USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 722 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 87 THR OG1 : rot -111:sc= 0.13 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.51 K(o=-1.4,f=-3) USER MOD Set 2.1: A 74 TYR OH : rot -99:sc= -0.347 USER MOD Set 2.2: A 92 TYR OH : rot 180:sc= 1 USER MOD Set 3.1: A 17 HIS : no HD1:sc= 0 X(o=-0.13,f=-0.13) USER MOD Set 3.2: A 20 LYS NZ :NH3+ -153:sc= -0.127 (180deg=-0.722) USER MOD Single : A 10 ASN : amide:sc= -3.98! K(o=-4!,f=-0.58) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 21 THR OG1 : rot 180:sc= -2.22! USER MOD Single : A 22 THR OG1 : rot 46:sc= 0.324 USER MOD Single : A 25 HIS : no HE2:sc= -2.21 K(o=-2.2,f=-6.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.7! C(o=-2.7!,f=-2.9!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -172:sc= -0.552 (180deg=-0.727) USER MOD Single : A 37 THR OG1 : rot 120:sc= -0.857 USER MOD Single : A 48 SER OG : rot 150:sc= 0.115 USER MOD Single : A 56 CYS SG : rot 42:sc= -2.08! USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0361 (180deg=-0.256) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.144 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.0206 (180deg=-0.214) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -8.15! C(o=-8.1!,f=-14!) USER MOD Single : A 93 THR OG1 : rot -90:sc= -3.93! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.61! C(o=-1.6!,f=-6.4!) USER MOD Single : A 106 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 107 THR OG1 : rot -160:sc= -0.377 USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 -0.833 -8.675 12.128 1.00 0.00 N ATOM 180 CA ASN A 10 -0.656 -7.805 10.980 1.00 0.00 C ATOM 181 C ASN A 10 0.782 -7.326 10.846 1.00 0.00 C ATOM 182 O ASN A 10 1.587 -7.928 10.133 1.00 0.00 O ATOM 183 CB ASN A 10 -1.583 -6.606 11.110 1.00 0.00 C ATOM 184 CG ASN A 10 -2.083 -6.407 12.527 1.00 0.00 C ATOM 185 OD1 ASN A 10 -3.094 -6.982 12.926 1.00 0.00 O ATOM 186 ND2 ASN A 10 -1.376 -5.585 13.294 1.00 0.00 N ATOM 0 HA ASN A 10 -0.899 -8.377 10.084 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.058 -5.708 10.785 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.435 -6.736 10.443 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.666 -5.410 14.256 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.543 -5.129 12.921 1.00 0.00 H new ATOM 193 N ASP A 11 1.082 -6.232 11.534 1.00 0.00 N ATOM 194 CA ASP A 11 2.404 -5.627 11.518 1.00 0.00 C ATOM 195 C ASP A 11 3.504 -6.675 11.464 1.00 0.00 C ATOM 196 O ASP A 11 3.807 -7.332 12.458 1.00 0.00 O ATOM 197 CB ASP A 11 2.584 -4.736 12.747 1.00 0.00 C ATOM 198 CG ASP A 11 1.910 -5.307 13.980 1.00 0.00 C ATOM 199 OD1 ASP A 11 2.355 -6.370 14.462 1.00 0.00 O ATOM 200 OD2 ASP A 11 0.935 -4.694 14.461 1.00 0.00 O ATOM 0 H ASP A 11 0.410 -5.738 12.121 1.00 0.00 H new ATOM 0 HA ASP A 11 2.483 -5.022 10.615 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.648 -4.606 12.945 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.176 -3.747 12.538 1.00 0.00 H new ATOM 205 N LYS A 12 4.083 -6.832 10.283 1.00 0.00 N ATOM 206 CA LYS A 12 5.161 -7.785 10.074 1.00 0.00 C ATOM 207 C LYS A 12 6.515 -7.122 10.316 1.00 0.00 C ATOM 208 O LYS A 12 7.032 -6.404 9.460 1.00 0.00 O ATOM 209 CB LYS A 12 5.088 -8.360 8.658 1.00 0.00 C ATOM 210 CG LYS A 12 6.361 -9.056 8.219 1.00 0.00 C ATOM 211 CD LYS A 12 6.191 -9.747 6.877 1.00 0.00 C ATOM 212 CE LYS A 12 7.505 -10.328 6.384 1.00 0.00 C ATOM 213 NZ LYS A 12 7.352 -11.014 5.070 1.00 0.00 N ATOM 0 H LYS A 12 3.821 -6.307 9.449 1.00 0.00 H new ATOM 0 HA LYS A 12 5.049 -8.602 10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.260 -9.067 8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.865 -7.554 7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.169 -8.328 8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.653 -9.789 8.971 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.450 -10.542 6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.808 -9.035 6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.243 -9.531 6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.888 -11.035 7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.271 -11.396 4.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.667 -11.791 5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.011 -10.334 4.361 1.00 0.00 H new ATOM 227 N TRP A 13 7.075 -7.367 11.493 1.00 0.00 N ATOM 228 CA TRP A 13 8.358 -6.801 11.878 1.00 0.00 C ATOM 229 C TRP A 13 9.504 -7.633 11.316 1.00 0.00 C ATOM 230 O TRP A 13 9.785 -8.725 11.811 1.00 0.00 O ATOM 231 CB TRP A 13 8.435 -6.727 13.406 1.00 0.00 C ATOM 232 CG TRP A 13 7.106 -6.414 14.037 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.089 -7.293 14.278 1.00 0.00 C ATOM 234 CD2 TRP A 13 6.644 -5.135 14.496 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.018 -6.639 14.837 1.00 0.00 N ATOM 236 CE2 TRP A 13 5.333 -5.315 14.986 1.00 0.00 C ATOM 237 CE3 TRP A 13 7.206 -3.857 14.539 1.00 0.00 C ATOM 238 CZ2 TRP A 13 4.578 -4.263 15.505 1.00 0.00 C ATOM 239 CZ3 TRP A 13 6.458 -2.817 15.059 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.157 -3.025 15.532 1.00 0.00 C ATOM 0 H TRP A 13 6.653 -7.962 12.205 1.00 0.00 H new ATOM 0 HA TRP A 13 8.448 -5.796 11.466 1.00 0.00 H new ATOM 0 HB2 TRP A 13 8.803 -7.677 13.794 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.158 -5.964 13.693 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.122 -8.350 14.060 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.131 -7.070 15.099 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.207 -3.684 14.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.574 -4.421 15.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.885 -1.826 15.101 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.599 -2.189 15.927 1.00 0.00 H new ATOM 251 N VAL A 14 10.167 -7.119 10.276 1.00 0.00 N ATOM 252 CA VAL A 14 11.269 -7.854 9.658 1.00 0.00 C ATOM 253 C VAL A 14 12.267 -6.921 8.990 1.00 0.00 C ATOM 254 O VAL A 14 12.079 -5.710 8.957 1.00 0.00 O ATOM 255 CB VAL A 14 10.740 -8.867 8.618 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.340 -8.163 7.329 1.00 0.00 C ATOM 257 CG2 VAL A 14 11.753 -9.970 8.347 1.00 0.00 C ATOM 0 H VAL A 14 9.964 -6.214 9.852 1.00 0.00 H new ATOM 0 HA VAL A 14 11.780 -8.389 10.459 1.00 0.00 H new ATOM 0 HB VAL A 14 9.850 -9.337 9.038 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.971 -8.897 6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.556 -7.436 7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.206 -7.651 6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.347 -10.664 7.611 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.674 -9.532 7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.964 -10.505 9.273 1.00 0.00 H new ATOM 267 N ASP A 15 13.331 -7.516 8.474 1.00 0.00 N ATOM 268 CA ASP A 15 14.388 -6.784 7.790 1.00 0.00 C ATOM 269 C ASP A 15 14.142 -6.768 6.283 1.00 0.00 C ATOM 270 O ASP A 15 13.124 -7.279 5.815 1.00 0.00 O ATOM 271 CB ASP A 15 15.735 -7.435 8.098 1.00 0.00 C ATOM 272 CG ASP A 15 16.380 -6.875 9.351 1.00 0.00 C ATOM 273 OD1 ASP A 15 15.981 -7.287 10.459 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.284 -6.024 9.222 1.00 0.00 O ATOM 0 H ASP A 15 13.487 -8.523 8.517 1.00 0.00 H new ATOM 0 HA ASP A 15 14.394 -5.753 8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.597 -8.510 8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.407 -7.290 7.252 1.00 0.00 H new ATOM 279 N THR A 16 15.071 -6.188 5.525 1.00 0.00 N ATOM 280 CA THR A 16 14.923 -6.122 4.072 1.00 0.00 C ATOM 281 C THR A 16 16.164 -5.547 3.394 1.00 0.00 C ATOM 282 O THR A 16 17.176 -5.276 4.041 1.00 0.00 O ATOM 283 CB THR A 16 13.704 -5.266 3.679 1.00 0.00 C ATOM 284 OG1 THR A 16 13.275 -5.600 2.354 1.00 0.00 O ATOM 285 CG2 THR A 16 14.030 -3.781 3.747 1.00 0.00 C ATOM 0 H THR A 16 15.924 -5.762 5.887 1.00 0.00 H new ATOM 0 HA THR A 16 14.781 -7.148 3.731 1.00 0.00 H new ATOM 0 HB THR A 16 12.904 -5.478 4.388 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.499 -5.052 2.114 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.151 -3.202 3.464 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.325 -3.519 4.763 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.848 -3.556 3.062 1.00 0.00 H new ATOM 293 N HIS A 17 16.066 -5.367 2.079 1.00 0.00 N ATOM 294 CA HIS A 17 17.155 -4.814 1.284 1.00 0.00 C ATOM 295 C HIS A 17 16.727 -3.486 0.664 1.00 0.00 C ATOM 296 O HIS A 17 15.746 -2.889 1.094 1.00 0.00 O ATOM 297 CB HIS A 17 17.566 -5.805 0.193 1.00 0.00 C ATOM 298 CG HIS A 17 18.566 -6.819 0.651 1.00 0.00 C ATOM 299 ND1 HIS A 17 19.907 -6.753 0.330 1.00 0.00 N ATOM 300 CD2 HIS A 17 18.419 -7.930 1.411 1.00 0.00 C ATOM 301 CE1 HIS A 17 20.538 -7.779 0.871 1.00 0.00 C ATOM 302 NE2 HIS A 17 19.659 -8.508 1.532 1.00 0.00 N ATOM 0 H HIS A 17 15.233 -5.600 1.538 1.00 0.00 H new ATOM 0 HA HIS A 17 18.013 -4.636 1.932 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.678 -6.322 -0.170 1.00 0.00 H new ATOM 0 HB3 HIS A 17 17.981 -5.253 -0.650 1.00 0.00 H new ATOM 0 HD2 HIS A 17 17.498 -8.294 1.842 1.00 0.00 H new ATOM 0 HE1 HIS A 17 21.595 -7.986 0.787 1.00 0.00 H new ATOM 0 HE2 HIS A 17 19.867 -9.362 2.049 1.00 0.00 H new ATOM 311 N VAL A 18 17.458 -3.026 -0.347 1.00 0.00 N ATOM 312 CA VAL A 18 17.132 -1.761 -0.998 1.00 0.00 C ATOM 313 C VAL A 18 16.312 -1.972 -2.268 1.00 0.00 C ATOM 314 O VAL A 18 16.698 -2.732 -3.157 1.00 0.00 O ATOM 315 CB VAL A 18 18.403 -0.959 -1.343 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.041 0.368 -1.994 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.248 -0.735 -0.097 1.00 0.00 C ATOM 0 H VAL A 18 18.273 -3.505 -0.731 1.00 0.00 H new ATOM 0 HA VAL A 18 16.535 -1.194 -0.284 1.00 0.00 H new ATOM 0 HB VAL A 18 18.991 -1.538 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.952 0.918 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.482 0.183 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.430 0.955 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.141 -0.167 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 18 18.669 -0.179 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.541 -1.698 0.322 1.00 0.00 H new ATOM 327 N GLY A 19 15.174 -1.286 -2.336 1.00 0.00 N ATOM 328 CA GLY A 19 14.294 -1.383 -3.488 1.00 0.00 C ATOM 329 C GLY A 19 13.744 -2.777 -3.699 1.00 0.00 C ATOM 330 O GLY A 19 13.155 -3.057 -4.743 1.00 0.00 O ATOM 0 H GLY A 19 14.843 -0.657 -1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.465 -0.687 -3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.838 -1.075 -4.381 1.00 0.00 H new ATOM 334 N LYS A 20 13.941 -3.657 -2.723 1.00 0.00 N ATOM 335 CA LYS A 20 13.430 -5.015 -2.825 1.00 0.00 C ATOM 336 C LYS A 20 11.909 -4.981 -2.886 1.00 0.00 C ATOM 337 O LYS A 20 11.232 -5.096 -1.864 1.00 0.00 O ATOM 338 CB LYS A 20 13.900 -5.858 -1.638 1.00 0.00 C ATOM 339 CG LYS A 20 14.374 -7.242 -2.030 1.00 0.00 C ATOM 340 CD LYS A 20 15.801 -7.187 -2.527 1.00 0.00 C ATOM 341 CE LYS A 20 16.437 -8.567 -2.566 1.00 0.00 C ATOM 342 NZ LYS A 20 16.459 -9.206 -1.221 1.00 0.00 N ATOM 0 H LYS A 20 14.446 -3.455 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 20 13.815 -5.473 -3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.710 -5.335 -1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.083 -5.951 -0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.306 -7.913 -1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.727 -7.649 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.822 -6.748 -3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.387 -6.535 -1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.886 -9.201 -3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.455 -8.487 -2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.251 -9.878 -1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.576 -8.475 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.565 -9.713 -1.063 1.00 0.00 H new ATOM 356 N THR A 21 11.387 -4.805 -4.094 1.00 0.00 N ATOM 357 CA THR A 21 9.950 -4.724 -4.315 1.00 0.00 C ATOM 358 C THR A 21 9.200 -5.826 -3.582 1.00 0.00 C ATOM 359 O THR A 21 9.116 -6.958 -4.058 1.00 0.00 O ATOM 360 CB THR A 21 9.607 -4.801 -5.812 1.00 0.00 C ATOM 361 OG1 THR A 21 10.513 -3.990 -6.566 1.00 0.00 O ATOM 362 CG2 THR A 21 8.180 -4.337 -6.061 1.00 0.00 C ATOM 0 H THR A 21 11.945 -4.715 -4.943 1.00 0.00 H new ATOM 0 HA THR A 21 9.635 -3.758 -3.920 1.00 0.00 H new ATOM 0 HB THR A 21 9.699 -5.839 -6.131 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.288 -4.047 -7.518 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.958 -4.399 -7.126 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.489 -4.973 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.069 -3.305 -5.727 1.00 0.00 H new ATOM 370 N THR A 22 8.659 -5.486 -2.419 1.00 0.00 N ATOM 371 CA THR A 22 7.900 -6.441 -1.628 1.00 0.00 C ATOM 372 C THR A 22 6.429 -6.373 -2.001 1.00 0.00 C ATOM 373 O THR A 22 5.684 -5.534 -1.496 1.00 0.00 O ATOM 374 CB THR A 22 8.066 -6.189 -0.116 1.00 0.00 C ATOM 375 OG1 THR A 22 9.442 -6.333 0.255 1.00 0.00 O ATOM 376 CG2 THR A 22 7.215 -7.154 0.699 1.00 0.00 C ATOM 0 H THR A 22 8.733 -4.557 -2.005 1.00 0.00 H new ATOM 0 HA THR A 22 8.289 -7.435 -1.848 1.00 0.00 H new ATOM 0 HB THR A 22 7.733 -5.173 0.095 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.006 -5.850 -0.385 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.353 -6.952 1.761 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.165 -7.023 0.438 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.518 -8.178 0.482 1.00 0.00 H new ATOM 384 N GLU A 23 6.034 -7.254 -2.913 1.00 0.00 N ATOM 385 CA GLU A 23 4.669 -7.322 -3.385 1.00 0.00 C ATOM 386 C GLU A 23 3.804 -8.150 -2.452 1.00 0.00 C ATOM 387 O GLU A 23 4.147 -9.283 -2.110 1.00 0.00 O ATOM 388 CB GLU A 23 4.650 -7.932 -4.779 1.00 0.00 C ATOM 389 CG GLU A 23 3.281 -7.898 -5.425 1.00 0.00 C ATOM 390 CD GLU A 23 3.325 -8.238 -6.902 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.528 -9.426 -7.232 1.00 0.00 O ATOM 392 OE2 GLU A 23 3.161 -7.316 -7.729 1.00 0.00 O ATOM 0 H GLU A 23 6.657 -7.939 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 23 4.262 -6.311 -3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.357 -7.397 -5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.992 -8.965 -4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.624 -8.602 -4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.847 -6.906 -5.297 1.00 0.00 H new ATOM 399 N ILE A 24 2.682 -7.579 -2.041 1.00 0.00 N ATOM 400 CA ILE A 24 1.767 -8.266 -1.151 1.00 0.00 C ATOM 401 C ILE A 24 0.328 -8.153 -1.616 1.00 0.00 C ATOM 402 O ILE A 24 -0.301 -7.108 -1.463 1.00 0.00 O ATOM 403 CB ILE A 24 1.858 -7.714 0.277 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.285 -7.845 0.801 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.874 -8.437 1.189 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.463 -7.352 2.220 1.00 0.00 C ATOM 0 H ILE A 24 2.386 -6.641 -2.311 1.00 0.00 H new ATOM 0 HA ILE A 24 2.065 -9.314 -1.163 1.00 0.00 H new ATOM 0 HB ILE A 24 1.593 -6.657 0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.586 -8.891 0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.955 -7.288 0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.950 -8.034 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.140 -8.293 0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.107 -9.502 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.503 -7.478 2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.194 -6.297 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.820 -7.925 2.888 1.00 0.00 H new ATOM 418 N HIS A 25 -0.175 -9.231 -2.196 1.00 0.00 N ATOM 419 CA HIS A 25 -1.554 -9.284 -2.641 1.00 0.00 C ATOM 420 C HIS A 25 -2.413 -9.760 -1.483 1.00 0.00 C ATOM 421 O HIS A 25 -2.228 -10.866 -0.974 1.00 0.00 O ATOM 422 CB HIS A 25 -1.720 -10.234 -3.823 1.00 0.00 C ATOM 423 CG HIS A 25 -0.534 -10.292 -4.732 1.00 0.00 C ATOM 424 ND1 HIS A 25 0.351 -11.348 -4.750 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.096 -9.420 -5.669 1.00 0.00 C ATOM 426 CE1 HIS A 25 1.282 -11.125 -5.659 1.00 0.00 C ATOM 427 NE2 HIS A 25 1.034 -9.962 -6.232 1.00 0.00 N ATOM 0 H HIS A 25 0.356 -10.084 -2.369 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.860 -8.290 -2.967 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.923 -11.236 -3.444 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.592 -9.929 -4.401 1.00 0.00 H new ATOM 0 HD1 HIS A 25 0.295 -12.174 -4.154 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.550 -8.474 -5.926 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.106 -11.782 -5.894 1.00 0.00 H new ATOM 436 N LEU A 26 -3.345 -8.927 -1.069 1.00 0.00 N ATOM 437 CA LEU A 26 -4.209 -9.258 0.052 1.00 0.00 C ATOM 438 C LEU A 26 -5.662 -9.305 -0.390 1.00 0.00 C ATOM 439 O LEU A 26 -6.051 -8.634 -1.341 1.00 0.00 O ATOM 440 CB LEU A 26 -4.039 -8.225 1.172 1.00 0.00 C ATOM 441 CG LEU A 26 -2.587 -7.895 1.545 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.350 -6.394 1.478 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.245 -8.420 2.932 1.00 0.00 C ATOM 0 H LEU A 26 -3.526 -8.016 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.925 -10.242 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.538 -7.303 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.551 -8.591 2.062 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.934 -8.388 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.316 -6.177 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.545 -6.040 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.019 -5.889 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.211 -8.172 3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.906 -7.962 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.373 -9.502 2.953 1.00 0.00 H new ATOM 455 N LYS A 27 -6.454 -10.112 0.294 1.00 0.00 N ATOM 456 CA LYS A 27 -7.868 -10.229 -0.015 1.00 0.00 C ATOM 457 C LYS A 27 -8.685 -9.963 1.238 1.00 0.00 C ATOM 458 O LYS A 27 -8.178 -10.099 2.352 1.00 0.00 O ATOM 459 CB LYS A 27 -8.185 -11.619 -0.558 1.00 0.00 C ATOM 460 CG LYS A 27 -7.094 -12.182 -1.455 1.00 0.00 C ATOM 461 CD LYS A 27 -7.563 -13.426 -2.192 1.00 0.00 C ATOM 462 CE LYS A 27 -6.474 -13.981 -3.095 1.00 0.00 C ATOM 463 NZ LYS A 27 -6.923 -15.200 -3.823 1.00 0.00 N ATOM 0 H LYS A 27 -6.141 -10.697 1.069 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.124 -9.495 -0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.344 -12.300 0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.119 -11.578 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.788 -11.424 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.217 -12.423 -0.855 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.862 -14.187 -1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.444 -13.187 -2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.175 -13.218 -3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.594 -14.219 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.151 -15.547 -4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.184 -15.937 -3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.748 -14.968 -4.413 1.00 0.00 H new ATOM 477 N GLY A 28 -9.943 -9.587 1.066 1.00 0.00 N ATOM 478 CA GLY A 28 -10.768 -9.316 2.222 1.00 0.00 C ATOM 479 C GLY A 28 -12.034 -8.538 1.914 1.00 0.00 C ATOM 480 O GLY A 28 -13.101 -8.872 2.424 1.00 0.00 O ATOM 0 H GLY A 28 -10.401 -9.466 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.041 -10.262 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.180 -8.758 2.951 1.00 0.00 H new ATOM 484 N ASN A 29 -11.910 -7.512 1.075 1.00 0.00 N ATOM 485 CA ASN A 29 -13.036 -6.643 0.727 1.00 0.00 C ATOM 486 C ASN A 29 -13.759 -6.190 1.996 1.00 0.00 C ATOM 487 O ASN A 29 -14.497 -6.957 2.615 1.00 0.00 O ATOM 488 CB ASN A 29 -14.012 -7.318 -0.253 1.00 0.00 C ATOM 489 CG ASN A 29 -15.056 -8.183 0.423 1.00 0.00 C ATOM 490 OD1 ASN A 29 -14.854 -9.379 0.632 1.00 0.00 O ATOM 491 ND2 ASN A 29 -16.190 -7.575 0.761 1.00 0.00 N ATOM 0 H ASN A 29 -11.033 -7.259 0.619 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.634 -5.769 0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.515 -6.548 -0.838 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.444 -7.931 -0.953 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.937 -8.103 1.213 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.313 -6.581 0.568 1.00 0.00 H new ATOM 547 N TYR A 34 -14.308 0.881 3.265 1.00 0.00 N ATOM 548 CA TYR A 34 -12.958 1.085 3.785 1.00 0.00 C ATOM 549 C TYR A 34 -11.930 0.918 2.674 1.00 0.00 C ATOM 550 O TYR A 34 -12.278 0.891 1.493 1.00 0.00 O ATOM 551 CB TYR A 34 -12.649 0.103 4.918 1.00 0.00 C ATOM 552 CG TYR A 34 -13.553 0.239 6.120 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.840 -0.288 6.108 1.00 0.00 C ATOM 554 CD2 TYR A 34 -13.118 0.893 7.271 1.00 0.00 C ATOM 555 CE1 TYR A 34 -15.667 -0.168 7.208 1.00 0.00 C ATOM 556 CE2 TYR A 34 -13.944 1.015 8.373 1.00 0.00 C ATOM 557 CZ TYR A 34 -15.215 0.484 8.336 1.00 0.00 C ATOM 558 OH TYR A 34 -16.039 0.605 9.433 1.00 0.00 O ATOM 0 HA TYR A 34 -12.904 2.100 4.179 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.726 -0.914 4.533 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.616 0.246 5.236 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -15.198 -0.798 5.226 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.122 1.310 7.303 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.664 -0.583 7.185 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.595 1.524 9.259 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.569 1.090 10.143 1.00 0.00 H new ATOM 568 N MET A 35 -10.664 0.808 3.058 1.00 0.00 N ATOM 569 CA MET A 35 -9.594 0.654 2.110 1.00 0.00 C ATOM 570 C MET A 35 -8.346 0.102 2.780 1.00 0.00 C ATOM 571 O MET A 35 -8.101 0.342 3.960 1.00 0.00 O ATOM 572 CB MET A 35 -9.266 2.003 1.485 1.00 0.00 C ATOM 573 CG MET A 35 -7.848 2.077 0.972 1.00 0.00 C ATOM 574 SD MET A 35 -7.449 3.668 0.223 1.00 0.00 S ATOM 575 CE MET A 35 -8.606 3.700 -1.144 1.00 0.00 C ATOM 0 H MET A 35 -10.363 0.824 4.032 1.00 0.00 H new ATOM 0 HA MET A 35 -9.919 -0.048 1.342 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.956 2.196 0.663 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.422 2.789 2.224 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.160 1.887 1.796 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.692 1.287 0.237 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.388 4.554 -1.786 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.514 2.780 -1.721 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.622 3.786 -0.759 1.00 0.00 H new ATOM 585 N TRP A 36 -7.558 -0.625 2.008 1.00 0.00 N ATOM 586 CA TRP A 36 -6.309 -1.187 2.492 1.00 0.00 C ATOM 587 C TRP A 36 -5.150 -0.405 1.897 1.00 0.00 C ATOM 588 O TRP A 36 -4.591 -0.794 0.870 1.00 0.00 O ATOM 589 CB TRP A 36 -6.188 -2.651 2.095 1.00 0.00 C ATOM 590 CG TRP A 36 -6.374 -3.612 3.229 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.209 -4.688 3.252 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.714 -3.589 4.498 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.112 -5.337 4.457 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.203 -4.681 5.240 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.760 -2.754 5.080 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.770 -4.957 6.532 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -4.332 -3.030 6.362 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.836 -4.123 7.075 1.00 0.00 C ATOM 0 H TRP A 36 -7.764 -0.842 1.033 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.290 -1.120 3.580 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.927 -2.869 1.324 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.206 -2.816 1.651 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.854 -4.987 2.439 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.633 -6.172 4.725 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.364 -1.908 4.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.158 -5.800 7.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.594 -2.391 6.824 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.478 -4.311 8.077 1.00 0.00 H new ATOM 609 N THR A 37 -4.795 0.700 2.533 1.00 0.00 N ATOM 610 CA THR A 37 -3.716 1.537 2.025 1.00 0.00 C ATOM 611 C THR A 37 -2.790 1.998 3.154 1.00 0.00 C ATOM 612 O THR A 37 -2.849 1.465 4.259 1.00 0.00 O ATOM 613 CB THR A 37 -4.284 2.754 1.277 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.260 3.372 0.494 1.00 0.00 O ATOM 615 CG2 THR A 37 -4.859 3.763 2.251 1.00 0.00 C ATOM 0 H THR A 37 -5.231 1.037 3.392 1.00 0.00 H new ATOM 0 HA THR A 37 -3.130 0.936 1.330 1.00 0.00 H new ATOM 0 HB THR A 37 -5.082 2.408 0.620 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.518 3.359 -0.451 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.255 4.616 1.700 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.660 3.298 2.826 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.076 4.102 2.929 1.00 0.00 H new ATOM 623 N ARG A 38 -1.942 2.993 2.879 1.00 0.00 N ATOM 624 CA ARG A 38 -1.004 3.489 3.883 1.00 0.00 C ATOM 625 C ARG A 38 -1.637 4.570 4.761 1.00 0.00 C ATOM 626 O ARG A 38 -2.586 5.241 4.353 1.00 0.00 O ATOM 627 CB ARG A 38 0.266 4.018 3.209 1.00 0.00 C ATOM 628 CG ARG A 38 1.341 2.973 3.038 1.00 0.00 C ATOM 629 CD ARG A 38 2.449 3.459 2.122 1.00 0.00 C ATOM 630 NE ARG A 38 2.861 4.831 2.398 1.00 0.00 N ATOM 631 CZ ARG A 38 4.071 5.154 2.852 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.950 4.201 3.135 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.404 6.424 3.025 1.00 0.00 N ATOM 0 H ARG A 38 -1.887 3.466 1.977 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.738 2.654 4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.006 4.423 2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.664 4.843 3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.759 2.717 4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.903 2.062 2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.311 2.800 2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.114 3.388 1.087 1.00 0.00 H new ATOM 0 HE ARG A 38 2.189 5.581 2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.699 3.221 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.876 4.449 3.483 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.732 7.161 2.810 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.332 6.665 3.373 1.00 0.00 H new ATOM 647 N VAL A 39 -1.100 4.730 5.972 1.00 0.00 N ATOM 648 CA VAL A 39 -1.611 5.713 6.926 1.00 0.00 C ATOM 649 C VAL A 39 -1.250 7.139 6.520 1.00 0.00 C ATOM 650 O VAL A 39 -0.098 7.430 6.202 1.00 0.00 O ATOM 651 CB VAL A 39 -1.062 5.458 8.345 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.680 6.427 9.342 1.00 0.00 C ATOM 653 CG2 VAL A 39 -1.305 4.019 8.770 1.00 0.00 C ATOM 0 H VAL A 39 -0.307 4.188 6.315 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.695 5.602 6.925 1.00 0.00 H new ATOM 0 HB VAL A 39 0.015 5.627 8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.280 6.230 10.337 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.442 7.450 9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.762 6.296 9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.909 3.864 9.774 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.376 3.815 8.767 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.805 3.345 8.075 1.00 0.00 H new ATOM 663 N GLY A 40 -2.239 8.028 6.554 1.00 0.00 N ATOM 664 CA GLY A 40 -2.007 9.415 6.196 1.00 0.00 C ATOM 665 C GLY A 40 -1.972 9.632 4.697 1.00 0.00 C ATOM 666 O GLY A 40 -1.598 10.706 4.226 1.00 0.00 O ATOM 0 H GLY A 40 -3.198 7.811 6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.791 10.035 6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.063 9.745 6.629 1.00 0.00 H new ATOM 670 N PHE A 41 -2.363 8.608 3.947 1.00 0.00 N ATOM 671 CA PHE A 41 -2.375 8.685 2.492 1.00 0.00 C ATOM 672 C PHE A 41 -3.692 8.167 1.943 1.00 0.00 C ATOM 673 O PHE A 41 -3.939 8.210 0.739 1.00 0.00 O ATOM 674 CB PHE A 41 -1.210 7.885 1.922 1.00 0.00 C ATOM 675 CG PHE A 41 0.105 8.292 2.512 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.699 9.491 2.157 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.736 7.482 3.438 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.903 9.875 2.716 1.00 0.00 C ATOM 679 CE2 PHE A 41 1.939 7.859 4.003 1.00 0.00 C ATOM 680 CZ PHE A 41 2.524 9.057 3.640 1.00 0.00 C ATOM 0 H PHE A 41 -2.676 7.713 4.324 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.267 9.728 2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.376 6.824 2.108 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.176 8.017 0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.216 10.133 1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.283 6.544 3.723 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.357 10.812 2.431 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.421 7.219 4.727 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.466 9.354 4.078 1.00 0.00 H new ATOM 690 N VAL A 42 -4.527 7.664 2.842 1.00 0.00 N ATOM 691 CA VAL A 42 -5.832 7.143 2.470 1.00 0.00 C ATOM 692 C VAL A 42 -6.628 8.175 1.677 1.00 0.00 C ATOM 693 O VAL A 42 -7.037 9.205 2.215 1.00 0.00 O ATOM 694 CB VAL A 42 -6.632 6.724 3.714 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.908 6.004 3.310 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.769 5.857 4.619 1.00 0.00 C ATOM 0 H VAL A 42 -4.321 7.606 3.839 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.666 6.267 1.843 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.919 7.616 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.461 5.715 4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.523 6.667 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.656 5.113 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.343 5.564 5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.455 4.965 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.889 6.420 4.931 1.00 0.00 H new ATOM 706 N GLY A 43 -6.841 7.890 0.397 1.00 0.00 N ATOM 707 CA GLY A 43 -7.576 8.803 -0.458 1.00 0.00 C ATOM 708 C GLY A 43 -6.658 9.571 -1.389 1.00 0.00 C ATOM 709 O GLY A 43 -7.055 9.962 -2.486 1.00 0.00 O ATOM 0 H GLY A 43 -6.517 7.040 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.303 8.243 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.137 9.505 0.159 1.00 0.00 H new ATOM 763 N LEU A 47 1.075 6.906 -1.919 1.00 0.00 N ATOM 764 CA LEU A 47 1.140 6.520 -0.519 1.00 0.00 C ATOM 765 C LEU A 47 2.531 6.790 0.039 1.00 0.00 C ATOM 766 O LEU A 47 2.685 7.436 1.072 1.00 0.00 O ATOM 767 CB LEU A 47 0.781 5.044 -0.369 1.00 0.00 C ATOM 768 CG LEU A 47 -0.437 4.588 -1.181 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.684 3.099 -0.986 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.671 5.389 -0.795 1.00 0.00 C ATOM 0 HA LEU A 47 0.422 7.114 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.642 4.444 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.595 4.836 0.685 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.230 4.767 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.552 2.795 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.190 2.539 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.867 2.896 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.524 5.049 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.881 5.246 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.494 6.447 -0.990 1.00 0.00 H new ATOM 782 N SER A 48 3.542 6.289 -0.657 1.00 0.00 N ATOM 783 CA SER A 48 4.926 6.481 -0.255 1.00 0.00 C ATOM 784 C SER A 48 5.340 7.944 -0.386 1.00 0.00 C ATOM 785 O SER A 48 4.502 8.822 -0.587 1.00 0.00 O ATOM 786 CB SER A 48 5.834 5.610 -1.115 1.00 0.00 C ATOM 787 OG SER A 48 5.686 5.920 -2.489 1.00 0.00 O ATOM 0 H SER A 48 3.426 5.742 -1.510 1.00 0.00 H new ATOM 0 HA SER A 48 5.022 6.193 0.792 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.872 5.755 -0.816 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.599 4.559 -0.949 1.00 0.00 H new ATOM 0 HG SER A 48 6.531 5.751 -2.955 1.00 0.00 H new ATOM 793 N ASP A 49 6.642 8.197 -0.272 1.00 0.00 N ATOM 794 CA ASP A 49 7.172 9.552 -0.380 1.00 0.00 C ATOM 795 C ASP A 49 8.600 9.547 -0.914 1.00 0.00 C ATOM 796 O ASP A 49 8.826 9.679 -2.117 1.00 0.00 O ATOM 797 CB ASP A 49 7.134 10.254 0.978 1.00 0.00 C ATOM 798 CG ASP A 49 5.726 10.615 1.408 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.269 11.728 1.073 1.00 0.00 O ATOM 800 OD2 ASP A 49 5.080 9.783 2.079 1.00 0.00 O ATOM 0 H ASP A 49 7.349 7.481 -0.105 1.00 0.00 H new ATOM 0 HA ASP A 49 6.541 10.096 -1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.585 9.607 1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.739 11.159 0.932 1.00 0.00 H new ATOM 805 N GLU A 50 9.560 9.392 -0.009 1.00 0.00 N ATOM 806 CA GLU A 50 10.966 9.382 -0.376 1.00 0.00 C ATOM 807 C GLU A 50 11.708 8.235 0.305 1.00 0.00 C ATOM 808 O GLU A 50 12.667 7.690 -0.241 1.00 0.00 O ATOM 809 CB GLU A 50 11.593 10.715 0.021 1.00 0.00 C ATOM 810 CG GLU A 50 11.644 10.938 1.525 1.00 0.00 C ATOM 811 CD GLU A 50 12.305 12.251 1.898 1.00 0.00 C ATOM 812 OE1 GLU A 50 11.588 13.269 2.000 1.00 0.00 O ATOM 813 OE2 GLU A 50 13.539 12.260 2.092 1.00 0.00 O ATOM 0 H GLU A 50 9.386 9.271 0.989 1.00 0.00 H new ATOM 0 HA GLU A 50 11.045 9.237 -1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.605 10.765 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.027 11.525 -0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.631 10.919 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.187 10.116 1.992 1.00 0.00 H new ATOM 820 N ILE A 51 11.253 7.877 1.500 1.00 0.00 N ATOM 821 CA ILE A 51 11.869 6.806 2.271 1.00 0.00 C ATOM 822 C ILE A 51 11.567 5.443 1.670 1.00 0.00 C ATOM 823 O ILE A 51 12.372 4.886 0.928 1.00 0.00 O ATOM 824 CB ILE A 51 11.371 6.826 3.725 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.495 8.233 4.302 1.00 0.00 C ATOM 826 CG2 ILE A 51 12.140 5.823 4.571 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.926 8.689 4.501 1.00 0.00 C ATOM 0 H ILE A 51 10.454 8.317 1.958 1.00 0.00 H new ATOM 0 HA ILE A 51 12.946 6.975 2.247 1.00 0.00 H new ATOM 0 HB ILE A 51 10.320 6.538 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.989 8.934 3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.975 8.270 5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.772 5.854 5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.000 4.821 4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.201 6.074 4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.932 9.698 4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.431 8.012 5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.445 8.686 3.543 1.00 0.00 H new ATOM 839 N LEU A 52 10.408 4.904 2.016 1.00 0.00 N ATOM 840 CA LEU A 52 9.990 3.607 1.511 1.00 0.00 C ATOM 841 C LEU A 52 9.007 3.744 0.356 1.00 0.00 C ATOM 842 O LEU A 52 7.851 4.108 0.563 1.00 0.00 O ATOM 843 CB LEU A 52 9.338 2.796 2.630 1.00 0.00 C ATOM 844 CG LEU A 52 9.966 1.430 2.887 1.00 0.00 C ATOM 845 CD1 LEU A 52 9.226 0.703 4.000 1.00 0.00 C ATOM 846 CD2 LEU A 52 9.969 0.595 1.615 1.00 0.00 C ATOM 0 H LEU A 52 9.739 5.347 2.646 1.00 0.00 H new ATOM 0 HA LEU A 52 10.880 3.094 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.380 3.377 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.284 2.655 2.389 1.00 0.00 H new ATOM 0 HG LEU A 52 10.999 1.581 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.688 -0.270 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.276 1.293 4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.183 0.564 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.421 -0.376 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.945 0.454 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.544 1.108 0.844 1.00 0.00 H new ATOM 858 N GLU A 53 9.465 3.459 -0.863 1.00 0.00 N ATOM 859 CA GLU A 53 8.586 3.526 -2.023 1.00 0.00 C ATOM 860 C GLU A 53 7.445 2.541 -1.823 1.00 0.00 C ATOM 861 O GLU A 53 7.651 1.466 -1.265 1.00 0.00 O ATOM 862 CB GLU A 53 9.344 3.185 -3.308 1.00 0.00 C ATOM 863 CG GLU A 53 8.549 3.453 -4.575 1.00 0.00 C ATOM 864 CD GLU A 53 9.301 3.058 -5.831 1.00 0.00 C ATOM 865 OE1 GLU A 53 10.064 3.896 -6.355 1.00 0.00 O ATOM 866 OE2 GLU A 53 9.126 1.909 -6.290 1.00 0.00 O ATOM 0 H GLU A 53 10.425 3.184 -1.068 1.00 0.00 H new ATOM 0 HA GLU A 53 8.200 4.541 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.267 3.764 -3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.628 2.133 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.608 2.904 -4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.298 4.513 -4.625 1.00 0.00 H new ATOM 873 N VAL A 54 6.244 2.900 -2.253 1.00 0.00 N ATOM 874 CA VAL A 54 5.105 2.011 -2.081 1.00 0.00 C ATOM 875 C VAL A 54 4.131 2.089 -3.246 1.00 0.00 C ATOM 876 O VAL A 54 3.153 2.836 -3.204 1.00 0.00 O ATOM 877 CB VAL A 54 4.340 2.307 -0.774 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.283 1.244 -0.528 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.295 2.399 0.405 1.00 0.00 C ATOM 0 H VAL A 54 6.035 3.785 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 54 5.522 1.005 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 54 3.843 3.271 -0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.752 1.466 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.577 1.234 -1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.761 0.268 -0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.731 2.608 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.827 1.454 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.013 3.201 0.230 1.00 0.00 H new ATOM 889 N VAL A 55 4.409 1.322 -4.293 1.00 0.00 N ATOM 890 CA VAL A 55 3.532 1.279 -5.450 1.00 0.00 C ATOM 891 C VAL A 55 2.438 0.254 -5.214 1.00 0.00 C ATOM 892 O VAL A 55 2.535 -0.897 -5.638 1.00 0.00 O ATOM 893 CB VAL A 55 4.283 0.914 -6.735 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.352 1.024 -7.930 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.506 1.801 -6.914 1.00 0.00 C ATOM 0 H VAL A 55 5.233 0.724 -4.362 1.00 0.00 H new ATOM 0 HA VAL A 55 3.111 2.276 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 55 4.628 -0.117 -6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.894 0.763 -8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.511 0.342 -7.800 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.981 2.046 -8.010 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.024 1.525 -7.832 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.194 2.844 -6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.177 1.671 -6.065 1.00 0.00 H new ATOM 905 N CYS A 56 1.404 0.686 -4.520 1.00 0.00 N ATOM 906 CA CYS A 56 0.283 -0.182 -4.186 1.00 0.00 C ATOM 907 C CYS A 56 -0.910 0.080 -5.088 1.00 0.00 C ATOM 908 O CYS A 56 -1.290 1.229 -5.320 1.00 0.00 O ATOM 909 CB CYS A 56 -0.122 0.017 -2.726 1.00 0.00 C ATOM 910 SG CYS A 56 -1.712 -0.728 -2.293 1.00 0.00 S ATOM 0 H CYS A 56 1.313 1.641 -4.172 1.00 0.00 H new ATOM 0 HA CYS A 56 0.605 -1.212 -4.337 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.652 -0.405 -2.085 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.164 1.085 -2.514 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.803 -1.904 -2.839 1.00 0.00 H new ATOM 916 N LYS A 57 -1.496 -0.995 -5.595 1.00 0.00 N ATOM 917 CA LYS A 57 -2.655 -0.890 -6.459 1.00 0.00 C ATOM 918 C LYS A 57 -3.863 -1.541 -5.803 1.00 0.00 C ATOM 919 O LYS A 57 -3.844 -2.731 -5.467 1.00 0.00 O ATOM 920 CB LYS A 57 -2.379 -1.546 -7.809 1.00 0.00 C ATOM 921 CG LYS A 57 -1.027 -1.175 -8.397 1.00 0.00 C ATOM 922 CD LYS A 57 -0.740 -1.956 -9.670 1.00 0.00 C ATOM 923 CE LYS A 57 0.612 -1.585 -10.257 1.00 0.00 C ATOM 924 NZ LYS A 57 0.693 -0.139 -10.599 1.00 0.00 N ATOM 0 H LYS A 57 -1.184 -1.950 -5.420 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.867 0.167 -6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.433 -2.629 -7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.163 -1.260 -8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.003 -0.107 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.244 -1.371 -7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.764 -3.025 -9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.523 -1.760 -10.403 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.398 -1.833 -9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.794 -2.180 -11.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.522 0.029 -11.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.169 0.147 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.783 0.420 -9.726 1.00 0.00 H new ATOM 938 N TYR A 58 -4.904 -0.747 -5.606 1.00 0.00 N ATOM 939 CA TYR A 58 -6.133 -1.230 -4.999 1.00 0.00 C ATOM 940 C TYR A 58 -7.075 -1.720 -6.093 1.00 0.00 C ATOM 941 O TYR A 58 -7.808 -0.934 -6.692 1.00 0.00 O ATOM 942 CB TYR A 58 -6.792 -0.116 -4.177 1.00 0.00 C ATOM 943 CG TYR A 58 -7.860 -0.594 -3.218 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.862 -1.473 -3.630 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.874 -0.156 -1.896 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.846 -1.899 -2.759 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.856 -0.584 -1.022 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.838 -1.449 -1.458 1.00 0.00 C ATOM 949 OH TYR A 58 -10.816 -1.868 -0.585 1.00 0.00 O ATOM 0 H TYR A 58 -4.921 0.241 -5.860 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.906 -2.058 -4.327 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.020 0.406 -3.611 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.233 0.610 -4.860 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.869 -1.827 -4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.110 0.525 -1.550 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.615 -2.579 -3.096 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.854 -0.241 0.002 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.116 -2.766 -0.836 1.00 0.00 H new ATOM 959 N THR A 59 -7.043 -3.022 -6.351 1.00 0.00 N ATOM 960 CA THR A 59 -7.879 -3.619 -7.386 1.00 0.00 C ATOM 961 C THR A 59 -9.170 -4.187 -6.810 1.00 0.00 C ATOM 962 O THR A 59 -9.154 -5.205 -6.127 1.00 0.00 O ATOM 963 CB THR A 59 -7.132 -4.747 -8.119 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.872 -4.267 -8.604 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.956 -5.278 -9.282 1.00 0.00 C ATOM 0 H THR A 59 -6.446 -3.686 -5.857 1.00 0.00 H new ATOM 0 HA THR A 59 -8.121 -2.820 -8.087 1.00 0.00 H new ATOM 0 HB THR A 59 -6.965 -5.559 -7.411 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.402 -4.992 -9.068 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.406 -6.074 -9.784 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.902 -5.670 -8.909 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.151 -4.471 -9.988 1.00 0.00 H new ATOM 973 N PRO A 60 -10.306 -3.526 -7.079 1.00 0.00 N ATOM 974 CA PRO A 60 -11.609 -3.953 -6.617 1.00 0.00 C ATOM 975 C PRO A 60 -12.389 -4.654 -7.728 1.00 0.00 C ATOM 976 O PRO A 60 -13.211 -4.040 -8.408 1.00 0.00 O ATOM 977 CB PRO A 60 -12.238 -2.612 -6.264 1.00 0.00 C ATOM 978 CG PRO A 60 -11.688 -1.657 -7.283 1.00 0.00 C ATOM 979 CD PRO A 60 -10.429 -2.278 -7.839 1.00 0.00 C ATOM 0 HA PRO A 60 -11.586 -4.673 -5.799 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.326 -2.659 -6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.976 -2.305 -5.251 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.414 -1.481 -8.077 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.472 -0.690 -6.828 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.511 -2.465 -8.910 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.563 -1.632 -7.694 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.578 -7.288 -4.439 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.403 -7.580 -3.639 1.00 0.00 C ATOM 1137 C ILE A 73 -6.694 -6.300 -3.236 1.00 0.00 C ATOM 1138 O ILE A 73 -7.214 -5.200 -3.422 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.383 -8.480 -4.361 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.820 -7.778 -5.595 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -6.981 -9.826 -4.719 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.344 -7.462 -5.469 1.00 0.00 C ATOM 0 HA ILE A 73 -7.774 -8.114 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.559 -8.667 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.978 -8.409 -6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.372 -6.853 -5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.232 -10.433 -5.227 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.305 -10.334 -3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.837 -9.680 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.000 -6.964 -6.375 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.184 -6.808 -4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.785 -8.387 -5.329 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.499 -6.460 -2.689 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.699 -5.334 -2.244 1.00 0.00 C ATOM 1156 C TYR A 74 -3.221 -5.622 -2.481 1.00 0.00 C ATOM 1157 O TYR A 74 -2.575 -6.264 -1.657 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.962 -5.080 -0.757 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.421 -5.205 -0.377 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -7.299 -4.168 -0.634 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.926 -6.357 0.228 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -8.629 -4.265 -0.301 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.260 -6.458 0.559 1.00 0.00 C ATOM 1164 CZ TYR A 74 -9.105 -5.407 0.293 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.433 -5.496 0.622 1.00 0.00 O ATOM 0 H TYR A 74 -5.060 -7.369 -2.542 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.974 -4.444 -2.811 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.378 -5.786 -0.166 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.611 -4.081 -0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.934 -3.267 -1.104 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.261 -7.182 0.440 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.299 -3.443 -0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.639 -7.356 1.024 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.547 -5.302 1.576 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.687 -5.154 -3.610 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.288 -5.388 -3.932 1.00 0.00 C ATOM 1177 C VAL A 75 -0.444 -4.183 -3.559 1.00 0.00 C ATOM 1178 O VAL A 75 -0.729 -3.055 -3.960 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.080 -5.727 -5.423 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -1.576 -4.604 -6.314 1.00 0.00 C ATOM 1181 CG2 VAL A 75 0.386 -6.025 -5.701 1.00 0.00 C ATOM 0 H VAL A 75 -3.201 -4.616 -4.308 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.970 -6.251 -3.346 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.665 -6.618 -5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.416 -4.871 -7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.640 -4.443 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.029 -3.690 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.515 -6.262 -6.757 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.989 -5.153 -5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.706 -6.874 -5.097 1.00 0.00 H new ATOM 1191 N VAL A 76 0.589 -4.432 -2.776 1.00 0.00 N ATOM 1192 CA VAL A 76 1.478 -3.369 -2.322 1.00 0.00 C ATOM 1193 C VAL A 76 2.932 -3.630 -2.707 1.00 0.00 C ATOM 1194 O VAL A 76 3.497 -4.663 -2.351 1.00 0.00 O ATOM 1195 CB VAL A 76 1.399 -3.213 -0.792 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.230 -2.026 -0.331 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.047 -3.071 -0.339 1.00 0.00 C ATOM 0 H VAL A 76 0.837 -5.362 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 76 1.144 -2.455 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 76 1.809 -4.113 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.161 -1.933 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.271 -2.178 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.854 -1.116 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.080 -2.962 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.490 -2.191 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.609 -3.958 -0.632 1.00 0.00 H new ATOM 1207 N LEU A 77 3.531 -2.688 -3.440 1.00 0.00 N ATOM 1208 CA LEU A 77 4.931 -2.801 -3.838 1.00 0.00 C ATOM 1209 C LEU A 77 5.778 -1.858 -3.009 1.00 0.00 C ATOM 1210 O LEU A 77 5.928 -0.685 -3.346 1.00 0.00 O ATOM 1211 CB LEU A 77 5.121 -2.480 -5.322 1.00 0.00 C ATOM 1212 CG LEU A 77 4.437 -3.451 -6.286 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.722 -3.060 -7.727 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.893 -4.876 -6.016 1.00 0.00 C ATOM 0 H LEU A 77 3.067 -1.841 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 77 5.243 -3.831 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.743 -1.476 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.189 -2.465 -5.541 1.00 0.00 H new ATOM 0 HG LEU A 77 3.360 -3.399 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.228 -3.762 -8.399 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.346 -2.054 -7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.797 -3.084 -7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.397 -5.554 -6.710 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.972 -4.944 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.637 -5.152 -4.993 1.00 0.00 H new ATOM 1226 N VAL A 78 6.336 -2.371 -1.929 1.00 0.00 N ATOM 1227 CA VAL A 78 7.154 -1.548 -1.054 1.00 0.00 C ATOM 1228 C VAL A 78 8.624 -1.635 -1.449 1.00 0.00 C ATOM 1229 O VAL A 78 9.308 -2.612 -1.143 1.00 0.00 O ATOM 1230 CB VAL A 78 6.974 -1.940 0.425 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.605 -0.716 1.259 1.00 0.00 C ATOM 1232 CG2 VAL A 78 5.916 -3.023 0.573 1.00 0.00 C ATOM 0 H VAL A 78 6.240 -3.344 -1.637 1.00 0.00 H new ATOM 0 HA VAL A 78 6.820 -0.517 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 78 7.921 -2.338 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.481 -1.010 2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.398 0.028 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.672 -0.291 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.807 -3.283 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.964 -2.657 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.218 -3.906 0.010 1.00 0.00 H new ATOM 1242 N LYS A 79 9.094 -0.602 -2.147 1.00 0.00 N ATOM 1243 CA LYS A 79 10.471 -0.535 -2.614 1.00 0.00 C ATOM 1244 C LYS A 79 11.316 0.388 -1.734 1.00 0.00 C ATOM 1245 O LYS A 79 11.229 1.608 -1.851 1.00 0.00 O ATOM 1246 CB LYS A 79 10.499 -0.019 -4.052 1.00 0.00 C ATOM 1247 CG LYS A 79 10.602 -1.109 -5.102 1.00 0.00 C ATOM 1248 CD LYS A 79 11.082 -0.532 -6.425 1.00 0.00 C ATOM 1249 CE LYS A 79 12.071 -1.454 -7.114 1.00 0.00 C ATOM 1250 NZ LYS A 79 12.574 -0.875 -8.390 1.00 0.00 N ATOM 0 H LYS A 79 8.530 0.208 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 79 10.892 -1.539 -2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.595 0.562 -4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.344 0.661 -4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.292 -1.883 -4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.631 -1.585 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.227 -0.361 -7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.549 0.438 -6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.911 -1.648 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.594 -2.414 -7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.247 -1.535 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.775 -0.713 -9.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.052 0.028 -8.197 1.00 0.00 H new ATOM 1264 N PRO A 80 12.146 -0.175 -0.840 1.00 0.00 N ATOM 1265 CA PRO A 80 13.005 0.625 0.038 1.00 0.00 C ATOM 1266 C PRO A 80 13.908 1.571 -0.747 1.00 0.00 C ATOM 1267 O PRO A 80 14.983 1.183 -1.205 1.00 0.00 O ATOM 1268 CB PRO A 80 13.844 -0.420 0.778 1.00 0.00 C ATOM 1269 CG PRO A 80 13.055 -1.680 0.694 1.00 0.00 C ATOM 1270 CD PRO A 80 12.304 -1.621 -0.605 1.00 0.00 C ATOM 0 HA PRO A 80 12.422 1.265 0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.825 -0.537 0.317 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.012 -0.128 1.815 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.709 -2.551 0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.369 -1.766 1.536 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.857 -2.101 -1.412 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.340 -2.125 -0.536 1.00 0.00 H new ATOM 1278 N ARG A 81 13.467 2.815 -0.903 1.00 0.00 N ATOM 1279 CA ARG A 81 14.239 3.808 -1.635 1.00 0.00 C ATOM 1280 C ARG A 81 15.519 4.159 -0.885 1.00 0.00 C ATOM 1281 O ARG A 81 16.522 4.538 -1.490 1.00 0.00 O ATOM 1282 CB ARG A 81 13.408 5.064 -1.872 1.00 0.00 C ATOM 1283 CG ARG A 81 12.550 4.991 -3.122 1.00 0.00 C ATOM 1284 CD ARG A 81 11.573 6.149 -3.184 1.00 0.00 C ATOM 1285 NE ARG A 81 10.646 6.026 -4.307 1.00 0.00 N ATOM 1286 CZ ARG A 81 9.898 7.028 -4.759 1.00 0.00 C ATOM 1287 NH1 ARG A 81 9.969 8.223 -4.190 1.00 0.00 N ATOM 1288 NH2 ARG A 81 9.079 6.834 -5.783 1.00 0.00 N ATOM 0 H ARG A 81 12.581 3.157 -0.532 1.00 0.00 H new ATOM 0 HA ARG A 81 14.510 3.381 -2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.765 5.234 -1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.075 5.923 -1.947 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.188 5.002 -4.006 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.003 4.049 -3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.009 6.197 -2.252 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.125 7.085 -3.271 1.00 0.00 H new ATOM 0 HE ARG A 81 10.568 5.121 -4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.599 8.376 -3.403 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.394 8.989 -4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.023 5.916 -6.224 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.505 7.603 -6.130 1.00 0.00 H new ATOM 1302 N LYS A 82 15.473 4.028 0.436 1.00 0.00 N ATOM 1303 CA LYS A 82 16.625 4.325 1.279 1.00 0.00 C ATOM 1304 C LYS A 82 16.909 3.160 2.223 1.00 0.00 C ATOM 1305 O LYS A 82 16.139 2.202 2.288 1.00 0.00 O ATOM 1306 CB LYS A 82 16.377 5.602 2.084 1.00 0.00 C ATOM 1307 CG LYS A 82 16.006 6.802 1.229 1.00 0.00 C ATOM 1308 CD LYS A 82 15.858 8.062 2.066 1.00 0.00 C ATOM 1309 CE LYS A 82 15.471 9.258 1.211 1.00 0.00 C ATOM 1310 NZ LYS A 82 16.492 9.549 0.168 1.00 0.00 N ATOM 0 H LYS A 82 14.647 3.717 0.948 1.00 0.00 H new ATOM 0 HA LYS A 82 17.493 4.475 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.578 5.418 2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.273 5.839 2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.771 6.958 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.072 6.601 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.101 7.903 2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.796 8.270 2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.509 9.067 0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.343 10.133 1.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.309 10.486 -0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.439 9.538 0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.442 8.826 -0.578 1.00 0.00 H new ATOM 1324 N ARG A 83 18.017 3.246 2.951 1.00 0.00 N ATOM 1325 CA ARG A 83 18.394 2.198 3.894 1.00 0.00 C ATOM 1326 C ARG A 83 18.333 2.707 5.330 1.00 0.00 C ATOM 1327 O ARG A 83 18.756 3.825 5.622 1.00 0.00 O ATOM 1328 CB ARG A 83 19.797 1.679 3.579 1.00 0.00 C ATOM 1329 CG ARG A 83 20.747 2.760 3.093 1.00 0.00 C ATOM 1330 CD ARG A 83 22.147 2.213 2.869 1.00 0.00 C ATOM 1331 NE ARG A 83 22.725 1.671 4.096 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.982 1.248 4.195 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.790 1.304 3.144 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.434 0.768 5.346 1.00 0.00 N ATOM 0 H ARG A 83 18.669 4.029 2.907 1.00 0.00 H new ATOM 0 HA ARG A 83 17.682 1.379 3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.214 1.215 4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 83 19.726 0.900 2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 83 20.369 3.187 2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 83 20.784 3.568 3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.114 1.433 2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.789 3.006 2.485 1.00 0.00 H new ATOM 0 HE ARG A 83 22.131 1.614 4.923 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.448 1.672 2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.753 0.979 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.817 0.723 6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 83 25.398 0.444 5.420 1.00 0.00 H new ATOM 1348 N GLY A 84 17.803 1.874 6.221 1.00 0.00 N ATOM 1349 CA GLY A 84 17.690 2.251 7.618 1.00 0.00 C ATOM 1350 C GLY A 84 16.444 1.682 8.265 1.00 0.00 C ATOM 1351 O GLY A 84 16.106 0.517 8.056 1.00 0.00 O ATOM 0 H GLY A 84 17.449 0.943 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.570 1.902 8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.676 3.338 7.699 1.00 0.00 H new ATOM 1355 N HIS A 85 15.758 2.503 9.053 1.00 0.00 N ATOM 1356 CA HIS A 85 14.541 2.071 9.728 1.00 0.00 C ATOM 1357 C HIS A 85 13.306 2.543 8.969 1.00 0.00 C ATOM 1358 O HIS A 85 12.810 3.648 9.191 1.00 0.00 O ATOM 1359 CB HIS A 85 14.504 2.603 11.160 1.00 0.00 C ATOM 1360 CG HIS A 85 15.674 2.174 11.990 1.00 0.00 C ATOM 1361 ND1 HIS A 85 16.750 2.996 12.256 1.00 0.00 N ATOM 1362 CD2 HIS A 85 15.934 1.003 12.618 1.00 0.00 C ATOM 1363 CE1 HIS A 85 17.621 2.348 13.009 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.149 1.138 13.244 1.00 0.00 N ATOM 0 H HIS A 85 16.024 3.470 9.239 1.00 0.00 H new ATOM 0 HA HIS A 85 14.540 0.981 9.755 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.468 3.692 11.133 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.585 2.266 11.640 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.303 0.126 12.625 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.560 2.741 13.371 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.612 0.419 13.801 1.00 0.00 H new ATOM 1373 N HIS A 86 12.819 1.698 8.066 1.00 0.00 N ATOM 1374 CA HIS A 86 11.642 2.024 7.267 1.00 0.00 C ATOM 1375 C HIS A 86 10.464 1.143 7.664 1.00 0.00 C ATOM 1376 O HIS A 86 10.640 0.121 8.328 1.00 0.00 O ATOM 1377 CB HIS A 86 11.947 1.852 5.778 1.00 0.00 C ATOM 1378 CG HIS A 86 13.129 2.644 5.311 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.906 3.410 6.153 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.667 2.786 4.076 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.870 3.987 5.458 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.747 3.625 4.196 1.00 0.00 N ATOM 0 H HIS A 86 13.221 0.782 7.869 1.00 0.00 H new ATOM 0 HA HIS A 86 11.377 3.064 7.455 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.124 0.796 5.572 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.071 2.148 5.200 1.00 0.00 H new ATOM 0 HD1 HIS A 86 13.759 3.515 7.157 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.312 2.325 3.166 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.630 4.644 5.856 1.00 0.00 H new ATOM 1391 N THR A 87 9.261 1.538 7.253 1.00 0.00 N ATOM 1392 CA THR A 87 8.061 0.780 7.586 1.00 0.00 C ATOM 1393 C THR A 87 6.912 1.084 6.625 1.00 0.00 C ATOM 1394 O THR A 87 6.891 2.129 5.975 1.00 0.00 O ATOM 1395 CB THR A 87 7.605 1.085 9.024 1.00 0.00 C ATOM 1396 OG1 THR A 87 8.688 0.882 9.939 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.436 0.201 9.419 1.00 0.00 C ATOM 0 H THR A 87 9.093 2.373 6.692 1.00 0.00 H new ATOM 0 HA THR A 87 8.320 -0.275 7.497 1.00 0.00 H new ATOM 0 HB THR A 87 7.286 2.127 9.064 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.501 0.099 10.499 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.131 0.435 10.439 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.601 0.378 8.741 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.735 -0.846 9.361 1.00 0.00 H new ATOM 1405 N LEU A 88 5.958 0.155 6.543 1.00 0.00 N ATOM 1406 CA LEU A 88 4.797 0.313 5.674 1.00 0.00 C ATOM 1407 C LEU A 88 3.504 0.187 6.477 1.00 0.00 C ATOM 1408 O LEU A 88 2.953 -0.905 6.622 1.00 0.00 O ATOM 1409 CB LEU A 88 4.831 -0.735 4.562 1.00 0.00 C ATOM 1410 CG LEU A 88 3.551 -0.851 3.731 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.461 0.288 2.731 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.503 -2.192 3.017 1.00 0.00 C ATOM 0 H LEU A 88 5.970 -0.717 7.071 1.00 0.00 H new ATOM 0 HA LEU A 88 4.829 1.307 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.659 -0.503 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.044 -1.707 5.008 1.00 0.00 H new ATOM 0 HG LEU A 88 2.695 -0.786 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.545 0.190 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.452 1.239 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.321 0.254 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.587 -2.259 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.365 -2.283 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.523 -2.997 3.752 1.00 0.00 H new ATOM 1424 N GLU A 89 3.037 1.308 7.010 1.00 0.00 N ATOM 1425 CA GLU A 89 1.815 1.334 7.803 1.00 0.00 C ATOM 1426 C GLU A 89 0.566 1.200 6.942 1.00 0.00 C ATOM 1427 O GLU A 89 0.128 2.168 6.325 1.00 0.00 O ATOM 1428 CB GLU A 89 1.742 2.637 8.590 1.00 0.00 C ATOM 1429 CG GLU A 89 2.708 2.691 9.749 1.00 0.00 C ATOM 1430 CD GLU A 89 2.714 4.037 10.448 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.506 4.914 10.042 1.00 0.00 O ATOM 1432 OE2 GLU A 89 1.925 4.213 11.401 1.00 0.00 O ATOM 0 H GLU A 89 3.489 2.217 6.907 1.00 0.00 H new ATOM 0 HA GLU A 89 1.848 0.480 8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.945 3.471 7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.727 2.770 8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.449 1.914 10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.713 2.469 9.389 1.00 0.00 H new ATOM 1439 N LEU A 90 -0.009 0.001 6.906 1.00 0.00 N ATOM 1440 CA LEU A 90 -1.230 -0.225 6.141 1.00 0.00 C ATOM 1441 C LEU A 90 -2.418 -0.391 7.084 1.00 0.00 C ATOM 1442 O LEU A 90 -2.308 -1.042 8.124 1.00 0.00 O ATOM 1443 CB LEU A 90 -1.095 -1.450 5.234 1.00 0.00 C ATOM 1444 CG LEU A 90 -0.052 -1.321 4.119 1.00 0.00 C ATOM 1445 CD1 LEU A 90 -0.039 -2.575 3.258 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.324 -0.091 3.265 1.00 0.00 C ATOM 0 H LEU A 90 0.347 -0.821 7.393 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.399 0.645 5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.841 -2.313 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.065 -1.656 4.781 1.00 0.00 H new ATOM 0 HG LEU A 90 0.929 -1.205 4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.707 -2.468 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.207 -3.438 3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.022 -2.719 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.429 -0.019 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.313 -0.173 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.283 0.802 3.889 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.552 0.200 6.716 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.753 0.126 7.544 1.00 0.00 C ATOM 1460 C VAL A 91 -6.014 -0.089 6.709 1.00 0.00 C ATOM 1461 O VAL A 91 -6.006 0.078 5.483 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.947 1.416 8.365 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.640 1.176 9.834 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -4.102 2.550 7.798 1.00 0.00 C ATOM 0 H VAL A 91 -3.665 0.733 5.854 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.606 -0.727 8.207 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.993 1.713 8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.784 2.101 10.392 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.308 0.409 10.225 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.607 0.846 9.941 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.255 3.450 8.393 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.049 2.269 7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.397 2.743 6.766 1.00 0.00 H new ATOM 1474 N TYR A 92 -7.095 -0.455 7.400 1.00 0.00 N ATOM 1475 CA TYR A 92 -8.398 -0.679 6.775 1.00 0.00 C ATOM 1476 C TYR A 92 -9.327 0.487 7.118 1.00 0.00 C ATOM 1477 O TYR A 92 -10.116 0.401 8.058 1.00 0.00 O ATOM 1478 CB TYR A 92 -9.004 -1.991 7.289 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.471 -2.951 6.213 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.768 -2.516 4.926 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -9.619 -4.305 6.495 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.195 -3.401 3.956 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -10.047 -5.195 5.530 1.00 0.00 C ATOM 1484 CZ TYR A 92 -10.334 -4.738 4.263 1.00 0.00 C ATOM 1485 OH TYR A 92 -10.760 -5.623 3.299 1.00 0.00 O ATOM 0 H TYR A 92 -7.091 -0.604 8.409 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.276 -0.745 5.694 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.263 -2.497 7.908 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.850 -1.754 7.934 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.663 -1.469 4.681 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.395 -4.667 7.488 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.419 -3.047 2.961 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.156 -6.243 5.767 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.803 -6.525 3.679 1.00 0.00 H new ATOM 1495 N THR A 93 -9.241 1.571 6.350 1.00 0.00 N ATOM 1496 CA THR A 93 -10.036 2.767 6.631 1.00 0.00 C ATOM 1497 C THR A 93 -10.854 3.254 5.439 1.00 0.00 C ATOM 1498 O THR A 93 -10.540 2.958 4.294 1.00 0.00 O ATOM 1499 CB THR A 93 -9.116 3.912 7.045 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.883 5.092 7.296 1.00 0.00 O ATOM 1501 CG2 THR A 93 -8.101 4.180 5.949 1.00 0.00 C ATOM 0 H THR A 93 -8.634 1.647 5.534 1.00 0.00 H new ATOM 0 HA THR A 93 -10.726 2.482 7.425 1.00 0.00 H new ATOM 0 HB THR A 93 -8.591 3.631 7.958 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.966 5.610 6.468 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.447 4.998 6.251 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.505 3.284 5.778 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.621 4.451 5.030 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.884 4.049 5.731 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.748 4.614 4.698 1.00 0.00 C ATOM 1511 C ARG A 94 -12.253 6.002 4.284 1.00 0.00 C ATOM 1512 O ARG A 94 -12.492 6.982 4.990 1.00 0.00 O ATOM 1513 CB ARG A 94 -14.189 4.718 5.205 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.754 3.406 5.720 1.00 0.00 C ATOM 1515 CD ARG A 94 -16.178 3.568 6.224 1.00 0.00 C ATOM 1516 NE ARG A 94 -17.089 3.995 5.166 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.394 4.174 5.344 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.940 3.965 6.536 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -19.156 4.563 4.331 1.00 0.00 N ATOM 0 H ARG A 94 -12.140 4.317 6.681 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.719 3.952 3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.231 5.459 6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.823 5.084 4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.732 2.662 4.923 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.123 3.029 6.525 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.525 2.622 6.641 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.195 4.298 7.033 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.702 4.166 4.238 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.358 3.666 7.318 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.942 4.103 6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.741 4.725 3.414 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.157 4.700 4.469 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.546 6.098 3.140 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.012 7.358 2.625 1.00 0.00 C ATOM 1535 C PRO A 95 -11.897 8.572 2.913 1.00 0.00 C ATOM 1536 O PRO A 95 -11.398 9.632 3.291 1.00 0.00 O ATOM 1537 CB PRO A 95 -10.946 7.099 1.122 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.722 5.627 0.983 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.190 4.971 2.260 1.00 0.00 C ATOM 0 HA PRO A 95 -10.061 7.609 3.094 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.869 7.404 0.630 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.137 7.665 0.661 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.272 5.235 0.127 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.667 5.415 0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.046 4.320 2.082 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.407 4.355 2.701 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.205 8.417 2.736 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.142 9.508 2.959 1.00 0.00 C ATOM 1549 C PHE A 96 -14.472 9.690 4.442 1.00 0.00 C ATOM 1550 O PHE A 96 -14.349 10.790 4.979 1.00 0.00 O ATOM 1551 CB PHE A 96 -15.424 9.270 2.162 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.668 7.833 1.800 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -16.365 6.996 2.657 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -15.204 7.320 0.598 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -16.593 5.676 2.324 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -15.430 5.999 0.260 1.00 0.00 C ATOM 1557 CZ PHE A 96 -16.126 5.176 1.125 1.00 0.00 C ATOM 0 H PHE A 96 -13.639 7.543 2.438 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.663 10.425 2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.272 9.636 2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -15.385 9.861 1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -16.734 7.381 3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -14.660 7.960 -0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -17.137 5.034 3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -15.063 5.611 -0.679 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.304 4.143 0.863 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.891 8.611 5.097 1.00 0.00 N ATOM 1568 CA GLU A 97 -15.248 8.668 6.514 1.00 0.00 C ATOM 1569 C GLU A 97 -14.021 8.860 7.399 1.00 0.00 C ATOM 1570 O GLU A 97 -14.124 8.838 8.625 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.984 7.394 6.928 1.00 0.00 C ATOM 1572 CG GLU A 97 -17.371 7.263 6.321 1.00 0.00 C ATOM 1573 CD GLU A 97 -18.291 8.401 6.715 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.978 8.278 7.751 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.325 9.417 5.989 1.00 0.00 O ATOM 0 H GLU A 97 -14.992 7.689 4.672 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.902 9.529 6.650 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -15.387 6.530 6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -16.069 7.371 8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.286 7.229 5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.813 6.318 6.636 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.862 9.047 6.779 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.642 9.231 7.542 1.00 0.00 C ATOM 1584 C GLY A 98 -11.149 7.935 8.138 1.00 0.00 C ATOM 1585 O GLY A 98 -11.652 6.863 7.803 1.00 0.00 O ATOM 0 H GLY A 98 -12.745 9.074 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.870 9.650 6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.818 9.953 8.339 1.00 0.00 H new ATOM 1589 N ILE A 99 -10.172 8.029 9.029 1.00 0.00 N ATOM 1590 CA ILE A 99 -9.607 6.846 9.651 1.00 0.00 C ATOM 1591 C ILE A 99 -9.872 6.800 11.149 1.00 0.00 C ATOM 1592 O ILE A 99 -10.083 7.829 11.793 1.00 0.00 O ATOM 1593 CB ILE A 99 -8.096 6.769 9.400 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.780 7.237 7.976 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -7.605 5.348 9.629 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -6.298 7.316 7.679 1.00 0.00 C ATOM 0 H ILE A 99 -9.757 8.909 9.335 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.099 5.988 9.193 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.578 7.426 10.099 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.248 6.555 7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.227 8.219 7.818 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.531 5.301 9.449 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.814 5.052 10.657 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.118 4.671 8.945 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.150 7.654 6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.827 8.020 8.365 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.849 6.331 7.805 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.855 5.587 11.692 1.00 0.00 N ATOM 1609 CA LYS A 100 -10.094 5.363 13.109 1.00 0.00 C ATOM 1610 C LYS A 100 -9.273 4.172 13.605 1.00 0.00 C ATOM 1611 O LYS A 100 -8.855 3.326 12.814 1.00 0.00 O ATOM 1612 CB LYS A 100 -11.584 5.117 13.356 1.00 0.00 C ATOM 1613 CG LYS A 100 -12.463 6.300 12.978 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.942 5.959 13.085 1.00 0.00 C ATOM 1615 CE LYS A 100 -14.386 5.039 11.959 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.806 4.621 12.111 1.00 0.00 N ATOM 0 H LYS A 100 -9.675 4.735 11.161 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.786 6.251 13.661 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.900 4.243 12.786 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.736 4.883 14.410 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -12.236 7.144 13.629 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -12.234 6.612 11.959 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -14.137 5.481 14.045 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -14.530 6.876 13.060 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -14.257 5.547 11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.748 4.156 11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.070 3.995 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.924 4.114 13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -16.418 5.462 12.104 1.00 0.00 H new ATOM 1630 N PRO A 101 -9.030 4.094 14.924 1.00 0.00 N ATOM 1631 CA PRO A 101 -8.249 3.004 15.525 1.00 0.00 C ATOM 1632 C PRO A 101 -8.879 1.634 15.297 1.00 0.00 C ATOM 1633 O PRO A 101 -8.177 0.636 15.133 1.00 0.00 O ATOM 1634 CB PRO A 101 -8.242 3.342 17.020 1.00 0.00 C ATOM 1635 CG PRO A 101 -9.380 4.287 17.213 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.497 5.056 15.933 1.00 0.00 C ATOM 0 HA PRO A 101 -7.255 2.936 15.084 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.368 2.445 17.627 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.297 3.798 17.316 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.302 3.748 17.431 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.195 4.955 18.054 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.523 5.372 15.745 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.883 5.957 15.946 1.00 0.00 H new ATOM 1644 N GLU A 102 -10.205 1.598 15.290 1.00 0.00 N ATOM 1645 CA GLU A 102 -10.942 0.352 15.089 1.00 0.00 C ATOM 1646 C GLU A 102 -10.600 -0.301 13.751 1.00 0.00 C ATOM 1647 O GLU A 102 -10.955 -1.455 13.507 1.00 0.00 O ATOM 1648 CB GLU A 102 -12.442 0.614 15.168 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.890 1.728 14.251 1.00 0.00 C ATOM 1650 CD GLU A 102 -14.379 1.999 14.335 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -15.141 1.374 13.568 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.785 2.834 15.170 1.00 0.00 O ATOM 0 H GLU A 102 -10.796 2.419 15.421 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.647 -0.337 15.881 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -12.980 -0.299 14.913 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.709 0.865 16.195 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.346 2.639 14.501 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.630 1.473 13.224 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.912 0.438 12.887 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.529 -0.074 11.575 1.00 0.00 C ATOM 1661 C ASN A 103 -8.441 -1.135 11.687 1.00 0.00 C ATOM 1662 O ASN A 103 -7.524 -1.014 12.498 1.00 0.00 O ATOM 1663 CB ASN A 103 -9.049 1.070 10.681 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.154 2.057 10.351 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -9.899 3.242 10.148 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -11.391 1.574 10.290 1.00 0.00 N ATOM 0 H ASN A 103 -9.608 1.394 13.071 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.409 -0.537 11.129 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.233 1.596 11.177 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.646 0.658 9.755 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.170 2.194 10.068 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.561 0.584 10.465 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.553 -2.180 10.867 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.582 -3.255 10.861 1.00 0.00 C ATOM 1675 C GLU A 104 -6.180 -2.711 10.630 1.00 0.00 C ATOM 1676 O GLU A 104 -6.011 -1.589 10.149 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.943 -4.271 9.786 1.00 0.00 C ATOM 1678 CG GLU A 104 -8.500 -5.563 10.348 1.00 0.00 C ATOM 1679 CD GLU A 104 -9.937 -5.427 10.812 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -10.850 -5.650 9.990 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -10.150 -5.099 11.998 1.00 0.00 O ATOM 0 H GLU A 104 -9.314 -2.298 10.198 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.598 -3.747 11.833 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.676 -3.830 9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.056 -4.493 9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.440 -6.341 9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.881 -5.887 11.185 1.00 0.00 H new ATOM 1688 N ARG A 105 -5.178 -3.513 10.964 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.790 -3.097 10.816 1.00 0.00 C ATOM 1690 C ARG A 105 -3.002 -4.057 9.930 1.00 0.00 C ATOM 1691 O ARG A 105 -3.425 -5.183 9.679 1.00 0.00 O ATOM 1692 CB ARG A 105 -3.132 -3.018 12.203 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.703 -2.497 12.188 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.642 -1.059 12.669 1.00 0.00 C ATOM 1695 NE ARG A 105 -2.085 -0.926 14.053 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.928 0.179 14.776 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.337 1.242 14.248 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.361 0.220 16.029 1.00 0.00 N ATOM 0 H ARG A 105 -5.300 -4.454 11.339 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.780 -2.118 10.336 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.735 -2.373 12.842 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -3.140 -4.011 12.653 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.077 -3.123 12.824 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.299 -2.564 11.178 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.621 -0.689 12.578 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.265 -0.435 12.028 1.00 0.00 H new ATOM 0 HE ARG A 105 -2.541 -1.726 14.491 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.002 1.213 13.285 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.218 2.088 14.805 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.815 -0.596 16.439 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.240 1.068 16.583 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.879 -3.560 9.421 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.953 -4.335 8.605 1.00 0.00 C ATOM 1714 C TYR A 106 0.280 -3.481 8.344 1.00 0.00 C ATOM 1715 O TYR A 106 0.544 -3.048 7.222 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.596 -4.807 7.295 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.771 -5.823 6.544 1.00 0.00 C ATOM 1718 CD1 TYR A 106 0.202 -5.437 5.633 1.00 0.00 C ATOM 1719 CD2 TYR A 106 -0.976 -7.179 6.749 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.949 -6.375 4.950 1.00 0.00 C ATOM 1721 CE2 TYR A 106 -0.236 -8.123 6.072 1.00 0.00 C ATOM 1722 CZ TYR A 106 0.727 -7.717 5.172 1.00 0.00 C ATOM 1723 OH TYR A 106 1.468 -8.657 4.493 1.00 0.00 O ATOM 0 H TYR A 106 -1.583 -2.595 9.566 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.671 -5.240 9.142 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.573 -5.237 7.515 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.765 -3.943 6.652 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.377 -4.386 5.456 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.730 -7.501 7.452 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.704 -6.059 4.245 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.409 -9.175 6.245 1.00 0.00 H new ATOM 0 HH TYR A 106 1.187 -9.555 4.766 1.00 0.00 H new ATOM 1733 N THR A 107 1.016 -3.215 9.418 1.00 0.00 N ATOM 1734 CA THR A 107 2.214 -2.394 9.355 1.00 0.00 C ATOM 1735 C THR A 107 3.442 -3.230 9.010 1.00 0.00 C ATOM 1736 O THR A 107 4.104 -3.777 9.892 1.00 0.00 O ATOM 1737 CB THR A 107 2.449 -1.669 10.693 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.224 -1.086 11.154 1.00 0.00 O ATOM 1739 CG2 THR A 107 3.498 -0.584 10.543 1.00 0.00 C ATOM 0 H THR A 107 0.798 -3.562 10.352 1.00 0.00 H new ATOM 0 HA THR A 107 2.060 -1.657 8.567 1.00 0.00 H new ATOM 0 HB THR A 107 2.804 -2.401 11.419 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.422 -0.381 11.805 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.646 -0.086 11.501 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.438 -1.029 10.216 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.165 0.144 9.804 1.00 0.00 H new ATOM 1747 N LEU A 108 3.740 -3.320 7.720 1.00 0.00 N ATOM 1748 CA LEU A 108 4.883 -4.092 7.251 1.00 0.00 C ATOM 1749 C LEU A 108 6.195 -3.393 7.587 1.00 0.00 C ATOM 1750 O LEU A 108 6.661 -2.532 6.840 1.00 0.00 O ATOM 1751 CB LEU A 108 4.784 -4.314 5.741 1.00 0.00 C ATOM 1752 CG LEU A 108 5.961 -5.063 5.113 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.064 -6.471 5.678 1.00 0.00 C ATOM 1754 CD2 LEU A 108 5.819 -5.101 3.600 1.00 0.00 C ATOM 0 H LEU A 108 3.205 -2.867 6.979 1.00 0.00 H new ATOM 0 HA LEU A 108 4.870 -5.056 7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.869 -4.867 5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.690 -3.344 5.253 1.00 0.00 H new ATOM 0 HG LEU A 108 6.879 -4.530 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.907 -6.987 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.214 -6.420 6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.145 -7.017 5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.664 -5.637 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.892 -5.610 3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.798 -4.083 3.211 1.00 0.00 H new ATOM 1766 N HIS A 109 6.787 -3.766 8.716 1.00 0.00 N ATOM 1767 CA HIS A 109 8.051 -3.181 9.141 1.00 0.00 C ATOM 1768 C HIS A 109 9.214 -3.797 8.375 1.00 0.00 C ATOM 1769 O HIS A 109 9.229 -4.998 8.099 1.00 0.00 O ATOM 1770 CB HIS A 109 8.243 -3.352 10.642 1.00 0.00 C ATOM 1771 CG HIS A 109 7.544 -2.308 11.454 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.198 -1.243 12.037 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.237 -2.167 11.776 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.324 -0.493 12.684 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.127 -1.031 12.540 1.00 0.00 N ATOM 0 H HIS A 109 6.412 -4.470 9.352 1.00 0.00 H new ATOM 0 HA HIS A 109 8.026 -2.114 8.919 1.00 0.00 H new ATOM 0 HB2 HIS A 109 7.878 -4.336 10.938 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.309 -3.325 10.870 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.431 -2.825 11.486 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.550 0.407 13.237 1.00 0.00 H new ATOM 0 HE2 HIS A 109 5.261 -0.663 12.933 1.00 0.00 H new ATOM 1784 N LEU A 110 10.194 -2.964 8.056 1.00 0.00 N ATOM 1785 CA LEU A 110 11.356 -3.392 7.287 1.00 0.00 C ATOM 1786 C LEU A 110 12.631 -2.712 7.774 1.00 0.00 C ATOM 1787 O LEU A 110 12.819 -1.511 7.573 1.00 0.00 O ATOM 1788 CB LEU A 110 11.147 -3.067 5.805 1.00 0.00 C ATOM 1789 CG LEU A 110 9.965 -3.776 5.139 1.00 0.00 C ATOM 1790 CD1 LEU A 110 9.762 -3.254 3.725 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.176 -5.283 5.127 1.00 0.00 C ATOM 0 H LEU A 110 10.208 -1.979 8.320 1.00 0.00 H new ATOM 0 HA LEU A 110 11.466 -4.468 7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.008 -1.991 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.056 -3.324 5.262 1.00 0.00 H new ATOM 0 HG LEU A 110 9.067 -3.564 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.918 -3.768 3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.561 -2.183 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.662 -3.436 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.324 -5.766 4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.084 -5.519 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.271 -5.645 6.151 1.00 0.00 H new ATOM 1803 N ASN A 111 13.503 -3.480 8.418 1.00 0.00 N ATOM 1804 CA ASN A 111 14.769 -2.955 8.899 1.00 0.00 C ATOM 1805 C ASN A 111 15.767 -2.931 7.752 1.00 0.00 C ATOM 1806 O ASN A 111 16.750 -3.672 7.749 1.00 0.00 O ATOM 1807 CB ASN A 111 15.302 -3.808 10.048 1.00 0.00 C ATOM 1808 CG ASN A 111 14.674 -3.451 11.379 1.00 0.00 C ATOM 1809 OD1 ASN A 111 13.522 -3.021 11.442 1.00 0.00 O ATOM 1810 ND2 ASN A 111 15.434 -3.625 12.455 1.00 0.00 N ATOM 0 H ASN A 111 13.353 -4.469 8.618 1.00 0.00 H new ATOM 0 HA ASN A 111 14.619 -1.942 9.272 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.114 -4.860 9.832 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.383 -3.685 10.116 1.00 0.00 H new ATOM 0 HD21 ASN A 111 15.068 -3.400 13.380 1.00 0.00 H new ATOM 0 HD22 ASN A 111 16.384 -3.984 12.356 1.00 0.00 H new ATOM 1817 N VAL A 112 15.491 -2.078 6.774 1.00 0.00 N ATOM 1818 CA VAL A 112 16.333 -1.954 5.591 1.00 0.00 C ATOM 1819 C VAL A 112 17.805 -1.826 5.968 1.00 0.00 C ATOM 1820 O VAL A 112 18.227 -0.812 6.525 1.00 0.00 O ATOM 1821 CB VAL A 112 15.924 -0.738 4.738 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.328 -0.945 3.290 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.429 -0.478 4.845 1.00 0.00 C ATOM 0 H VAL A 112 14.682 -1.456 6.778 1.00 0.00 H new ATOM 0 HA VAL A 112 16.192 -2.864 5.008 1.00 0.00 H new ATOM 0 HB VAL A 112 16.447 0.138 5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.031 -0.077 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.409 -1.073 3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 112 15.834 -1.834 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.165 0.385 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 112 13.882 -1.352 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.168 -0.280 5.885 1.00 0.00 H new ATOM 1833 N LYS A 113 18.581 -2.862 5.663 1.00 0.00 N ATOM 1834 CA LYS A 113 20.002 -2.869 5.970 1.00 0.00 C ATOM 1835 C LYS A 113 20.825 -2.469 4.750 1.00 0.00 C ATOM 1836 O LYS A 113 21.173 -3.364 3.952 1.00 0.00 O ATOM 1837 CB LYS A 113 20.420 -4.256 6.454 1.00 0.00 C ATOM 1838 CG LYS A 113 19.795 -4.659 7.779 1.00 0.00 C ATOM 1839 CD LYS A 113 20.210 -3.727 8.905 1.00 0.00 C ATOM 1840 CE LYS A 113 19.533 -4.106 10.210 1.00 0.00 C ATOM 1841 NZ LYS A 113 19.966 -3.234 11.336 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.115 -1.263 4.603 1.00 0.00 O ATOM 0 H LYS A 113 18.246 -3.708 5.202 1.00 0.00 H new ATOM 0 HA LYS A 113 20.188 -2.140 6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.149 -4.992 5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 113 21.505 -4.284 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 113 18.709 -4.655 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.089 -5.679 8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 113 21.292 -3.763 9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 113 19.953 -2.700 8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 113 18.452 -4.035 10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 113 19.760 -5.145 10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 19.480 -3.526 12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.994 -3.320 11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 19.726 -2.245 11.121 1.00 0.00 H new