new ATOM 0 HA ASN A 15 10.135 5.399 6.134 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.693 5.515 7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.988 3.839 7.577 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.330 4.501 10.161 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.643 3.288 9.076 1.00 0.00 H new ATOM 292 N LEU A 16 10.658 2.914 5.010 1.00 0.00 N ATOM 293 CA LEU A 16 11.341 1.630 4.885 1.00 0.00 C ATOM 294 C LEU A 16 12.824 1.768 5.212 1.00 0.00 C ATOM 295 O LEU A 16 13.480 2.718 4.783 1.00 0.00 O ATOM 296 CB LEU A 16 11.168 1.075 3.470 1.00 0.00 C ATOM 297 CG LEU A 16 9.729 0.916 2.982 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.688 0.803 1.466 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.077 -0.298 3.628 1.00 0.00 C ATOM 0 H LEU A 16 10.709 3.501 4.177 1.00 0.00 H new ATOM 0 HA LEU A 16 10.894 0.937 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.695 1.731 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.656 0.102 3.421 1.00 0.00 H new ATOM 0 HG LEU A 16 9.167 1.803 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.655 0.690 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.114 1.703 1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.266 -0.066 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.053 -0.395 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.640 -1.195 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.071 -0.175 4.711 1.00 0.00 H new ATOM 311 N SER A 17 13.349 0.813 5.973 1.00 0.00 N ATOM 312 CA SER A 17 14.754 0.829 6.359 1.00 0.00 C ATOM 313 C SER A 17 15.656 0.710 5.133 1.00 0.00 C ATOM 314 O SER A 17 15.328 0.013 4.173 1.00 0.00 O ATOM 315 CB SER A 17 15.050 -0.312 7.335 1.00 0.00 C ATOM 316 OG SER A 17 16.350 -0.188 7.885 1.00 0.00 O ATOM 0 H SER A 17 12.822 0.018 6.334 1.00 0.00 H new ATOM 0 HA SER A 17 14.959 1.781 6.850 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.311 -0.310 8.136 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.959 -1.268 6.820 1.00 0.00 H new ATOM 0 HG SER A 17 16.514 -0.928 8.506 1.00 0.00 H new ATOM 322 N ARG A 18 16.792 1.397 5.175 1.00 0.00 N ATOM 323 CA ARG A 18 17.741 1.371 4.067 1.00 0.00 C ATOM 324 C ARG A 18 18.123 -0.063 3.713 1.00 0.00 C ATOM 325 O ARG A 18 18.683 -0.321 2.647 1.00 0.00 O ATOM 326 CB ARG A 18 18.995 2.170 4.424 1.00 0.00 C ATOM 327 CG ARG A 18 18.903 3.644 4.061 1.00 0.00 C ATOM 328 CD ARG A 18 19.299 3.887 2.614 1.00 0.00 C ATOM 329 NE ARG A 18 18.164 3.752 1.705 1.00 0.00 N ATOM 330 CZ ARG A 18 18.287 3.534 0.400 1.00 0.00 C ATOM 331 NH1 ARG A 18 19.490 3.425 -0.145 1.00 0.00 N ATOM 332 NH2 ARG A 18 17.206 3.424 -0.361 1.00 0.00 N ATOM 0 H ARG A 18 17.078 1.978 5.963 1.00 0.00 H new ATOM 0 HA ARG A 18 17.262 1.826 3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.181 2.079 5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.852 1.732 3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 18 17.885 3.997 4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.551 4.223 4.719 1.00 0.00 H new ATOM 0 HD2 ARG A 18 19.724 4.886 2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.078 3.181 2.328 1.00 0.00 H new ATOM 0 HE ARG A 18 17.224 3.829 2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.323 3.508 0.437 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.583 3.258 -1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 18 16.279 3.507 0.055 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.302 3.257 -1.363 1.00 0.00 H new ATOM 346 N ASP A 19 17.817 -0.991 4.613 1.00 0.00 N ATOM 347 CA ASP A 19 18.127 -2.399 4.394 1.00 0.00 C ATOM 348 C ASP A 19 17.002 -3.091 3.631 1.00 0.00 C ATOM 349 O ASP A 19 17.227 -4.083 2.937 1.00 0.00 O ATOM 350 CB ASP A 19 18.363 -3.104 5.731 1.00 0.00 C ATOM 351 CG ASP A 19 19.782 -2.930 6.236 1.00 0.00 C ATOM 352 OD1 ASP A 19 20.664 -2.595 5.418 1.00 0.00 O ATOM 353 OD2 ASP A 19 20.010 -3.128 7.448 1.00 0.00 O ATOM 0 H ASP A 19 17.355 -0.794 5.501 1.00 0.00 H new ATOM 0 HA ASP A 19 19.036 -2.457 3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.666 -2.713 6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.148 -4.167 5.621 1.00 0.00 H new ATOM 358 N VAL A 20 15.790 -2.564 3.766 1.00 0.00 N ATOM 359 CA VAL A 20 14.629 -3.131 3.090 1.00 0.00 C ATOM 360 C VAL A 20 14.877 -3.263 1.592 1.00 0.00 C ATOM 361 O VAL A 20 15.617 -2.476 1.001 1.00 0.00 O ATOM 362 CB VAL A 20 13.371 -2.272 3.318 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.211 -2.791 2.482 1.00 0.00 C ATOM 364 CG2 VAL A 20 13.006 -2.243 4.794 1.00 0.00 C ATOM 0 H VAL A 20 15.586 -1.744 4.338 1.00 0.00 H new ATOM 0 HA VAL A 20 14.465 -4.120 3.517 1.00 0.00 H new ATOM 0 HB VAL A 20 13.587 -1.252 3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.331 -2.172 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.478 -2.753 1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.991 -3.821 2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.115 -1.632 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.809 -3.258 5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.832 -1.819 5.365 1.00 0.00 H new ATOM 374 N THR A 21 14.251 -4.264 0.980 1.00 0.00 N ATOM 375 CA THR A 21 14.404 -4.500 -0.450 1.00 0.00 C ATOM 376 C THR A 21 13.071 -4.865 -1.093 1.00 0.00 C ATOM 377 O THR A 21 12.143 -5.303 -0.412 1.00 0.00 O ATOM 378 CB THR A 21 15.420 -5.624 -0.729 1.00 0.00 C ATOM 379 OG1 THR A 21 15.310 -6.642 0.272 1.00 0.00 O ATOM 380 CG2 THR A 21 16.839 -5.077 -0.750 1.00 0.00 C ATOM 0 H THR A 21 13.633 -4.924 1.453 1.00 0.00 H new ATOM 0 HA THR A 21 14.772 -3.571 -0.885 1.00 0.00 H new ATOM 0 HB THR A 21 15.198 -6.051 -1.707 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.958 -7.354 0.087 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.539 -5.889 -0.949 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.927 -4.323 -1.532 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.070 -4.627 0.216 1.00 0.00 H new ATOM 388 N GLU A 22 12.982 -4.684 -2.406 1.00 0.00 N ATOM 389 CA GLU A 22 11.761 -4.994 -3.140 1.00 0.00 C ATOM 390 C GLU A 22 11.329 -6.437 -2.890 1.00 0.00 C ATOM 391 O GLU A 22 10.152 -6.712 -2.654 1.00 0.00 O ATOM 392 CB GLU A 22 11.966 -4.764 -4.638 1.00 0.00 C ATOM 393 CG GLU A 22 10.778 -5.184 -5.487 1.00 0.00 C ATOM 394 CD GLU A 22 10.858 -6.632 -5.928 1.00 0.00 C ATOM 395 OE1 GLU A 22 10.583 -7.523 -5.097 1.00 0.00 O ATOM 396 OE2 GLU A 22 11.198 -6.876 -7.106 1.00 0.00 O ATOM 0 H GLU A 22 13.741 -4.324 -2.984 1.00 0.00 H new ATOM 0 HA GLU A 22 10.974 -4.329 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.169 -3.707 -4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.848 -5.315 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.859 -5.031 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.720 -4.543 -6.367 1.00 0.00 H new ATOM 403 N VAL A 23 12.289 -7.354 -2.945 1.00 0.00 N ATOM 404 CA VAL A 23 12.010 -8.768 -2.724 1.00 0.00 C ATOM 405 C VAL A 23 11.559 -9.022 -1.290 1.00 0.00 C ATOM 406 O VAL A 23 10.663 -9.831 -1.043 1.00 0.00 O ATOM 407 CB VAL A 23 13.246 -9.637 -3.024 1.00 0.00 C ATOM 408 CG1 VAL A 23 14.404 -9.249 -2.119 1.00 0.00 C ATOM 409 CG2 VAL A 23 12.908 -11.112 -2.869 1.00 0.00 C ATOM 0 H VAL A 23 13.268 -7.143 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 23 11.207 -9.043 -3.408 1.00 0.00 H new ATOM 0 HB VAL A 23 13.550 -9.463 -4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.268 -9.874 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.660 -8.202 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.116 -9.392 -1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.792 -11.712 -3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.579 -11.304 -1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.111 -11.378 -3.563 1.00 0.00 H new ATOM 419 N LEU A 24 12.185 -8.326 -0.347 1.00 0.00 N ATOM 420 CA LEU A 24 11.847 -8.475 1.064 1.00 0.00 C ATOM 421 C LEU A 24 10.390 -8.106 1.318 1.00 0.00 C ATOM 422 O LEU A 24 9.645 -8.866 1.937 1.00 0.00 O ATOM 423 CB LEU A 24 12.764 -7.602 1.924 1.00 0.00 C ATOM 424 CG LEU A 24 12.747 -7.886 3.425 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.810 -7.063 4.137 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.369 -7.597 4.006 1.00 0.00 C ATOM 0 H LEU A 24 12.929 -7.653 -0.534 1.00 0.00 H new ATOM 0 HA LEU A 24 11.990 -9.521 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.786 -7.719 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.489 -6.559 1.769 1.00 0.00 H new ATOM 0 HG LEU A 24 12.971 -8.942 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.782 -7.279 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.793 -7.317 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.617 -6.002 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.374 -7.805 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.117 -6.549 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.628 -8.230 3.517 1.00 0.00 H new ATOM 438 N ILE A 25 9.990 -6.934 0.834 1.00 0.00 N ATOM 439 CA ILE A 25 8.620 -6.465 1.006 1.00 0.00 C ATOM 440 C ILE A 25 7.622 -7.452 0.409 1.00 0.00 C ATOM 441 O ILE A 25 6.634 -7.816 1.049 1.00 0.00 O ATOM 442 CB ILE A 25 8.412 -5.085 0.355 1.00 0.00 C ATOM 443 CG1 ILE A 25 9.288 -4.036 1.042 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.946 -4.684 0.421 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.745 -3.574 2.376 1.00 0.00 C ATOM 0 H ILE A 25 10.594 -6.293 0.320 1.00 0.00 H new ATOM 0 HA ILE A 25 8.447 -6.381 2.079 1.00 0.00 H new ATOM 0 HB ILE A 25 8.705 -5.146 -0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.286 -4.448 1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.392 -3.174 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.815 -3.706 -0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.343 -5.421 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.628 -4.637 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.417 -2.831 2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.759 -3.132 2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.667 -4.426 3.052 1.00 0.00 H new ATOM 457 N LEU A 26 7.888 -7.884 -0.819 1.00 0.00 N ATOM 458 CA LEU A 26 7.014 -8.831 -1.502 1.00 0.00 C ATOM 459 C LEU A 26 6.877 -10.122 -0.700 1.00 0.00 C ATOM 460 O LEU A 26 5.835 -10.776 -0.733 1.00 0.00 O ATOM 461 CB LEU A 26 7.556 -9.140 -2.899 1.00 0.00 C ATOM 462 CG LEU A 26 7.266 -8.096 -3.978 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.822 -8.546 -5.319 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.769 -7.836 -4.078 1.00 0.00 C ATOM 0 H LEU A 26 8.701 -7.594 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 26 6.028 -8.376 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.636 -9.269 -2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.142 -10.094 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 26 7.759 -7.165 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.606 -7.790 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.901 -8.681 -5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.359 -9.490 -5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.580 -7.091 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.255 -8.762 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.399 -7.469 -3.121 1.00 0.00 H new ATOM 476 N GLN A 27 7.935 -10.480 0.019 1.00 0.00 N ATOM 477 CA GLN A 27 7.931 -11.692 0.832 1.00 0.00 C ATOM 478 C GLN A 27 6.977 -11.553 2.012 1.00 0.00 C ATOM 479 O GLN A 27 6.165 -12.441 2.275 1.00 0.00 O ATOM 480 CB GLN A 27 9.344 -11.998 1.334 1.00 0.00 C ATOM 481 CG GLN A 27 10.248 -12.608 0.275 1.00 0.00 C ATOM 482 CD GLN A 27 9.835 -14.016 -0.104 1.00 0.00 C ATOM 483 OE1 GLN A 27 9.586 -14.857 0.760 1.00 0.00 O ATOM 484 NE2 GLN A 27 9.760 -14.282 -1.403 1.00 0.00 N ATOM 0 H GLN A 27 8.805 -9.950 0.056 1.00 0.00 H new ATOM 0 HA GLN A 27 7.588 -12.517 0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.798 -11.077 1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.280 -12.680 2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.236 -11.978 -0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.274 -12.621 0.642 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.975 -13.555 -2.086 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.487 -15.213 -1.718 1.00 0.00 H new ATOM 493 N LEU A 28 7.080 -10.435 2.722 1.00 0.00 N ATOM 494 CA LEU A 28 6.227 -10.180 3.877 1.00 0.00 C ATOM 495 C LEU A 28 4.768 -10.035 3.454 1.00 0.00 C ATOM 496 O LEU A 28 3.872 -10.608 4.073 1.00 0.00 O ATOM 497 CB LEU A 28 6.686 -8.917 4.607 1.00 0.00 C ATOM 498 CG LEU A 28 8.177 -8.837 4.939 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.472 -7.603 5.776 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.629 -10.096 5.664 1.00 0.00 C ATOM 0 H LEU A 28 7.746 -9.690 2.518 1.00 0.00 H new ATOM 0 HA LEU A 28 6.308 -11.032 4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.423 -8.053 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.122 -8.834 5.536 1.00 0.00 H new ATOM 0 HG LEU A 28 8.734 -8.759 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.537 -7.563 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.185 -6.710 5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.905 -7.650 6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.692 -10.022 5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.065 -10.205 6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.454 -10.964 5.029 1.00 0.00 H new ATOM 512 N PHE A 29 4.539 -9.268 2.394 1.00 0.00 N ATOM 513 CA PHE A 29 3.190 -9.048 1.887 1.00 0.00 C ATOM 514 C PHE A 29 2.646 -10.311 1.223 1.00 0.00 C ATOM 515 O PHE A 29 1.449 -10.589 1.282 1.00 0.00 O ATOM 516 CB PHE A 29 3.178 -7.889 0.889 1.00 0.00 C ATOM 517 CG PHE A 29 3.139 -6.536 1.541 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.267 -6.016 2.155 1.00 0.00 C ATOM 519 CD2 PHE A 29 1.974 -5.787 1.543 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.234 -4.771 2.756 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.935 -4.542 2.142 1.00 0.00 C ATOM 522 CZ PHE A 29 3.067 -4.034 2.750 1.00 0.00 C ATOM 0 H PHE A 29 5.270 -8.788 1.869 1.00 0.00 H new ATOM 0 HA PHE A 29 2.549 -8.796 2.732 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.065 -7.954 0.258 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.313 -7.993 0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.182 -6.589 2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.086 -6.180 1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.120 -4.376 3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.021 -3.967 2.135 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.039 -3.062 3.220 1.00 0.00 H new ATOM 532 N SER A 30 3.535 -11.070 0.591 1.00 0.00 N ATOM 533 CA SER A 30 3.146 -12.299 -0.088 1.00 0.00 C ATOM 534 C SER A 30 2.556 -13.302 0.899 1.00 0.00 C ATOM 535 O SER A 30 1.631 -14.042 0.569 1.00 0.00 O ATOM 536 CB SER A 30 4.350 -12.916 -0.801 1.00 0.00 C ATOM 537 OG SER A 30 4.128 -14.287 -1.084 1.00 0.00 O ATOM 0 H SER A 30 4.530 -10.855 0.535 1.00 0.00 H new ATOM 0 HA SER A 30 2.384 -12.051 -0.826 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.543 -12.377 -1.728 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.239 -12.809 -0.179 1.00 0.00 H new ATOM 0 HG SER A 30 4.912 -14.658 -1.541 1.00 0.00 H new ATOM 543 N GLN A 31 3.099 -13.317 2.113 1.00 0.00 N ATOM 544 CA GLN A 31 2.628 -14.229 3.148 1.00 0.00 C ATOM 545 C GLN A 31 1.146 -14.008 3.434 1.00 0.00 C ATOM 546 O GLN A 31 0.436 -14.935 3.825 1.00 0.00 O ATOM 547 CB GLN A 31 3.441 -14.041 4.430 1.00 0.00 C ATOM 548 CG GLN A 31 4.881 -14.514 4.313 1.00 0.00 C ATOM 549 CD GLN A 31 5.448 -14.989 5.636 1.00 0.00 C ATOM 550 OE1 GLN A 31 5.757 -16.169 5.805 1.00 0.00 O ATOM 551 NE2 GLN A 31 5.589 -14.070 6.584 1.00 0.00 N ATOM 0 H GLN A 31 3.864 -12.708 2.403 1.00 0.00 H new ATOM 0 HA GLN A 31 2.761 -15.249 2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.435 -12.986 4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.954 -14.582 5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.935 -15.325 3.587 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.497 -13.701 3.929 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.320 -13.103 6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.966 -14.331 7.495 1.00 0.00 H new ATOM 560 N ILE A 32 0.688 -12.777 3.238 1.00 0.00 N ATOM 561 CA ILE A 32 -0.709 -12.436 3.475 1.00 0.00 C ATOM 562 C ILE A 32 -1.561 -12.720 2.241 1.00 0.00 C ATOM 563 O ILE A 32 -2.618 -13.340 2.335 1.00 0.00 O ATOM 564 CB ILE A 32 -0.869 -10.955 3.865 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.067 -10.650 5.132 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.339 -10.616 4.067 1.00 0.00 C ATOM 567 CD1 ILE A 32 0.079 -9.170 5.412 1.00 0.00 C ATOM 0 H ILE A 32 1.264 -11.999 2.916 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.050 -13.060 4.301 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.482 -10.337 3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.553 -11.127 5.983 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.924 -11.094 5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.436 -9.566 4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.885 -10.800 3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.750 -11.239 4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.658 -9.028 6.324 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.592 -8.691 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.908 -8.724 5.536 1.00 0.00 H new ATOM 579 N GLY A 33 -1.090 -12.263 1.085 1.00 0.00 N ATOM 580 CA GLY A 33 -1.819 -12.478 -0.151 1.00 0.00 C ATOM 581 C GLY A 33 -0.933 -12.360 -1.375 1.00 0.00 C ATOM 582 O GLY A 33 0.222 -11.943 -1.293 1.00 0.00 O ATOM 0 H GLY A 33 -0.216 -11.747 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.277 -13.467 -0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.630 -11.753 -0.222 1.00 0.00 H new ATOM 586 N PRO A 34 -1.478 -12.734 -2.542 1.00 0.00 N ATOM 587 CA PRO A 34 -0.746 -12.676 -3.811 1.00 0.00 C ATOM 588 C PRO A 34 -0.497 -11.245 -4.274 1.00 0.00 C ATOM 589 O PRO A 34 -1.432 -10.453 -4.402 1.00 0.00 O ATOM 590 CB PRO A 34 -1.675 -13.400 -4.789 1.00 0.00 C ATOM 591 CG PRO A 34 -3.036 -13.242 -4.206 1.00 0.00 C ATOM 592 CD PRO A 34 -2.849 -13.240 -2.714 1.00 0.00 C ATOM 0 HA PRO A 34 0.244 -13.124 -3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.618 -12.963 -5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.406 -14.452 -4.886 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.500 -12.315 -4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.691 -14.056 -4.516 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.579 -12.599 -2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.964 -14.239 -2.293 1.00 0.00 H new ATOM 600 N CYS A 35 0.766 -10.919 -4.522 1.00 0.00 N ATOM 601 CA CYS A 35 1.138 -9.582 -4.970 1.00 0.00 C ATOM 602 C CYS A 35 1.337 -9.551 -6.481 1.00 0.00 C ATOM 603 O CYS A 35 2.135 -10.311 -7.030 1.00 0.00 O ATOM 604 CB CYS A 35 2.415 -9.122 -4.266 1.00 0.00 C ATOM 605 SG CYS A 35 2.311 -9.142 -2.461 1.00 0.00 S ATOM 0 H CYS A 35 1.551 -11.563 -4.420 1.00 0.00 H new ATOM 0 HA CYS A 35 0.326 -8.901 -4.714 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.240 -9.762 -4.579 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.654 -8.110 -4.594 1.00 0.00 H new ATOM 0 HG CYS A 35 1.078 -8.951 -2.095 1.00 0.00 H new ATOM 611 N LYS A 36 0.604 -8.667 -7.151 1.00 0.00 N ATOM 612 CA LYS A 36 0.699 -8.535 -8.601 1.00 0.00 C ATOM 613 C LYS A 36 2.081 -8.039 -9.013 1.00 0.00 C ATOM 614 O LYS A 36 2.739 -8.639 -9.862 1.00 0.00 O ATOM 615 CB LYS A 36 -0.376 -7.576 -9.117 1.00 0.00 C ATOM 616 CG LYS A 36 -0.836 -7.884 -10.531 1.00 0.00 C ATOM 617 CD LYS A 36 -1.919 -8.949 -10.545 1.00 0.00 C ATOM 618 CE LYS A 36 -3.304 -8.340 -10.386 1.00 0.00 C ATOM 619 NZ LYS A 36 -3.755 -7.656 -11.629 1.00 0.00 N ATOM 0 H LYS A 36 -0.063 -8.031 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 36 0.541 -9.519 -9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.236 -7.613 -8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.011 -6.557 -9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.213 -6.974 -10.998 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.013 -8.220 -11.126 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.871 -9.506 -11.481 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.740 -9.662 -9.740 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.016 -9.122 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.295 -7.627 -9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.772 -7.449 -11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.228 -6.767 -11.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.581 -8.273 -12.448 1.00 0.00 H new ATOM 633 N SER A 37 2.515 -6.940 -8.406 1.00 0.00 N ATOM 634 CA SER A 37 3.818 -6.360 -8.711 1.00 0.00 C ATOM 635 C SER A 37 4.220 -5.339 -7.652 1.00 0.00 C ATOM 636 O SER A 37 3.370 -4.664 -7.071 1.00 0.00 O ATOM 637 CB SER A 37 3.795 -5.701 -10.092 1.00 0.00 C ATOM 638 OG SER A 37 3.075 -4.480 -10.061 1.00 0.00 O ATOM 0 H SER A 37 1.983 -6.432 -7.699 1.00 0.00 H new ATOM 0 HA SER A 37 4.555 -7.163 -8.712 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.815 -5.517 -10.428 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.339 -6.378 -10.814 1.00 0.00 H new ATOM 0 HG SER A 37 3.076 -4.077 -10.954 1.00 0.00 H new ATOM 644 N CYS A 38 5.522 -5.231 -7.409 1.00 0.00 N ATOM 645 CA CYS A 38 6.039 -4.292 -6.419 1.00 0.00 C ATOM 646 C CYS A 38 7.137 -3.420 -7.020 1.00 0.00 C ATOM 647 O CYS A 38 8.073 -3.922 -7.642 1.00 0.00 O ATOM 648 CB CYS A 38 6.578 -5.046 -5.203 1.00 0.00 C ATOM 649 SG CYS A 38 7.453 -4.001 -4.015 1.00 0.00 S ATOM 0 H CYS A 38 6.238 -5.781 -7.883 1.00 0.00 H new ATOM 0 HA CYS A 38 5.219 -3.647 -6.103 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.747 -5.537 -4.696 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.252 -5.831 -5.545 1.00 0.00 H new ATOM 0 HG CYS A 38 8.471 -3.441 -4.597 1.00 0.00 H new ATOM 655 N LYS A 39 7.015 -2.110 -6.830 1.00 0.00 N ATOM 656 CA LYS A 39 7.996 -1.167 -7.353 1.00 0.00 C ATOM 657 C LYS A 39 8.564 -0.298 -6.235 1.00 0.00 C ATOM 658 O LYS A 39 7.866 0.549 -5.679 1.00 0.00 O ATOM 659 CB LYS A 39 7.360 -0.281 -8.428 1.00 0.00 C ATOM 660 CG LYS A 39 8.287 0.805 -8.947 1.00 0.00 C ATOM 661 CD LYS A 39 7.538 1.814 -9.802 1.00 0.00 C ATOM 662 CE LYS A 39 8.486 2.595 -10.700 1.00 0.00 C ATOM 663 NZ LYS A 39 8.937 1.786 -11.867 1.00 0.00 N ATOM 0 H LYS A 39 6.246 -1.678 -6.318 1.00 0.00 H new ATOM 0 HA LYS A 39 8.812 -1.738 -7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.044 -0.907 -9.263 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.462 0.183 -8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.757 1.316 -8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.087 0.353 -9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.799 1.297 -10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.993 2.504 -9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.989 3.498 -11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.353 2.914 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.455 2.395 -12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.561 1.022 -11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.110 1.376 -12.346 1.00 0.00 H new ATOM 677 N MET A 40 9.835 -0.515 -5.912 1.00 0.00 N ATOM 678 CA MET A 40 10.497 0.250 -4.862 1.00 0.00 C ATOM 679 C MET A 40 11.081 1.545 -5.419 1.00 0.00 C ATOM 680 O MET A 40 11.969 1.519 -6.272 1.00 0.00 O ATOM 681 CB MET A 40 11.603 -0.585 -4.214 1.00 0.00 C ATOM 682 CG MET A 40 12.410 0.177 -3.174 1.00 0.00 C ATOM 683 SD MET A 40 13.475 -0.898 -2.195 1.00 0.00 S ATOM 684 CE MET A 40 12.403 -1.268 -0.809 1.00 0.00 C ATOM 0 H MET A 40 10.426 -1.214 -6.362 1.00 0.00 H new ATOM 0 HA MET A 40 9.753 0.503 -4.107 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.157 -1.462 -3.745 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.276 -0.947 -4.991 1.00 0.00 H new ATOM 0 HG2 MET A 40 13.021 0.929 -3.674 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.729 0.709 -2.510 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.927 -1.057 0.123 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.506 -0.652 -0.868 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.123 -2.321 -0.837 1.00 0.00 H new ATOM 694 N ILE A 41 10.578 2.674 -4.931 1.00 0.00 N ATOM 695 CA ILE A 41 11.051 3.977 -5.380 1.00 0.00 C ATOM 696 C ILE A 41 11.845 4.681 -4.286 1.00 0.00 C ATOM 697 O ILE A 41 11.290 5.089 -3.264 1.00 0.00 O ATOM 698 CB ILE A 41 9.882 4.882 -5.814 1.00 0.00 C ATOM 699 CG1 ILE A 41 8.827 4.065 -6.563 1.00 0.00 C ATOM 700 CG2 ILE A 41 10.390 6.024 -6.681 1.00 0.00 C ATOM 701 CD1 ILE A 41 7.910 4.906 -7.422 1.00 0.00 C ATOM 0 H ILE A 41 9.843 2.712 -4.225 1.00 0.00 H new ATOM 0 HA ILE A 41 11.699 3.798 -6.238 1.00 0.00 H new ATOM 0 HB ILE A 41 9.420 5.307 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.328 3.330 -7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.228 3.511 -5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.552 6.654 -6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.108 6.618 -6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.874 5.619 -7.570 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.188 4.261 -7.923 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.381 5.624 -6.795 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.499 5.440 -8.168 1.00 0.00 H new ATOM 810 N PRO A 49 12.854 6.036 1.919 1.00 0.00 N ATOM 811 CA PRO A 49 12.387 5.417 0.674 1.00 0.00 C ATOM 812 C PRO A 49 10.966 4.876 0.795 1.00 0.00 C ATOM 813 O PRO A 49 10.408 4.808 1.890 1.00 0.00 O ATOM 814 CB PRO A 49 13.378 4.272 0.453 1.00 0.00 C ATOM 815 CG PRO A 49 13.888 3.944 1.813 1.00 0.00 C ATOM 816 CD PRO A 49 13.907 5.242 2.573 1.00 0.00 C ATOM 0 HA PRO A 49 12.351 6.131 -0.148 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.892 3.411 -0.006 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.188 4.572 -0.212 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.246 3.213 2.305 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.886 3.508 1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.697 5.091 3.632 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.879 5.732 2.508 1.00 0.00 H new ATOM 824 N TYR A 50 10.387 4.491 -0.337 1.00 0.00 N ATOM 825 CA TYR A 50 9.031 3.957 -0.359 1.00 0.00 C ATOM 826 C TYR A 50 8.838 3.005 -1.535 1.00 0.00 C ATOM 827 O TYR A 50 9.500 3.133 -2.566 1.00 0.00 O ATOM 828 CB TYR A 50 8.012 5.096 -0.438 1.00 0.00 C ATOM 829 CG TYR A 50 7.941 5.750 -1.799 1.00 0.00 C ATOM 830 CD1 TYR A 50 8.961 6.583 -2.246 1.00 0.00 C ATOM 831 CD2 TYR A 50 6.854 5.538 -2.638 1.00 0.00 C ATOM 832 CE1 TYR A 50 8.899 7.183 -3.488 1.00 0.00 C ATOM 833 CE2 TYR A 50 6.785 6.134 -3.883 1.00 0.00 C ATOM 834 CZ TYR A 50 7.810 6.955 -4.303 1.00 0.00 C ATOM 835 OH TYR A 50 7.745 7.551 -5.541 1.00 0.00 O ATOM 0 H TYR A 50 10.836 4.539 -1.252 1.00 0.00 H new ATOM 0 HA TYR A 50 8.873 3.400 0.565 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.027 4.710 -0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.265 5.851 0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.816 6.764 -1.611 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.049 4.896 -2.312 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.699 7.828 -3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.933 5.958 -4.523 1.00 0.00 H new ATOM 0 HH TYR A 50 8.545 8.099 -5.683 1.00 0.00 H new ATOM 845 N CYS A 51 7.927 2.051 -1.373 1.00 0.00 N ATOM 846 CA CYS A 51 7.646 1.076 -2.421 1.00 0.00 C ATOM 847 C CYS A 51 6.145 0.852 -2.566 1.00 0.00 C ATOM 848 O CYS A 51 5.394 0.959 -1.597 1.00 0.00 O ATOM 849 CB CYS A 51 8.346 -0.249 -2.115 1.00 0.00 C ATOM 850 SG CYS A 51 7.762 -1.059 -0.607 1.00 0.00 S ATOM 0 H CYS A 51 7.371 1.932 -0.526 1.00 0.00 H new ATOM 0 HA CYS A 51 8.028 1.470 -3.363 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.204 -0.926 -2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.418 -0.070 -2.027 1.00 0.00 H new ATOM 0 HG CYS A 51 6.465 -1.139 -0.632 1.00 0.00 H new ATOM 856 N PHE A 52 5.714 0.540 -3.784 1.00 0.00 N ATOM 857 CA PHE A 52 4.301 0.303 -4.057 1.00 0.00 C ATOM 858 C PHE A 52 4.005 -1.192 -4.129 1.00 0.00 C ATOM 859 O PHE A 52 4.778 -1.963 -4.697 1.00 0.00 O ATOM 860 CB PHE A 52 3.892 0.978 -5.368 1.00 0.00 C ATOM 861 CG PHE A 52 3.841 2.477 -5.279 1.00 0.00 C ATOM 862 CD1 PHE A 52 2.982 3.103 -4.390 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.653 3.259 -6.085 1.00 0.00 C ATOM 864 CE1 PHE A 52 2.933 4.481 -4.308 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.608 4.638 -6.007 1.00 0.00 C ATOM 866 CZ PHE A 52 3.747 5.250 -5.116 1.00 0.00 C ATOM 0 H PHE A 52 6.322 0.445 -4.597 1.00 0.00 H new ATOM 0 HA PHE A 52 3.722 0.732 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.596 0.692 -6.150 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.913 0.606 -5.669 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.344 2.507 -3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.329 2.785 -6.782 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.258 4.957 -3.612 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.245 5.237 -6.641 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.711 6.327 -5.052 1.00 0.00 H new ATOM 876 N VAL A 53 2.880 -1.595 -3.545 1.00 0.00 N ATOM 877 CA VAL A 53 2.480 -2.997 -3.543 1.00 0.00 C ATOM 878 C VAL A 53 1.069 -3.168 -4.096 1.00 0.00 C ATOM 879 O VAL A 53 0.102 -2.682 -3.511 1.00 0.00 O ATOM 880 CB VAL A 53 2.540 -3.594 -2.124 1.00 0.00 C ATOM 881 CG1 VAL A 53 2.046 -5.034 -2.130 1.00 0.00 C ATOM 882 CG2 VAL A 53 3.953 -3.509 -1.569 1.00 0.00 C ATOM 0 H VAL A 53 2.230 -0.970 -3.068 1.00 0.00 H new ATOM 0 HA VAL A 53 3.184 -3.528 -4.184 1.00 0.00 H new ATOM 0 HB VAL A 53 1.885 -3.012 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.095 -5.440 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.015 -5.064 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.673 -5.631 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.976 -3.935 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.632 -4.065 -2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.265 -2.466 -1.527 1.00 0.00 H new ATOM 892 N GLU A 54 0.962 -3.860 -5.225 1.00 0.00 N ATOM 893 CA GLU A 54 -0.331 -4.094 -5.857 1.00 0.00 C ATOM 894 C GLU A 54 -0.782 -5.538 -5.655 1.00 0.00 C ATOM 895 O GLU A 54 -0.007 -6.475 -5.845 1.00 0.00 O ATOM 896 CB GLU A 54 -0.259 -3.775 -7.352 1.00 0.00 C ATOM 897 CG GLU A 54 -1.597 -3.885 -8.063 1.00 0.00 C ATOM 898 CD GLU A 54 -1.447 -4.119 -9.554 1.00 0.00 C ATOM 899 OE1 GLU A 54 -0.473 -3.604 -10.142 1.00 0.00 O ATOM 900 OE2 GLU A 54 -2.304 -4.819 -10.134 1.00 0.00 O ATOM 0 H GLU A 54 1.754 -4.268 -5.721 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.061 -3.434 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.129 -2.765 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.451 -4.453 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.170 -4.703 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.168 -2.972 -7.898 1.00 0.00 H new ATOM 907 N PHE A 55 -2.042 -5.709 -5.269 1.00 0.00 N ATOM 908 CA PHE A 55 -2.597 -7.038 -5.039 1.00 0.00 C ATOM 909 C PHE A 55 -3.588 -7.411 -6.138 1.00 0.00 C ATOM 910 O PHE A 55 -4.022 -6.559 -6.912 1.00 0.00 O ATOM 911 CB PHE A 55 -3.286 -7.098 -3.674 1.00 0.00 C ATOM 912 CG PHE A 55 -2.346 -7.392 -2.540 1.00 0.00 C ATOM 913 CD1 PHE A 55 -2.064 -8.699 -2.177 1.00 0.00 C ATOM 914 CD2 PHE A 55 -1.743 -6.361 -1.837 1.00 0.00 C ATOM 915 CE1 PHE A 55 -1.199 -8.973 -1.135 1.00 0.00 C ATOM 916 CE2 PHE A 55 -0.877 -6.629 -0.794 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.606 -7.938 -0.442 1.00 0.00 C ATOM 0 H PHE A 55 -2.698 -4.944 -5.109 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.776 -7.755 -5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.784 -6.147 -3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.061 -7.864 -3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.526 -9.514 -2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.952 -5.337 -2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.987 -9.997 -0.863 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.413 -5.817 -0.255 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.069 -8.150 0.374 1.00 0.00 H new ATOM 927 N TYR A 56 -3.940 -8.690 -6.200 1.00 0.00 N ATOM 928 CA TYR A 56 -4.877 -9.178 -7.205 1.00 0.00 C ATOM 929 C TYR A 56 -6.300 -8.733 -6.884 1.00 0.00 C ATOM 930 O TYR A 56 -7.070 -8.386 -7.779 1.00 0.00 O ATOM 931 CB TYR A 56 -4.815 -10.704 -7.292 1.00 0.00 C ATOM 932 CG TYR A 56 -3.651 -11.216 -8.110 1.00 0.00 C ATOM 933 CD1 TYR A 56 -2.386 -11.344 -7.550 1.00 0.00 C ATOM 934 CD2 TYR A 56 -3.816 -11.574 -9.442 1.00 0.00 C ATOM 935 CE1 TYR A 56 -1.319 -11.811 -8.293 1.00 0.00 C ATOM 936 CE2 TYR A 56 -2.756 -12.044 -10.193 1.00 0.00 C ATOM 937 CZ TYR A 56 -1.509 -12.160 -9.613 1.00 0.00 C ATOM 938 OH TYR A 56 -0.450 -12.628 -10.357 1.00 0.00 O ATOM 0 H TYR A 56 -3.590 -9.408 -5.566 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.592 -8.754 -8.168 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.749 -11.115 -6.285 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.744 -11.073 -7.727 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.234 -11.074 -6.515 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.790 -11.483 -9.899 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.342 -11.902 -7.842 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.902 -12.319 -11.227 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.753 -12.830 -11.267 1.00 0.00 H new ATOM 948 N GLU A 57 -6.642 -8.746 -5.599 1.00 0.00 N ATOM 949 CA GLU A 57 -7.973 -8.344 -5.159 1.00 0.00 C ATOM 950 C GLU A 57 -7.887 -7.297 -4.052 1.00 0.00 C ATOM 951 O GLU A 57 -6.825 -7.078 -3.470 1.00 0.00 O ATOM 952 CB GLU A 57 -8.761 -9.560 -4.666 1.00 0.00 C ATOM 953 CG GLU A 57 -8.689 -10.752 -5.606 1.00 0.00 C ATOM 954 CD GLU A 57 -9.926 -11.628 -5.531 1.00 0.00 C ATOM 955 OE1 GLU A 57 -10.587 -11.634 -4.473 1.00 0.00 O ATOM 956 OE2 GLU A 57 -10.232 -12.306 -6.534 1.00 0.00 O ATOM 0 H GLU A 57 -6.016 -9.030 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.492 -7.905 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.382 -9.856 -3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.805 -9.276 -4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.561 -10.397 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.810 -11.349 -5.364 1.00 0.00 H new ATOM 963 N HIS A 58 -9.014 -6.653 -3.766 1.00 0.00 N ATOM 964 CA HIS A 58 -9.068 -5.628 -2.729 1.00 0.00 C ATOM 965 C HIS A 58 -9.004 -6.258 -1.341 1.00 0.00 C ATOM 966 O HIS A 58 -8.455 -5.671 -0.408 1.00 0.00 O ATOM 967 CB HIS A 58 -10.343 -4.799 -2.868 1.00 0.00 C ATOM 968 CG HIS A 58 -10.637 -3.947 -1.671 1.00 0.00 C ATOM 969 ND1 HIS A 58 -10.307 -2.610 -1.600 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.234 -4.248 -0.495 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.687 -2.126 -0.432 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.254 -3.100 0.258 1.00 0.00 N ATOM 0 H HIS A 58 -9.902 -6.823 -4.238 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.205 -4.974 -2.852 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.257 -4.160 -3.747 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.185 -5.469 -3.043 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.842 -2.078 -2.335 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.623 -5.212 -0.203 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.557 -1.107 -0.097 1.00 0.00 H new ATOM 980 N ARG A 59 -9.568 -7.454 -1.212 1.00 0.00 N ATOM 981 CA ARG A 59 -9.578 -8.161 0.063 1.00 0.00 C ATOM 982 C ARG A 59 -8.156 -8.409 0.557 1.00 0.00 C ATOM 983 O ARG A 59 -7.881 -8.322 1.754 1.00 0.00 O ATOM 984 CB ARG A 59 -10.321 -9.491 -0.073 1.00 0.00 C ATOM 985 CG ARG A 59 -9.769 -10.388 -1.169 1.00 0.00 C ATOM 986 CD ARG A 59 -8.707 -11.335 -0.632 1.00 0.00 C ATOM 987 NE ARG A 59 -9.291 -12.548 -0.067 1.00 0.00 N ATOM 988 CZ ARG A 59 -8.591 -13.458 0.602 1.00 0.00 C ATOM 989 NH1 ARG A 59 -7.288 -13.291 0.789 1.00 0.00 N ATOM 990 NH2 ARG A 59 -9.193 -14.537 1.086 1.00 0.00 N ATOM 0 H ARG A 59 -10.024 -7.954 -1.975 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.095 -7.537 0.792 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.274 -10.022 0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.373 -9.291 -0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.581 -10.964 -1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.343 -9.774 -1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.021 -11.603 -1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.120 -10.825 0.132 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.291 -12.705 -0.193 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.822 -12.463 0.419 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.753 -13.991 1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.195 -14.669 0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.654 -15.235 1.599 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.258 -8.718 -0.372 1.00 0.00 N ATOM 1005 CA ASP A 60 -5.863 -8.978 -0.030 1.00 0.00 C ATOM 1006 C ASP A 60 -5.153 -7.689 0.369 1.00 0.00 C ATOM 1007 O ASP A 60 -4.452 -7.642 1.380 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.141 -9.629 -1.210 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.761 -10.953 -1.610 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.663 -11.916 -0.821 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -6.345 -11.027 -2.712 1.00 0.00 O ATOM 0 H ASP A 60 -7.470 -8.795 -1.367 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.843 -9.660 0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.160 -8.950 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.094 -9.785 -0.950 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.338 -6.644 -0.431 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.714 -5.354 -0.161 1.00 0.00 C ATOM 1018 C ALA A 61 -5.140 -4.813 1.199 1.00 0.00 C ATOM 1019 O ALA A 61 -4.331 -4.251 1.935 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.062 -4.360 -1.259 1.00 0.00 C ATOM 0 H ALA A 61 -5.915 -6.665 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.634 -5.497 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.590 -3.401 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.703 -4.736 -2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.143 -4.230 -1.303 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.417 -4.988 1.527 1.00 0.00 N ATOM 1027 CA ALA A 62 -6.949 -4.518 2.800 1.00 0.00 C ATOM 1028 C ALA A 62 -6.385 -5.327 3.963 1.00 0.00 C ATOM 1029 O ALA A 62 -6.065 -4.776 5.016 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.470 -4.588 2.794 1.00 0.00 C ATOM 0 H ALA A 62 -7.101 -5.451 0.929 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.644 -3.480 2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.854 -4.234 3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.860 -3.961 1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.786 -5.619 2.635 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.268 -6.635 3.766 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.740 -7.519 4.798 1.00 0.00 C ATOM 1038 C ALA A 63 -4.261 -7.250 5.049 1.00 0.00 C ATOM 1039 O ALA A 63 -3.830 -7.118 6.194 1.00 0.00 O ATOM 1040 CB ALA A 63 -5.955 -8.974 4.407 1.00 0.00 C ATOM 0 H ALA A 63 -6.532 -7.107 2.901 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.280 -7.319 5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.556 -9.623 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.021 -9.165 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.442 -9.178 3.467 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.487 -7.169 3.971 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.057 -6.913 4.075 1.00 0.00 C ATOM 1048 C ALA A 64 -1.785 -5.467 4.472 1.00 0.00 C ATOM 1049 O ALA A 64 -0.823 -5.178 5.186 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.365 -7.240 2.760 1.00 0.00 C ATOM 0 H ALA A 64 -3.828 -7.277 3.016 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.654 -7.558 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.297 -7.044 2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.521 -8.291 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.780 -6.619 1.966 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.636 -4.560 4.007 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.487 -3.142 4.313 1.00 0.00 C ATOM 1058 C LEU A 65 -2.552 -2.900 5.818 1.00 0.00 C ATOM 1059 O LEU A 65 -1.682 -2.243 6.390 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.575 -2.330 3.608 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.798 -0.910 4.129 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.747 0.035 3.567 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.196 -0.425 3.776 1.00 0.00 C ATOM 0 H LEU A 65 -3.437 -4.781 3.416 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.510 -2.819 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.327 -2.272 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.515 -2.876 3.686 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.703 -0.923 5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.921 1.041 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.756 -0.302 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.810 0.044 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.336 0.587 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.319 -0.427 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.935 -1.087 4.227 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.588 -3.438 6.455 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.763 -3.284 7.894 1.00 0.00 C ATOM 1077 C ALA A 66 -2.685 -4.040 8.662 1.00 0.00 C ATOM 1078 O ALA A 66 -2.145 -3.539 9.647 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.146 -3.764 8.310 1.00 0.00 C ATOM 0 H ALA A 66 -4.318 -3.984 5.997 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.669 -2.225 8.136 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.264 -3.644 9.387 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.905 -3.177 7.794 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.260 -4.816 8.048 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.377 -5.250 8.206 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.363 -6.075 8.850 1.00 0.00 C ATOM 1087 C ALA A 67 0.016 -5.433 8.740 1.00 0.00 C ATOM 1088 O ALA A 67 0.818 -5.501 9.671 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.350 -7.468 8.239 1.00 0.00 C ATOM 0 H ALA A 67 -2.816 -5.681 7.392 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.614 -6.157 9.908 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.588 -8.073 8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.326 -7.934 8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.127 -7.396 7.175 1.00 0.00 H new ATOM 1095 N MET A 68 0.286 -4.814 7.596 1.00 0.00 N ATOM 1096 CA MET A 68 1.569 -4.160 7.366 1.00 0.00 C ATOM 1097 C MET A 68 1.520 -2.699 7.800 1.00 0.00 C ATOM 1098 O MET A 68 2.557 -2.058 7.974 1.00 0.00 O ATOM 1099 CB MET A 68 1.955 -4.253 5.888 1.00 0.00 C ATOM 1100 CG MET A 68 2.071 -5.680 5.379 1.00 0.00 C ATOM 1101 SD MET A 68 3.322 -6.632 6.261 1.00 0.00 S ATOM 1102 CE MET A 68 4.789 -6.218 5.322 1.00 0.00 C ATOM 0 H MET A 68 -0.366 -4.751 6.814 1.00 0.00 H new ATOM 0 HA MET A 68 2.323 -4.673 7.964 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.211 -3.723 5.293 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.907 -3.743 5.737 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.106 -6.176 5.478 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.314 -5.664 4.317 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.672 -6.584 5.846 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.733 -6.681 4.337 1.00 0.00 H new ATOM 0 HE3 MET A 68 4.856 -5.136 5.211 1.00 0.00 H new ATOM 1112 N ASN A 69 0.310 -2.177 7.972 1.00 0.00 N ATOM 1113 CA ASN A 69 0.128 -0.791 8.386 1.00 0.00 C ATOM 1114 C ASN A 69 0.873 -0.508 9.686 1.00 0.00 C ATOM 1115 O ASN A 69 0.465 -0.953 10.758 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.360 -0.480 8.560 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.604 0.664 9.526 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -1.670 0.464 10.738 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.737 1.871 8.988 1.00 0.00 N ATOM 0 H ASN A 69 -0.559 -2.693 7.831 1.00 0.00 H new ATOM 0 HA ASN A 69 0.538 -0.149 7.606 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.792 -0.231 7.591 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.875 -1.371 8.919 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.901 2.681 9.586 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.675 1.988 7.977 1.00 0.00 H new ATOM 1126 N GLY A 70 1.969 0.238 9.584 1.00 0.00 N ATOM 1127 CA GLY A 70 2.755 0.568 10.758 1.00 0.00 C ATOM 1128 C GLY A 70 3.374 -0.655 11.405 1.00 0.00 C ATOM 1129 O GLY A 70 3.538 -0.705 12.624 1.00 0.00 O ATOM 0 H GLY A 70 2.327 0.620 8.708 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.544 1.266 10.478 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.121 1.078 11.484 1.00 0.00 H new ATOM 1133 N ARG A 71 3.716 -1.645 10.587 1.00 0.00 N ATOM 1134 CA ARG A 71 4.317 -2.876 11.087 1.00 0.00 C ATOM 1135 C ARG A 71 5.808 -2.686 11.347 1.00 0.00 C ATOM 1136 O ARG A 71 6.429 -1.762 10.819 1.00 0.00 O ATOM 1137 CB ARG A 71 4.103 -4.015 10.090 1.00 0.00 C ATOM 1138 CG ARG A 71 4.008 -5.385 10.741 1.00 0.00 C ATOM 1139 CD ARG A 71 4.252 -6.499 9.734 1.00 0.00 C ATOM 1140 NE ARG A 71 5.663 -6.863 9.651 1.00 0.00 N ATOM 1141 CZ ARG A 71 6.254 -7.712 10.486 1.00 0.00 C ATOM 1142 NH1 ARG A 71 5.557 -8.279 11.461 1.00 0.00 N ATOM 1143 NH2 ARG A 71 7.543 -7.992 10.346 1.00 0.00 N ATOM 0 H ARG A 71 3.587 -1.619 9.575 1.00 0.00 H new ATOM 0 HA ARG A 71 3.831 -3.131 12.029 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.190 -3.826 9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.925 -4.019 9.374 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.737 -5.457 11.548 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.022 -5.508 11.190 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.668 -7.375 10.014 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.901 -6.183 8.752 1.00 0.00 H new ATOM 0 HE ARG A 71 6.227 -6.443 8.912 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.566 -8.064 11.571 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.012 -8.930 12.101 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.081 -7.556 9.597 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.996 -8.643 10.987 1.00 0.00 H new ATOM 1157 N LYS A 72 6.378 -3.565 12.163 1.00 0.00 N ATOM 1158 CA LYS A 72 7.797 -3.497 12.493 1.00 0.00 C ATOM 1159 C LYS A 72 8.618 -4.376 11.555 1.00 0.00 C ATOM 1160 O LYS A 72 8.479 -5.599 11.557 1.00 0.00 O ATOM 1161 CB LYS A 72 8.027 -3.927 13.944 1.00 0.00 C ATOM 1162 CG LYS A 72 7.958 -2.780 14.937 1.00 0.00 C ATOM 1163 CD LYS A 72 9.324 -2.152 15.158 1.00 0.00 C ATOM 1164 CE LYS A 72 9.623 -1.086 14.115 1.00 0.00 C ATOM 1165 NZ LYS A 72 10.504 -0.014 14.654 1.00 0.00 N ATOM 0 H LYS A 72 5.879 -4.334 12.609 1.00 0.00 H new ATOM 0 HA LYS A 72 8.122 -2.464 12.371 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.283 -4.676 14.214 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.003 -4.406 14.022 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.263 -2.023 14.573 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.565 -3.143 15.887 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.366 -1.710 16.154 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.091 -2.925 15.120 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.100 -1.548 13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.688 -0.647 13.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.105 0.916 14.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.570 -0.106 15.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.453 -0.102 14.237 1.00 0.00 H new ATOM 1179 N ILE A 73 9.471 -3.746 10.756 1.00 0.00 N ATOM 1180 CA ILE A 73 10.315 -4.472 9.814 1.00 0.00 C ATOM 1181 C ILE A 73 11.760 -3.993 9.889 1.00 0.00 C ATOM 1182 O ILE A 73 12.042 -2.806 9.720 1.00 0.00 O ATOM 1183 CB ILE A 73 9.808 -4.317 8.368 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.372 -4.829 8.251 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.722 -5.059 7.404 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.687 -4.419 6.966 1.00 0.00 C ATOM 0 H ILE A 73 9.597 -2.734 10.741 1.00 0.00 H new ATOM 0 HA ILE A 73 10.269 -5.524 10.095 1.00 0.00 H new ATOM 0 HB ILE A 73 9.819 -3.259 8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.376 -5.917 8.320 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.793 -4.458 9.096 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.351 -4.940 6.386 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.731 -4.651 7.472 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.740 -6.118 7.662 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.672 -4.817 6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.651 -3.331 6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.243 -4.813 6.115 1.00 0.00 H new ATOM 1198 N LEU A 74 12.675 -4.923 10.142 1.00 0.00 N ATOM 1199 CA LEU A 74 14.093 -4.596 10.237 1.00 0.00 C ATOM 1200 C LEU A 74 14.344 -3.578 11.345 1.00 0.00 C ATOM 1201 O LEU A 74 15.261 -2.762 11.256 1.00 0.00 O ATOM 1202 CB LEU A 74 14.601 -4.050 8.902 1.00 0.00 C ATOM 1203 CG LEU A 74 14.631 -5.042 7.738 1.00 0.00 C ATOM 1204 CD1 LEU A 74 15.123 -4.362 6.470 1.00 0.00 C ATOM 1205 CD2 LEU A 74 15.508 -6.238 8.079 1.00 0.00 C ATOM 0 H LEU A 74 12.460 -5.910 10.285 1.00 0.00 H new ATOM 0 HA LEU A 74 14.636 -5.510 10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 74 13.975 -3.205 8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.610 -3.664 9.050 1.00 0.00 H new ATOM 0 HG LEU A 74 13.616 -5.399 7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.138 -5.083 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.455 -3.539 6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.129 -3.976 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.518 -6.933 7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.524 -5.898 8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.111 -6.740 8.961 1.00 0.00 H new ATOM 1217 N GLY A 75 13.524 -3.635 12.390 1.00 0.00 N ATOM 1218 CA GLY A 75 13.677 -2.714 13.502 1.00 0.00 C ATOM 1219 C GLY A 75 13.123 -1.337 13.193 1.00 0.00 C ATOM 1220 O GLY A 75 13.235 -0.418 14.004 1.00 0.00 O ATOM 0 H GLY A 75 12.758 -4.301 12.487 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.169 -3.119 14.378 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.733 -2.629 13.757 1.00 0.00 H new ATOM 1224 N LYS A 76 12.525 -1.191 12.015 1.00 0.00 N ATOM 1225 CA LYS A 76 11.953 0.083 11.600 1.00 0.00 C ATOM 1226 C LYS A 76 10.476 -0.071 11.249 1.00 0.00 C ATOM 1227 O LYS A 76 10.110 -0.908 10.423 1.00 0.00 O ATOM 1228 CB LYS A 76 12.718 0.643 10.398 1.00 0.00 C ATOM 1229 CG LYS A 76 12.665 2.157 10.293 1.00 0.00 C ATOM 1230 CD LYS A 76 13.550 2.669 9.170 1.00 0.00 C ATOM 1231 CE LYS A 76 13.502 4.186 9.071 1.00 0.00 C ATOM 1232 NZ LYS A 76 14.194 4.685 7.851 1.00 0.00 N ATOM 0 H LYS A 76 12.424 -1.941 11.331 1.00 0.00 H new ATOM 0 HA LYS A 76 12.039 0.779 12.434 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.760 0.328 10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.310 0.210 9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.637 2.475 10.121 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.982 2.599 11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.577 2.347 9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.230 2.231 8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.463 4.516 9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.966 4.622 9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.139 5.723 7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.192 4.392 7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.736 4.289 7.006 1.00 0.00 H new ATOM 1246 N GLU A 77 9.634 0.740 11.880 1.00 0.00 N ATOM 1247 CA GLU A 77 8.198 0.691 11.632 1.00 0.00 C ATOM 1248 C GLU A 77 7.859 1.292 10.271 1.00 0.00 C ATOM 1249 O GLU A 77 8.138 2.462 10.009 1.00 0.00 O ATOM 1250 CB GLU A 77 7.443 1.439 12.734 1.00 0.00 C ATOM 1251 CG GLU A 77 6.054 0.884 13.004 1.00 0.00 C ATOM 1252 CD GLU A 77 5.173 1.859 13.760 1.00 0.00 C ATOM 1253 OE1 GLU A 77 4.766 2.876 13.161 1.00 0.00 O ATOM 1254 OE2 GLU A 77 4.891 1.606 14.950 1.00 0.00 O ATOM 0 H GLU A 77 9.921 1.438 12.566 1.00 0.00 H new ATOM 0 HA GLU A 77 7.890 -0.355 11.634 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.026 1.399 13.654 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.358 2.489 12.456 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.578 0.629 12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.141 -0.040 13.576 1.00 0.00 H new ATOM 1261 N VAL A 78 7.258 0.481 9.406 1.00 0.00 N ATOM 1262 CA VAL A 78 6.882 0.931 8.071 1.00 0.00 C ATOM 1263 C VAL A 78 5.409 1.321 8.018 1.00 0.00 C ATOM 1264 O VAL A 78 4.558 0.660 8.613 1.00 0.00 O ATOM 1265 CB VAL A 78 7.151 -0.158 7.015 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.465 -0.868 7.303 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.999 -1.151 6.968 1.00 0.00 C ATOM 0 H VAL A 78 7.021 -0.491 9.606 1.00 0.00 H new ATOM 0 HA VAL A 78 7.495 1.804 7.847 1.00 0.00 H new ATOM 0 HB VAL A 78 7.229 0.319 6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.638 -1.634 6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.281 -0.146 7.282 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.419 -1.334 8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.206 -1.913 6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.887 -1.624 7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.078 -0.628 6.710 1.00 0.00 H new ATOM 1277 N LYS A 79 5.114 2.400 7.301 1.00 0.00 N ATOM 1278 CA LYS A 79 3.744 2.880 7.168 1.00 0.00 C ATOM 1279 C LYS A 79 3.126 2.404 5.857 1.00 0.00 C ATOM 1280 O LYS A 79 3.757 2.471 4.801 1.00 0.00 O ATOM 1281 CB LYS A 79 3.708 4.408 7.236 1.00 0.00 C ATOM 1282 CG LYS A 79 4.544 5.084 6.163 1.00 0.00 C ATOM 1283 CD LYS A 79 4.154 6.543 5.989 1.00 0.00 C ATOM 1284 CE LYS A 79 2.799 6.682 5.314 1.00 0.00 C ATOM 1285 NZ LYS A 79 1.686 6.710 6.304 1.00 0.00 N ATOM 0 H LYS A 79 5.806 2.959 6.803 1.00 0.00 H new ATOM 0 HA LYS A 79 3.161 2.472 7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.675 4.743 7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.062 4.728 8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.599 5.018 6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.418 4.557 5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.128 7.032 6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.911 7.055 5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.781 7.596 4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.650 5.852 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.126 5.837 6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.078 6.781 7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.076 7.531 6.117 1.00 0.00 H new ATOM 1299 N VAL A 80 1.888 1.925 5.930 1.00 0.00 N ATOM 1300 CA VAL A 80 1.185 1.441 4.748 1.00 0.00 C ATOM 1301 C VAL A 80 -0.219 2.029 4.666 1.00 0.00 C ATOM 1302 O VAL A 80 -0.980 1.984 5.632 1.00 0.00 O ATOM 1303 CB VAL A 80 1.087 -0.096 4.745 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.533 -0.593 3.417 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.446 -0.717 5.029 1.00 0.00 C ATOM 0 H VAL A 80 1.351 1.862 6.795 1.00 0.00 H new ATOM 0 HA VAL A 80 1.762 1.763 3.881 1.00 0.00 H new ATOM 0 HB VAL A 80 0.401 -0.400 5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.471 -1.681 3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.461 -0.175 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.192 -0.279 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.358 -1.803 5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.155 -0.406 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.800 -0.387 6.006 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.557 2.580 3.505 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.871 3.177 3.296 1.00 0.00 C ATOM 1317 C ASN A 81 -2.353 2.943 1.867 1.00 0.00 C ATOM 1318 O ASN A 81 -1.584 2.528 1.002 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.825 4.678 3.591 1.00 0.00 C ATOM 1320 CG ASN A 81 -3.196 5.248 3.900 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -3.634 6.212 3.272 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -3.878 4.655 4.872 1.00 0.00 N ATOM 0 H ASN A 81 0.061 2.626 2.695 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.573 2.700 3.981 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.160 4.859 4.435 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.402 5.201 2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.805 4.996 5.126 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.475 3.859 5.365 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.632 3.214 1.629 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.217 3.034 0.305 1.00 0.00 C ATOM 1331 C TRP A 82 -3.646 4.044 -0.685 1.00 0.00 C ATOM 1332 O TRP A 82 -3.742 5.253 -0.477 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.739 3.174 0.374 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.408 2.035 1.082 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -6.898 2.039 2.357 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.659 0.728 0.557 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.438 0.811 2.656 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.305 -0.011 1.568 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.402 0.109 -0.669 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.695 -1.335 1.388 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.789 -1.206 -0.846 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.431 -1.916 0.177 1.00 0.00 C ATOM 0 H TRP A 82 -4.283 3.559 2.335 1.00 0.00 H new ATOM 0 HA TRP A 82 -3.966 2.032 -0.042 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.988 4.105 0.882 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.136 3.247 -0.638 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -6.866 2.883 3.031 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.868 0.553 3.544 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.910 0.649 -1.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.188 -1.885 2.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.593 -1.695 -1.789 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.723 -2.942 0.007 1.00 0.00 H new ATOM 1353 N ALA A 83 -3.051 3.539 -1.761 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.467 4.398 -2.784 1.00 0.00 C ATOM 1355 C ALA A 83 -3.531 4.893 -3.758 1.00 0.00 C ATOM 1356 O ALA A 83 -3.585 4.457 -4.910 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.368 3.657 -3.531 1.00 0.00 C ATOM 0 H ALA A 83 -2.961 2.540 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.033 5.267 -2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.941 4.310 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.589 3.359 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.786 2.770 -4.007 1.00 0.00 H new