USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 592 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 422 CYS SG : rot -165:sc= 1.12 USER MOD Set 1.2: A 424 SER OG : rot 55:sc= 0.199 USER MOD Set 1.3: A 425 CYS SG : rot -122:sc= 0.314 USER MOD Set 1.4: A 438 HIS : no HE2:sc= -0.338 K(o=0.2,f=-2) USER MOD Set 1.5: A 443 HIS : no HE2:sc= -1.09 K(o=0.2,f=-1.5) USER MOD Set 2.1: A 392 CYS SG : rot -153:sc= -0.27 USER MOD Set 2.2: A 395 CYS SG : rot 146:sc= 0.634 USER MOD Set 2.3: A 408 HIS : no HE2:sc= 0.431 K(o=0.42,f=-3.8) USER MOD Set 2.4: A 412 HIS : no HD1:sc= -0.379 K(o=0.42,f=-8!) USER MOD Set 3.1: A 364 CYS SG : rot -153:sc= -0.656 USER MOD Set 3.2: A 367 CYS SG : rot -129:sc= 0.191 USER MOD Set 3.3: A 380 HIS : no HE2:sc= 0.25 K(o=-0.21,f=-1.8) USER MOD Single : A 369 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.27) USER MOD Single : A 378 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 TYR OH : rot 180:sc= 0 USER MOD Single : A 391 SER OG : rot -112:sc= 0.884 USER MOD Single : A 400 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0794) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 MET CE :methyl -158:sc= -1.53 (180deg=-2.22!) USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 SER OG : rot 180:sc= 0 USER MOD Single : A 418 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.1!) USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 SER OG : rot 180:sc=-0.00145 USER MOD Single : A 434 HIS :FLIP no HD1:sc= -0.0274 F(o=-0.55,f=-0.027) USER MOD Single : A 436 ASN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 362 -12.375 -22.073 -19.213 1.00 0.00 N ATOM 67 CA VAL A 362 -11.255 -21.350 -18.624 1.00 0.00 C ATOM 68 C VAL A 362 -11.738 -20.326 -17.603 1.00 0.00 C ATOM 69 O VAL A 362 -12.788 -19.708 -17.777 1.00 0.00 O ATOM 70 CB VAL A 362 -10.423 -20.630 -19.702 1.00 0.00 C ATOM 71 CG1 VAL A 362 -11.300 -19.691 -20.516 1.00 0.00 C ATOM 72 CG2 VAL A 362 -9.266 -19.875 -19.065 1.00 0.00 C ATOM 0 HA VAL A 362 -10.628 -22.089 -18.125 1.00 0.00 H new ATOM 0 HB VAL A 362 -10.010 -21.379 -20.378 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -10.694 -19.192 -21.272 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -12.090 -20.262 -21.003 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -11.745 -18.945 -19.857 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -8.689 -19.372 -19.841 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -9.655 -19.135 -18.366 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -8.624 -20.576 -18.532 1.00 0.00 H new ATOM 82 N ALA A 363 -10.963 -20.152 -16.537 1.00 0.00 N ATOM 83 CA ALA A 363 -11.310 -19.201 -15.488 1.00 0.00 C ATOM 84 C ALA A 363 -10.295 -18.066 -15.418 1.00 0.00 C ATOM 85 O ALA A 363 -9.090 -18.302 -15.322 1.00 0.00 O ATOM 86 CB ALA A 363 -11.407 -19.909 -14.145 1.00 0.00 C ATOM 0 H ALA A 363 -10.091 -20.657 -16.377 1.00 0.00 H new ATOM 0 HA ALA A 363 -12.281 -18.770 -15.730 1.00 0.00 H new ATOM 0 HB1 ALA A 363 -11.667 -19.187 -13.371 1.00 0.00 H new ATOM 0 HB2 ALA A 363 -12.176 -20.680 -14.195 1.00 0.00 H new ATOM 0 HB3 ALA A 363 -10.448 -20.368 -13.906 1.00 0.00 H new ATOM 92 N CYS A 364 -10.788 -16.833 -15.467 1.00 0.00 N ATOM 93 CA CYS A 364 -9.924 -15.660 -15.410 1.00 0.00 C ATOM 94 C CYS A 364 -9.122 -15.637 -14.112 1.00 0.00 C ATOM 95 O CYS A 364 -9.666 -15.867 -13.032 1.00 0.00 O ATOM 96 CB CYS A 364 -10.755 -14.381 -15.532 1.00 0.00 C ATOM 97 SG CYS A 364 -9.820 -12.942 -16.142 1.00 0.00 S ATOM 0 H CYS A 364 -11.782 -16.620 -15.546 1.00 0.00 H new ATOM 0 HA CYS A 364 -9.227 -15.713 -16.246 1.00 0.00 H new ATOM 0 HB2 CYS A 364 -11.593 -14.568 -16.204 1.00 0.00 H new ATOM 0 HB3 CYS A 364 -11.176 -14.140 -14.556 1.00 0.00 H new ATOM 0 HG CYS A 364 -10.367 -11.849 -15.699 1.00 0.00 H new ATOM 102 N GLU A 365 -7.828 -15.357 -14.227 1.00 0.00 N ATOM 103 CA GLU A 365 -6.952 -15.305 -13.062 1.00 0.00 C ATOM 104 C GLU A 365 -6.747 -13.865 -12.600 1.00 0.00 C ATOM 105 O GLU A 365 -5.688 -13.514 -12.078 1.00 0.00 O ATOM 106 CB GLU A 365 -5.601 -15.946 -13.383 1.00 0.00 C ATOM 107 CG GLU A 365 -4.797 -15.184 -14.423 1.00 0.00 C ATOM 108 CD GLU A 365 -4.033 -16.103 -15.357 1.00 0.00 C ATOM 109 OE1 GLU A 365 -3.133 -16.822 -14.877 1.00 0.00 O ATOM 110 OE2 GLU A 365 -4.336 -16.101 -16.569 1.00 0.00 O ATOM 0 H GLU A 365 -7.363 -15.163 -15.114 1.00 0.00 H new ATOM 0 HA GLU A 365 -7.428 -15.863 -12.256 1.00 0.00 H new ATOM 0 HB2 GLU A 365 -5.016 -16.019 -12.466 1.00 0.00 H new ATOM 0 HB3 GLU A 365 -5.766 -16.963 -13.738 1.00 0.00 H new ATOM 0 HG2 GLU A 365 -5.469 -14.555 -15.007 1.00 0.00 H new ATOM 0 HG3 GLU A 365 -4.095 -14.519 -13.919 1.00 0.00 H new ATOM 117 N ILE A 366 -7.767 -13.036 -12.796 1.00 0.00 N ATOM 118 CA ILE A 366 -7.700 -11.635 -12.399 1.00 0.00 C ATOM 119 C ILE A 366 -8.968 -11.209 -11.668 1.00 0.00 C ATOM 120 O ILE A 366 -8.908 -10.549 -10.630 1.00 0.00 O ATOM 121 CB ILE A 366 -7.488 -10.715 -13.616 1.00 0.00 C ATOM 122 CG1 ILE A 366 -6.257 -11.158 -14.410 1.00 0.00 C ATOM 123 CG2 ILE A 366 -7.343 -9.269 -13.167 1.00 0.00 C ATOM 124 CD1 ILE A 366 -6.595 -11.833 -15.720 1.00 0.00 C ATOM 0 H ILE A 366 -8.650 -13.310 -13.227 1.00 0.00 H new ATOM 0 HA ILE A 366 -6.847 -11.538 -11.727 1.00 0.00 H new ATOM 0 HB ILE A 366 -8.361 -10.788 -14.265 1.00 0.00 H new ATOM 0 HG12 ILE A 366 -5.631 -10.288 -14.609 1.00 0.00 H new ATOM 0 HG13 ILE A 366 -5.667 -11.842 -13.799 1.00 0.00 H new ATOM 0 HG21 ILE A 366 -7.194 -8.631 -14.038 1.00 0.00 H new ATOM 0 HG22 ILE A 366 -8.246 -8.959 -12.641 1.00 0.00 H new ATOM 0 HG23 ILE A 366 -6.485 -9.179 -12.500 1.00 0.00 H new ATOM 0 HD11 ILE A 366 -5.675 -12.120 -16.229 1.00 0.00 H new ATOM 0 HD12 ILE A 366 -7.196 -12.722 -15.527 1.00 0.00 H new ATOM 0 HD13 ILE A 366 -7.158 -11.144 -16.350 1.00 0.00 H new ATOM 136 N CYS A 367 -10.117 -11.592 -12.215 1.00 0.00 N ATOM 137 CA CYS A 367 -11.401 -11.252 -11.615 1.00 0.00 C ATOM 138 C CYS A 367 -12.120 -12.504 -11.122 1.00 0.00 C ATOM 139 O CYS A 367 -12.823 -12.472 -10.113 1.00 0.00 O ATOM 140 CB CYS A 367 -12.279 -10.511 -12.626 1.00 0.00 C ATOM 141 SG CYS A 367 -12.523 -11.405 -14.194 1.00 0.00 S ATOM 0 H CYS A 367 -10.185 -12.139 -13.074 1.00 0.00 H new ATOM 0 HA CYS A 367 -11.214 -10.602 -10.760 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -13.252 -10.319 -12.174 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -11.830 -9.541 -12.839 1.00 0.00 H new ATOM 0 HG CYS A 367 -12.243 -10.618 -15.190 1.00 0.00 H new ATOM 146 N GLY A 368 -11.938 -13.607 -11.842 1.00 0.00 N ATOM 147 CA GLY A 368 -12.575 -14.855 -11.462 1.00 0.00 C ATOM 148 C GLY A 368 -13.787 -15.170 -12.315 1.00 0.00 C ATOM 149 O GLY A 368 -14.713 -15.846 -11.867 1.00 0.00 O ATOM 0 H GLY A 368 -11.361 -13.659 -12.681 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -11.854 -15.668 -11.547 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -12.875 -14.802 -10.415 1.00 0.00 H new ATOM 153 N LYS A 369 -13.785 -14.677 -13.549 1.00 0.00 N ATOM 154 CA LYS A 369 -14.892 -14.908 -14.468 1.00 0.00 C ATOM 155 C LYS A 369 -14.595 -16.083 -15.394 1.00 0.00 C ATOM 156 O LYS A 369 -13.501 -16.185 -15.951 1.00 0.00 O ATOM 157 CB LYS A 369 -15.167 -13.650 -15.295 1.00 0.00 C ATOM 158 CG LYS A 369 -15.811 -12.528 -14.500 1.00 0.00 C ATOM 159 CD LYS A 369 -16.068 -11.306 -15.366 1.00 0.00 C ATOM 160 CE LYS A 369 -17.267 -10.513 -14.869 1.00 0.00 C ATOM 161 NZ LYS A 369 -16.868 -9.454 -13.901 1.00 0.00 N ATOM 0 H LYS A 369 -13.027 -14.114 -13.936 1.00 0.00 H new ATOM 0 HA LYS A 369 -15.777 -15.148 -13.878 1.00 0.00 H new ATOM 0 HB2 LYS A 369 -14.229 -13.292 -15.719 1.00 0.00 H new ATOM 0 HB3 LYS A 369 -15.816 -13.910 -16.131 1.00 0.00 H new ATOM 0 HG2 LYS A 369 -16.751 -12.877 -14.073 1.00 0.00 H new ATOM 0 HG3 LYS A 369 -15.165 -12.254 -13.666 1.00 0.00 H new ATOM 0 HD2 LYS A 369 -15.184 -10.668 -15.368 1.00 0.00 H new ATOM 0 HD3 LYS A 369 -16.239 -11.618 -16.396 1.00 0.00 H new ATOM 0 HE2 LYS A 369 -17.777 -10.056 -15.717 1.00 0.00 H new ATOM 0 HE3 LYS A 369 -17.979 -11.189 -14.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 -17.713 -8.936 -13.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 -16.403 -9.891 -13.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 -16.209 -8.794 -14.361 1.00 0.00 H new ATOM 175 N ILE A 370 -15.574 -16.967 -15.556 1.00 0.00 N ATOM 176 CA ILE A 370 -15.417 -18.132 -16.416 1.00 0.00 C ATOM 177 C ILE A 370 -15.792 -17.806 -17.858 1.00 0.00 C ATOM 178 O ILE A 370 -16.678 -16.989 -18.110 1.00 0.00 O ATOM 179 CB ILE A 370 -16.277 -19.313 -15.928 1.00 0.00 C ATOM 180 CG1 ILE A 370 -16.059 -19.547 -14.432 1.00 0.00 C ATOM 181 CG2 ILE A 370 -15.949 -20.570 -16.720 1.00 0.00 C ATOM 182 CD1 ILE A 370 -14.627 -19.881 -14.075 1.00 0.00 C ATOM 0 H ILE A 370 -16.485 -16.898 -15.102 1.00 0.00 H new ATOM 0 HA ILE A 370 -14.366 -18.417 -16.372 1.00 0.00 H new ATOM 0 HB ILE A 370 -17.327 -19.070 -16.089 1.00 0.00 H new ATOM 0 HG12 ILE A 370 -16.363 -18.655 -13.885 1.00 0.00 H new ATOM 0 HG13 ILE A 370 -16.706 -20.359 -14.101 1.00 0.00 H new ATOM 0 HG21 ILE A 370 -16.565 -21.396 -16.363 1.00 0.00 H new ATOM 0 HG22 ILE A 370 -16.151 -20.397 -17.777 1.00 0.00 H new ATOM 0 HG23 ILE A 370 -14.896 -20.819 -16.588 1.00 0.00 H new ATOM 0 HD11 ILE A 370 -14.547 -20.034 -12.999 1.00 0.00 H new ATOM 0 HD12 ILE A 370 -14.325 -20.791 -14.594 1.00 0.00 H new ATOM 0 HD13 ILE A 370 -13.976 -19.059 -14.374 1.00 0.00 H new ATOM 194 N PHE A 371 -15.115 -18.452 -18.801 1.00 0.00 N ATOM 195 CA PHE A 371 -15.377 -18.231 -20.218 1.00 0.00 C ATOM 196 C PHE A 371 -15.530 -19.558 -20.956 1.00 0.00 C ATOM 197 O PHE A 371 -14.702 -20.458 -20.813 1.00 0.00 O ATOM 198 CB PHE A 371 -14.248 -17.412 -20.847 1.00 0.00 C ATOM 199 CG PHE A 371 -14.141 -16.018 -20.297 1.00 0.00 C ATOM 200 CD1 PHE A 371 -13.627 -15.797 -19.030 1.00 0.00 C ATOM 201 CD2 PHE A 371 -14.555 -14.930 -21.048 1.00 0.00 C ATOM 202 CE1 PHE A 371 -13.528 -14.515 -18.521 1.00 0.00 C ATOM 203 CE2 PHE A 371 -14.458 -13.646 -20.545 1.00 0.00 C ATOM 204 CZ PHE A 371 -13.943 -13.438 -19.280 1.00 0.00 C ATOM 0 H PHE A 371 -14.380 -19.133 -18.609 1.00 0.00 H new ATOM 0 HA PHE A 371 -16.311 -17.676 -20.306 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -13.302 -17.930 -20.689 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -14.406 -17.358 -21.924 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -13.300 -16.635 -18.433 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -14.958 -15.087 -22.038 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -13.127 -14.356 -17.531 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -14.785 -12.806 -21.140 1.00 0.00 H new ATOM 0 HZ PHE A 371 -13.865 -12.436 -18.885 1.00 0.00 H new ATOM 214 N ARG A 372 -16.594 -19.671 -21.744 1.00 0.00 N ATOM 215 CA ARG A 372 -16.856 -20.888 -22.504 1.00 0.00 C ATOM 216 C ARG A 372 -15.706 -21.191 -23.459 1.00 0.00 C ATOM 217 O ARG A 372 -15.405 -22.353 -23.735 1.00 0.00 O ATOM 218 CB ARG A 372 -18.163 -20.753 -23.288 1.00 0.00 C ATOM 219 CG ARG A 372 -18.095 -19.735 -24.414 1.00 0.00 C ATOM 220 CD ARG A 372 -19.398 -18.962 -24.545 1.00 0.00 C ATOM 221 NE ARG A 372 -19.931 -19.014 -25.904 1.00 0.00 N ATOM 222 CZ ARG A 372 -21.026 -18.368 -26.290 1.00 0.00 C ATOM 223 NH1 ARG A 372 -21.701 -17.625 -25.423 1.00 0.00 N ATOM 224 NH2 ARG A 372 -21.448 -18.465 -27.544 1.00 0.00 N ATOM 0 H ARG A 372 -17.288 -18.935 -21.873 1.00 0.00 H new ATOM 0 HA ARG A 372 -16.947 -21.714 -21.799 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -18.430 -21.725 -23.704 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -18.961 -20.470 -22.602 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -17.276 -19.040 -24.229 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -17.876 -20.243 -25.353 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -20.133 -19.370 -23.851 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -19.233 -17.923 -24.260 1.00 0.00 H new ATOM 0 HE ARG A 372 -19.435 -19.577 -26.595 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -21.380 -17.549 -24.458 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -22.541 -17.130 -25.721 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -20.932 -19.036 -28.213 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -22.289 -17.969 -27.839 1.00 0.00 H new ATOM 238 N ASP A 373 -15.068 -20.140 -23.961 1.00 0.00 N ATOM 239 CA ASP A 373 -13.951 -20.294 -24.886 1.00 0.00 C ATOM 240 C ASP A 373 -12.799 -19.369 -24.505 1.00 0.00 C ATOM 241 O ASP A 373 -12.943 -18.505 -23.639 1.00 0.00 O ATOM 242 CB ASP A 373 -14.402 -20.003 -26.318 1.00 0.00 C ATOM 243 CG ASP A 373 -14.501 -21.260 -27.160 1.00 0.00 C ATOM 244 OD1 ASP A 373 -13.446 -21.771 -27.588 1.00 0.00 O ATOM 245 OD2 ASP A 373 -15.635 -21.731 -27.391 1.00 0.00 O ATOM 0 H ASP A 373 -15.305 -19.172 -23.743 1.00 0.00 H new ATOM 0 HA ASP A 373 -13.602 -21.325 -24.826 1.00 0.00 H new ATOM 0 HB2 ASP A 373 -15.372 -19.506 -26.297 1.00 0.00 H new ATOM 0 HB3 ASP A 373 -13.700 -19.311 -26.784 1.00 0.00 H new ATOM 250 N VAL A 374 -11.655 -19.556 -25.156 1.00 0.00 N ATOM 251 CA VAL A 374 -10.479 -18.739 -24.885 1.00 0.00 C ATOM 252 C VAL A 374 -10.466 -17.489 -25.758 1.00 0.00 C ATOM 253 O VAL A 374 -9.911 -16.458 -25.376 1.00 0.00 O ATOM 254 CB VAL A 374 -9.179 -19.531 -25.122 1.00 0.00 C ATOM 255 CG1 VAL A 374 -7.964 -18.664 -24.829 1.00 0.00 C ATOM 256 CG2 VAL A 374 -9.161 -20.792 -24.272 1.00 0.00 C ATOM 0 H VAL A 374 -11.518 -20.267 -25.875 1.00 0.00 H new ATOM 0 HA VAL A 374 -10.531 -18.446 -23.836 1.00 0.00 H new ATOM 0 HB VAL A 374 -9.141 -19.826 -26.171 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -7.055 -19.241 -25.002 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -7.972 -17.793 -25.485 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -7.993 -18.336 -23.790 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.236 -21.339 -24.452 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -9.223 -20.521 -23.218 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.011 -21.421 -24.536 1.00 0.00 H new ATOM 266 N TYR A 375 -11.080 -17.587 -26.932 1.00 0.00 N ATOM 267 CA TYR A 375 -11.137 -16.465 -27.860 1.00 0.00 C ATOM 268 C TYR A 375 -11.732 -15.231 -27.188 1.00 0.00 C ATOM 269 O TYR A 375 -11.205 -14.125 -27.315 1.00 0.00 O ATOM 270 CB TYR A 375 -11.965 -16.836 -29.092 1.00 0.00 C ATOM 271 CG TYR A 375 -11.162 -17.515 -30.179 1.00 0.00 C ATOM 272 CD1 TYR A 375 -10.331 -18.590 -29.887 1.00 0.00 C ATOM 273 CD2 TYR A 375 -11.233 -17.080 -31.496 1.00 0.00 C ATOM 274 CE1 TYR A 375 -9.595 -19.212 -30.877 1.00 0.00 C ATOM 275 CE2 TYR A 375 -10.502 -17.697 -32.493 1.00 0.00 C ATOM 276 CZ TYR A 375 -9.684 -18.763 -32.178 1.00 0.00 C ATOM 277 OH TYR A 375 -8.953 -19.380 -33.167 1.00 0.00 O ATOM 0 H TYR A 375 -11.545 -18.432 -27.263 1.00 0.00 H new ATOM 0 HA TYR A 375 -10.118 -16.232 -28.171 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -12.779 -17.494 -28.788 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -12.421 -15.933 -29.499 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -10.259 -18.945 -28.870 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -11.871 -16.245 -31.745 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -8.953 -20.046 -30.633 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -10.570 -17.347 -33.513 1.00 0.00 H new ATOM 0 HH TYR A 375 -9.130 -18.943 -34.026 1.00 0.00 H new ATOM 287 N HIS A 376 -12.833 -15.429 -26.470 1.00 0.00 N ATOM 288 CA HIS A 376 -13.501 -14.334 -25.776 1.00 0.00 C ATOM 289 C HIS A 376 -12.628 -13.795 -24.646 1.00 0.00 C ATOM 290 O HIS A 376 -12.466 -12.583 -24.496 1.00 0.00 O ATOM 291 CB HIS A 376 -14.846 -14.800 -25.218 1.00 0.00 C ATOM 292 CG HIS A 376 -16.014 -14.025 -25.746 1.00 0.00 C ATOM 293 ND1 HIS A 376 -16.166 -13.708 -27.080 1.00 0.00 N ATOM 294 CD2 HIS A 376 -17.090 -13.503 -25.112 1.00 0.00 C ATOM 295 CE1 HIS A 376 -17.284 -13.024 -27.243 1.00 0.00 C ATOM 296 NE2 HIS A 376 -17.864 -12.887 -26.064 1.00 0.00 N ATOM 0 H HIS A 376 -13.281 -16.338 -26.354 1.00 0.00 H new ATOM 0 HA HIS A 376 -13.673 -13.532 -26.494 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -14.983 -15.855 -25.456 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -14.827 -14.718 -24.131 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -17.300 -13.560 -24.054 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -17.660 -12.642 -28.181 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -18.744 -12.402 -25.889 1.00 0.00 H new ATOM 304 N LEU A 377 -12.069 -14.703 -23.853 1.00 0.00 N ATOM 305 CA LEU A 377 -11.212 -14.319 -22.736 1.00 0.00 C ATOM 306 C LEU A 377 -10.110 -13.370 -23.196 1.00 0.00 C ATOM 307 O LEU A 377 -9.651 -12.521 -22.434 1.00 0.00 O ATOM 308 CB LEU A 377 -10.596 -15.561 -22.090 1.00 0.00 C ATOM 309 CG LEU A 377 -9.672 -15.309 -20.898 1.00 0.00 C ATOM 310 CD1 LEU A 377 -10.482 -14.968 -19.657 1.00 0.00 C ATOM 311 CD2 LEU A 377 -8.788 -16.521 -20.643 1.00 0.00 C ATOM 0 H LEU A 377 -12.194 -15.709 -23.963 1.00 0.00 H new ATOM 0 HA LEU A 377 -11.827 -13.801 -21.999 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -11.404 -16.216 -21.765 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -10.034 -16.102 -22.852 1.00 0.00 H new ATOM 0 HG LEU A 377 -9.031 -14.459 -21.133 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -9.807 -14.792 -18.819 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -11.072 -14.070 -19.843 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -11.148 -15.797 -19.418 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -8.137 -16.324 -19.791 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -9.413 -17.388 -20.429 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -8.180 -16.720 -21.526 1.00 0.00 H new ATOM 323 N ASN A 378 -9.691 -13.521 -24.448 1.00 0.00 N ATOM 324 CA ASN A 378 -8.643 -12.676 -25.010 1.00 0.00 C ATOM 325 C ASN A 378 -9.042 -11.205 -24.955 1.00 0.00 C ATOM 326 O ASN A 378 -8.306 -10.371 -24.429 1.00 0.00 O ATOM 327 CB ASN A 378 -8.352 -13.084 -26.456 1.00 0.00 C ATOM 328 CG ASN A 378 -6.866 -13.178 -26.742 1.00 0.00 C ATOM 329 OD1 ASN A 378 -6.347 -14.254 -27.040 1.00 0.00 O ATOM 330 ND2 ASN A 378 -6.173 -12.048 -26.652 1.00 0.00 N ATOM 0 H ASN A 378 -10.061 -14.220 -25.092 1.00 0.00 H new ATOM 0 HA ASN A 378 -7.742 -12.811 -24.412 1.00 0.00 H new ATOM 0 HB2 ASN A 378 -8.820 -14.047 -26.660 1.00 0.00 H new ATOM 0 HB3 ASN A 378 -8.804 -12.360 -27.133 1.00 0.00 H new ATOM 0 HD21 ASN A 378 -5.169 -12.050 -26.833 1.00 0.00 H new ATOM 0 HD22 ASN A 378 -6.645 -11.179 -26.402 1.00 0.00 H new ATOM 337 N ARG A 379 -10.213 -10.894 -25.502 1.00 0.00 N ATOM 338 CA ARG A 379 -10.710 -9.524 -25.516 1.00 0.00 C ATOM 339 C ARG A 379 -10.915 -9.005 -24.096 1.00 0.00 C ATOM 340 O ARG A 379 -10.759 -7.813 -23.830 1.00 0.00 O ATOM 341 CB ARG A 379 -12.025 -9.443 -26.294 1.00 0.00 C ATOM 342 CG ARG A 379 -11.971 -10.121 -27.653 1.00 0.00 C ATOM 343 CD ARG A 379 -12.960 -9.499 -28.626 1.00 0.00 C ATOM 344 NE ARG A 379 -12.621 -9.795 -30.016 1.00 0.00 N ATOM 345 CZ ARG A 379 -11.640 -9.192 -30.677 1.00 0.00 C ATOM 346 NH1 ARG A 379 -10.904 -8.265 -30.078 1.00 0.00 N ATOM 347 NH2 ARG A 379 -11.392 -9.515 -31.940 1.00 0.00 N ATOM 0 H ARG A 379 -10.835 -11.573 -25.941 1.00 0.00 H new ATOM 0 HA ARG A 379 -9.965 -8.900 -26.009 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -12.817 -9.900 -25.701 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -12.293 -8.395 -26.430 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -10.962 -10.044 -28.059 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -12.189 -11.183 -27.540 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -13.962 -9.870 -28.411 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -12.981 -8.419 -28.480 1.00 0.00 H new ATOM 0 HE ARG A 379 -13.168 -10.504 -30.505 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -11.091 -8.014 -29.107 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -10.151 -7.803 -30.588 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -11.955 -10.227 -32.404 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -10.638 -9.051 -32.446 1.00 0.00 H new ATOM 361 N HIS A 380 -11.266 -9.909 -23.186 1.00 0.00 N ATOM 362 CA HIS A 380 -11.492 -9.543 -21.793 1.00 0.00 C ATOM 363 C HIS A 380 -10.178 -9.182 -21.106 1.00 0.00 C ATOM 364 O HIS A 380 -10.060 -8.127 -20.483 1.00 0.00 O ATOM 365 CB HIS A 380 -12.173 -10.690 -21.046 1.00 0.00 C ATOM 366 CG HIS A 380 -12.306 -10.451 -19.573 1.00 0.00 C ATOM 367 ND1 HIS A 380 -13.364 -9.765 -19.015 1.00 0.00 N ATOM 368 CD2 HIS A 380 -11.507 -10.813 -18.542 1.00 0.00 C ATOM 369 CE1 HIS A 380 -13.209 -9.714 -17.704 1.00 0.00 C ATOM 370 NE2 HIS A 380 -12.090 -10.343 -17.391 1.00 0.00 N ATOM 0 H HIS A 380 -11.400 -10.900 -23.389 1.00 0.00 H new ATOM 0 HA HIS A 380 -12.144 -8.670 -21.774 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -13.164 -10.851 -21.470 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -11.604 -11.606 -21.207 1.00 0.00 H new ATOM 0 HD1 HIS A 380 -14.144 -9.360 -19.533 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -10.583 -11.368 -18.612 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -13.883 -9.239 -17.006 1.00 0.00 H new ATOM 378 N LYS A 381 -9.193 -10.066 -21.223 1.00 0.00 N ATOM 379 CA LYS A 381 -7.887 -9.842 -20.614 1.00 0.00 C ATOM 380 C LYS A 381 -7.329 -8.479 -21.011 1.00 0.00 C ATOM 381 O LYS A 381 -6.598 -7.849 -20.245 1.00 0.00 O ATOM 382 CB LYS A 381 -6.911 -10.945 -21.030 1.00 0.00 C ATOM 383 CG LYS A 381 -7.285 -12.319 -20.500 1.00 0.00 C ATOM 384 CD LYS A 381 -6.653 -13.426 -21.327 1.00 0.00 C ATOM 385 CE LYS A 381 -6.197 -14.584 -20.453 1.00 0.00 C ATOM 386 NZ LYS A 381 -4.738 -14.518 -20.162 1.00 0.00 N ATOM 0 H LYS A 381 -9.274 -10.945 -21.734 1.00 0.00 H new ATOM 0 HA LYS A 381 -8.010 -9.864 -19.531 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -6.863 -10.985 -22.118 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -5.913 -10.688 -20.676 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -6.963 -12.410 -19.462 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -8.369 -12.431 -20.509 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -7.371 -13.786 -22.064 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -5.801 -13.028 -21.879 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -6.755 -14.574 -19.517 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -6.426 -15.527 -20.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -4.466 -15.324 -19.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -4.204 -14.553 -21.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -4.523 -13.630 -19.665 1.00 0.00 H new ATOM 400 N LEU A 382 -7.678 -8.028 -22.211 1.00 0.00 N ATOM 401 CA LEU A 382 -7.213 -6.738 -22.708 1.00 0.00 C ATOM 402 C LEU A 382 -7.909 -5.591 -21.983 1.00 0.00 C ATOM 403 O LEU A 382 -7.293 -4.569 -21.682 1.00 0.00 O ATOM 404 CB LEU A 382 -7.461 -6.630 -24.214 1.00 0.00 C ATOM 405 CG LEU A 382 -6.421 -7.295 -25.116 1.00 0.00 C ATOM 406 CD1 LEU A 382 -7.077 -7.844 -26.373 1.00 0.00 C ATOM 407 CD2 LEU A 382 -5.318 -6.309 -25.474 1.00 0.00 C ATOM 0 H LEU A 382 -8.281 -8.536 -22.858 1.00 0.00 H new ATOM 0 HA LEU A 382 -6.142 -6.667 -22.516 1.00 0.00 H new ATOM 0 HB2 LEU A 382 -8.435 -7.067 -24.434 1.00 0.00 H new ATOM 0 HB3 LEU A 382 -7.519 -5.574 -24.477 1.00 0.00 H new ATOM 0 HG LEU A 382 -5.975 -8.127 -24.572 1.00 0.00 H new ATOM 0 HD11 LEU A 382 -6.321 -8.313 -27.003 1.00 0.00 H new ATOM 0 HD12 LEU A 382 -7.830 -8.583 -26.098 1.00 0.00 H new ATOM 0 HD13 LEU A 382 -7.551 -7.030 -26.921 1.00 0.00 H new ATOM 0 HD21 LEU A 382 -4.586 -6.799 -26.116 1.00 0.00 H new ATOM 0 HD22 LEU A 382 -5.749 -5.456 -25.999 1.00 0.00 H new ATOM 0 HD23 LEU A 382 -4.828 -5.965 -24.563 1.00 0.00 H new ATOM 480 N LYS A 388 -0.670 2.647 -13.296 1.00 0.00 N ATOM 481 CA LYS A 388 -0.944 3.655 -12.278 1.00 0.00 C ATOM 482 C LYS A 388 -1.159 3.006 -10.914 1.00 0.00 C ATOM 483 O LYS A 388 -1.538 1.839 -10.808 1.00 0.00 O ATOM 484 CB LYS A 388 -2.175 4.478 -12.663 1.00 0.00 C ATOM 485 CG LYS A 388 -2.317 4.696 -14.159 1.00 0.00 C ATOM 486 CD LYS A 388 -2.866 6.078 -14.472 1.00 0.00 C ATOM 487 CE LYS A 388 -2.363 6.587 -15.814 1.00 0.00 C ATOM 488 NZ LYS A 388 -2.286 8.074 -15.851 1.00 0.00 N ATOM 0 HA LYS A 388 -0.079 4.315 -12.215 1.00 0.00 H new ATOM 0 HB2 LYS A 388 -3.068 3.976 -12.291 1.00 0.00 H new ATOM 0 HB3 LYS A 388 -2.124 5.447 -12.166 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -1.346 4.572 -14.639 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -2.979 3.937 -14.577 1.00 0.00 H new ATOM 0 HD2 LYS A 388 -3.955 6.045 -14.480 1.00 0.00 H new ATOM 0 HD3 LYS A 388 -2.574 6.773 -13.685 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -1.377 6.167 -16.015 1.00 0.00 H new ATOM 0 HE3 LYS A 388 -3.026 6.238 -16.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 -1.939 8.381 -16.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -3.231 8.475 -15.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 -1.634 8.406 -15.112 1.00 0.00 H new ATOM 502 N PRO A 389 -0.914 3.778 -9.845 1.00 0.00 N ATOM 503 CA PRO A 389 -0.462 5.168 -9.959 1.00 0.00 C ATOM 504 C PRO A 389 0.965 5.272 -10.484 1.00 0.00 C ATOM 505 O PRO A 389 1.248 6.056 -11.391 1.00 0.00 O ATOM 506 CB PRO A 389 -0.543 5.686 -8.521 1.00 0.00 C ATOM 507 CG PRO A 389 -0.409 4.470 -7.672 1.00 0.00 C ATOM 508 CD PRO A 389 -1.059 3.354 -8.443 1.00 0.00 C ATOM 0 HA PRO A 389 -1.066 5.737 -10.666 1.00 0.00 H new ATOM 0 HB2 PRO A 389 0.251 6.403 -8.313 1.00 0.00 H new ATOM 0 HB3 PRO A 389 -1.489 6.195 -8.336 1.00 0.00 H new ATOM 0 HG2 PRO A 389 0.639 4.247 -7.472 1.00 0.00 H new ATOM 0 HG3 PRO A 389 -0.895 4.612 -6.707 1.00 0.00 H new ATOM 0 HD2 PRO A 389 -0.567 2.399 -8.259 1.00 0.00 H new ATOM 0 HD3 PRO A 389 -2.106 3.231 -8.167 1.00 0.00 H new ATOM 516 N TYR A 390 1.862 4.478 -9.909 1.00 0.00 N ATOM 517 CA TYR A 390 3.261 4.483 -10.318 1.00 0.00 C ATOM 518 C TYR A 390 3.672 3.121 -10.869 1.00 0.00 C ATOM 519 O TYR A 390 3.984 2.201 -10.113 1.00 0.00 O ATOM 520 CB TYR A 390 4.158 4.860 -9.138 1.00 0.00 C ATOM 521 CG TYR A 390 3.660 6.055 -8.357 1.00 0.00 C ATOM 522 CD1 TYR A 390 4.009 7.347 -8.728 1.00 0.00 C ATOM 523 CD2 TYR A 390 2.840 5.891 -7.247 1.00 0.00 C ATOM 524 CE1 TYR A 390 3.556 8.442 -8.017 1.00 0.00 C ATOM 525 CE2 TYR A 390 2.382 6.980 -6.531 1.00 0.00 C ATOM 526 CZ TYR A 390 2.743 8.253 -6.919 1.00 0.00 C ATOM 527 OH TYR A 390 2.290 9.341 -6.209 1.00 0.00 O ATOM 0 H TYR A 390 1.645 3.823 -9.158 1.00 0.00 H new ATOM 0 HA TYR A 390 3.380 5.225 -11.107 1.00 0.00 H new ATOM 0 HB2 TYR A 390 4.239 4.005 -8.466 1.00 0.00 H new ATOM 0 HB3 TYR A 390 5.161 5.071 -9.508 1.00 0.00 H new ATOM 0 HD1 TYR A 390 4.646 7.499 -9.587 1.00 0.00 H new ATOM 0 HD2 TYR A 390 2.556 4.896 -6.939 1.00 0.00 H new ATOM 0 HE1 TYR A 390 3.837 9.440 -8.319 1.00 0.00 H new ATOM 0 HE2 TYR A 390 1.744 6.835 -5.672 1.00 0.00 H new ATOM 0 HH TYR A 390 1.728 9.036 -5.466 1.00 0.00 H new ATOM 537 N SER A 391 3.671 3.000 -12.193 1.00 0.00 N ATOM 538 CA SER A 391 4.041 1.751 -12.847 1.00 0.00 C ATOM 539 C SER A 391 5.358 1.902 -13.602 1.00 0.00 C ATOM 540 O SER A 391 5.759 3.009 -13.960 1.00 0.00 O ATOM 541 CB SER A 391 2.937 1.308 -13.809 1.00 0.00 C ATOM 542 OG SER A 391 2.173 2.416 -14.254 1.00 0.00 O ATOM 0 H SER A 391 3.418 3.752 -12.834 1.00 0.00 H new ATOM 0 HA SER A 391 4.169 0.991 -12.077 1.00 0.00 H new ATOM 0 HB2 SER A 391 3.379 0.800 -14.666 1.00 0.00 H new ATOM 0 HB3 SER A 391 2.285 0.589 -13.313 1.00 0.00 H new ATOM 0 HG SER A 391 1.268 2.359 -13.883 1.00 0.00 H new ATOM 548 N CYS A 392 6.029 0.779 -13.839 1.00 0.00 N ATOM 549 CA CYS A 392 7.301 0.784 -14.550 1.00 0.00 C ATOM 550 C CYS A 392 7.081 0.824 -16.059 1.00 0.00 C ATOM 551 O CYS A 392 6.325 0.032 -16.623 1.00 0.00 O ATOM 552 CB CYS A 392 8.123 -0.452 -14.176 1.00 0.00 C ATOM 553 SG CYS A 392 9.873 -0.360 -14.674 1.00 0.00 S ATOM 0 H CYS A 392 5.712 -0.146 -13.549 1.00 0.00 H new ATOM 0 HA CYS A 392 7.849 1.679 -14.257 1.00 0.00 H new ATOM 0 HB2 CYS A 392 8.071 -0.597 -13.097 1.00 0.00 H new ATOM 0 HB3 CYS A 392 7.671 -1.329 -14.638 1.00 0.00 H new ATOM 0 HG CYS A 392 10.336 -1.561 -14.855 1.00 0.00 H new ATOM 558 N PRO A 393 7.757 1.768 -16.731 1.00 0.00 N ATOM 559 CA PRO A 393 7.652 1.934 -18.184 1.00 0.00 C ATOM 560 C PRO A 393 8.304 0.786 -18.947 1.00 0.00 C ATOM 561 O PRO A 393 8.073 0.613 -20.144 1.00 0.00 O ATOM 562 CB PRO A 393 8.401 3.244 -18.446 1.00 0.00 C ATOM 563 CG PRO A 393 9.359 3.366 -17.311 1.00 0.00 C ATOM 564 CD PRO A 393 8.676 2.746 -16.124 1.00 0.00 C ATOM 0 HA PRO A 393 6.615 1.945 -18.519 1.00 0.00 H new ATOM 0 HB2 PRO A 393 8.922 3.217 -19.403 1.00 0.00 H new ATOM 0 HB3 PRO A 393 7.717 4.092 -18.479 1.00 0.00 H new ATOM 0 HG2 PRO A 393 10.295 2.854 -17.534 1.00 0.00 H new ATOM 0 HG3 PRO A 393 9.605 4.410 -17.118 1.00 0.00 H new ATOM 0 HD2 PRO A 393 9.390 2.265 -15.455 1.00 0.00 H new ATOM 0 HD3 PRO A 393 8.139 3.490 -15.535 1.00 0.00 H new ATOM 572 N VAL A 394 9.119 0.004 -18.247 1.00 0.00 N ATOM 573 CA VAL A 394 9.803 -1.130 -18.859 1.00 0.00 C ATOM 574 C VAL A 394 9.061 -2.433 -18.584 1.00 0.00 C ATOM 575 O VAL A 394 8.537 -3.067 -19.501 1.00 0.00 O ATOM 576 CB VAL A 394 11.249 -1.257 -18.344 1.00 0.00 C ATOM 577 CG1 VAL A 394 11.964 -2.406 -19.038 1.00 0.00 C ATOM 578 CG2 VAL A 394 12.002 0.050 -18.544 1.00 0.00 C ATOM 0 H VAL A 394 9.322 0.134 -17.256 1.00 0.00 H new ATOM 0 HA VAL A 394 9.822 -0.946 -19.933 1.00 0.00 H new ATOM 0 HB VAL A 394 11.219 -1.472 -17.276 1.00 0.00 H new ATOM 0 HG11 VAL A 394 12.984 -2.480 -18.661 1.00 0.00 H new ATOM 0 HG12 VAL A 394 11.435 -3.338 -18.838 1.00 0.00 H new ATOM 0 HG13 VAL A 394 11.986 -2.225 -20.113 1.00 0.00 H new ATOM 0 HG21 VAL A 394 13.022 -0.057 -18.175 1.00 0.00 H new ATOM 0 HG22 VAL A 394 12.025 0.298 -19.605 1.00 0.00 H new ATOM 0 HG23 VAL A 394 11.500 0.847 -17.996 1.00 0.00 H new ATOM 588 N CYS A 395 9.019 -2.827 -17.316 1.00 0.00 N ATOM 589 CA CYS A 395 8.341 -4.056 -16.919 1.00 0.00 C ATOM 590 C CYS A 395 6.838 -3.949 -17.160 1.00 0.00 C ATOM 591 O CYS A 395 6.292 -4.610 -18.042 1.00 0.00 O ATOM 592 CB CYS A 395 8.612 -4.359 -15.444 1.00 0.00 C ATOM 593 SG CYS A 395 10.372 -4.277 -14.980 1.00 0.00 S ATOM 0 H CYS A 395 9.446 -2.313 -16.545 1.00 0.00 H new ATOM 0 HA CYS A 395 8.732 -4.871 -17.528 1.00 0.00 H new ATOM 0 HB2 CYS A 395 8.052 -3.653 -14.830 1.00 0.00 H new ATOM 0 HB3 CYS A 395 8.232 -5.354 -15.213 1.00 0.00 H new ATOM 0 HG CYS A 395 10.480 -3.836 -13.762 1.00 0.00 H new ATOM 598 N GLY A 396 6.175 -3.112 -16.368 1.00 0.00 N ATOM 599 CA GLY A 396 4.742 -2.934 -16.510 1.00 0.00 C ATOM 600 C GLY A 396 4.009 -3.052 -15.189 1.00 0.00 C ATOM 601 O GLY A 396 2.832 -2.700 -15.089 1.00 0.00 O ATOM 0 H GLY A 396 6.605 -2.554 -15.630 1.00 0.00 H new ATOM 0 HA2 GLY A 396 4.542 -1.955 -16.947 1.00 0.00 H new ATOM 0 HA3 GLY A 396 4.354 -3.678 -17.205 1.00 0.00 H new ATOM 605 N LEU A 397 4.703 -3.549 -14.171 1.00 0.00 N ATOM 606 CA LEU A 397 4.110 -3.715 -12.849 1.00 0.00 C ATOM 607 C LEU A 397 3.493 -2.408 -12.361 1.00 0.00 C ATOM 608 O LEU A 397 3.714 -1.348 -12.948 1.00 0.00 O ATOM 609 CB LEU A 397 5.165 -4.198 -11.852 1.00 0.00 C ATOM 610 CG LEU A 397 5.211 -5.705 -11.601 1.00 0.00 C ATOM 611 CD1 LEU A 397 6.590 -6.259 -11.924 1.00 0.00 C ATOM 612 CD2 LEU A 397 4.833 -6.018 -10.161 1.00 0.00 C ATOM 0 H LEU A 397 5.677 -3.844 -14.236 1.00 0.00 H new ATOM 0 HA LEU A 397 3.320 -4.463 -12.923 1.00 0.00 H new ATOM 0 HB2 LEU A 397 6.145 -3.879 -12.207 1.00 0.00 H new ATOM 0 HB3 LEU A 397 4.993 -3.696 -10.900 1.00 0.00 H new ATOM 0 HG LEU A 397 4.486 -6.185 -12.259 1.00 0.00 H new ATOM 0 HD11 LEU A 397 6.603 -7.333 -11.739 1.00 0.00 H new ATOM 0 HD12 LEU A 397 6.822 -6.068 -12.972 1.00 0.00 H new ATOM 0 HD13 LEU A 397 7.334 -5.773 -11.293 1.00 0.00 H new ATOM 0 HD21 LEU A 397 4.871 -7.095 -10.001 1.00 0.00 H new ATOM 0 HD22 LEU A 397 5.533 -5.526 -9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 397 3.824 -5.657 -9.963 1.00 0.00 H new ATOM 624 N ARG A 398 2.722 -2.490 -11.282 1.00 0.00 N ATOM 625 CA ARG A 398 2.074 -1.313 -10.714 1.00 0.00 C ATOM 626 C ARG A 398 2.432 -1.154 -9.240 1.00 0.00 C ATOM 627 O ARG A 398 2.374 -2.113 -8.469 1.00 0.00 O ATOM 628 CB ARG A 398 0.556 -1.413 -10.874 1.00 0.00 C ATOM 629 CG ARG A 398 0.084 -1.269 -12.311 1.00 0.00 C ATOM 630 CD ARG A 398 -0.765 -2.455 -12.741 1.00 0.00 C ATOM 631 NE ARG A 398 -2.184 -2.241 -12.467 1.00 0.00 N ATOM 632 CZ ARG A 398 -3.080 -3.220 -12.425 1.00 0.00 C ATOM 633 NH1 ARG A 398 -2.708 -4.474 -12.638 1.00 0.00 N ATOM 634 NH2 ARG A 398 -4.353 -2.945 -12.170 1.00 0.00 N ATOM 0 H ARG A 398 2.530 -3.359 -10.783 1.00 0.00 H new ATOM 0 HA ARG A 398 2.432 -0.436 -11.253 1.00 0.00 H new ATOM 0 HB2 ARG A 398 0.221 -2.375 -10.485 1.00 0.00 H new ATOM 0 HB3 ARG A 398 0.084 -0.641 -10.266 1.00 0.00 H new ATOM 0 HG2 ARG A 398 -0.493 -0.350 -12.415 1.00 0.00 H new ATOM 0 HG3 ARG A 398 0.947 -1.180 -12.971 1.00 0.00 H new ATOM 0 HD2 ARG A 398 -0.625 -2.634 -13.807 1.00 0.00 H new ATOM 0 HD3 ARG A 398 -0.426 -3.351 -12.220 1.00 0.00 H new ATOM 0 HE ARG A 398 -2.504 -1.287 -12.299 1.00 0.00 H new ATOM 0 HH11 ARG A 398 -1.731 -4.690 -12.835 1.00 0.00 H new ATOM 0 HH12 ARG A 398 -3.399 -5.224 -12.605 1.00 0.00 H new ATOM 0 HH21 ARG A 398 -4.644 -1.981 -12.006 1.00 0.00 H new ATOM 0 HH22 ARG A 398 -5.041 -3.698 -12.138 1.00 0.00 H new ATOM 648 N PHE A 399 2.803 0.062 -8.854 1.00 0.00 N ATOM 649 CA PHE A 399 3.172 0.347 -7.472 1.00 0.00 C ATOM 650 C PHE A 399 2.337 1.494 -6.912 1.00 0.00 C ATOM 651 O PHE A 399 2.147 2.518 -7.569 1.00 0.00 O ATOM 652 CB PHE A 399 4.660 0.691 -7.380 1.00 0.00 C ATOM 653 CG PHE A 399 5.556 -0.359 -7.971 1.00 0.00 C ATOM 654 CD1 PHE A 399 6.016 -1.413 -7.197 1.00 0.00 C ATOM 655 CD2 PHE A 399 5.939 -0.293 -9.301 1.00 0.00 C ATOM 656 CE1 PHE A 399 6.840 -2.381 -7.739 1.00 0.00 C ATOM 657 CE2 PHE A 399 6.763 -1.259 -9.848 1.00 0.00 C ATOM 658 CZ PHE A 399 7.215 -2.303 -9.065 1.00 0.00 C ATOM 0 H PHE A 399 2.856 0.866 -9.479 1.00 0.00 H new ATOM 0 HA PHE A 399 2.975 -0.545 -6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 399 4.838 1.638 -7.890 1.00 0.00 H new ATOM 0 HB3 PHE A 399 4.927 0.838 -6.333 1.00 0.00 H new ATOM 0 HD1 PHE A 399 5.727 -1.478 -6.158 1.00 0.00 H new ATOM 0 HD2 PHE A 399 5.590 0.522 -9.917 1.00 0.00 H new ATOM 0 HE1 PHE A 399 7.190 -3.198 -7.125 1.00 0.00 H new ATOM 0 HE2 PHE A 399 7.053 -1.197 -10.887 1.00 0.00 H new ATOM 0 HZ PHE A 399 7.861 -3.057 -9.490 1.00 0.00 H new ATOM 668 N LYS A 400 1.841 1.316 -5.692 1.00 0.00 N ATOM 669 CA LYS A 400 1.027 2.335 -5.041 1.00 0.00 C ATOM 670 C LYS A 400 1.878 3.209 -4.126 1.00 0.00 C ATOM 671 O LYS A 400 1.375 3.795 -3.166 1.00 0.00 O ATOM 672 CB LYS A 400 -0.099 1.681 -4.236 1.00 0.00 C ATOM 673 CG LYS A 400 -1.336 1.372 -5.061 1.00 0.00 C ATOM 674 CD LYS A 400 -1.166 0.094 -5.864 1.00 0.00 C ATOM 675 CE LYS A 400 -2.509 -0.516 -6.233 1.00 0.00 C ATOM 676 NZ LYS A 400 -3.376 0.451 -6.962 1.00 0.00 N ATOM 0 H LYS A 400 1.989 0.475 -5.134 1.00 0.00 H new ATOM 0 HA LYS A 400 0.592 2.966 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 400 0.272 0.757 -3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 400 -0.376 2.340 -3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 400 -2.199 1.277 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 400 -1.541 2.203 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 400 -0.600 0.306 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 400 -0.585 -0.625 -5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 400 -2.349 -1.399 -6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 400 -3.017 -0.849 -5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 -4.198 -0.049 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 -3.702 1.188 -6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 -2.834 0.890 -7.734 1.00 0.00 H new ATOM 690 N ARG A 401 3.169 3.294 -4.429 1.00 0.00 N ATOM 691 CA ARG A 401 4.090 4.097 -3.634 1.00 0.00 C ATOM 692 C ARG A 401 5.243 4.612 -4.492 1.00 0.00 C ATOM 693 O ARG A 401 5.623 3.985 -5.481 1.00 0.00 O ATOM 694 CB ARG A 401 4.638 3.276 -2.465 1.00 0.00 C ATOM 695 CG ARG A 401 5.058 1.868 -2.854 1.00 0.00 C ATOM 696 CD ARG A 401 4.026 0.839 -2.420 1.00 0.00 C ATOM 697 NE ARG A 401 4.464 0.085 -1.248 1.00 0.00 N ATOM 698 CZ ARG A 401 3.773 -0.919 -0.720 1.00 0.00 C ATOM 699 NH1 ARG A 401 2.618 -1.288 -1.256 1.00 0.00 N ATOM 700 NH2 ARG A 401 4.237 -1.556 0.347 1.00 0.00 N ATOM 0 H ARG A 401 3.601 2.816 -5.220 1.00 0.00 H new ATOM 0 HA ARG A 401 3.540 4.953 -3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 401 5.495 3.796 -2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 401 3.878 3.217 -1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 401 5.196 1.814 -3.934 1.00 0.00 H new ATOM 0 HG3 ARG A 401 6.020 1.635 -2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 401 3.085 1.341 -2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 401 3.833 0.150 -3.243 1.00 0.00 H new ATOM 0 HE ARG A 401 5.349 0.344 -0.811 1.00 0.00 H new ATOM 0 HH11 ARG A 401 2.258 -0.801 -2.076 1.00 0.00 H new ATOM 0 HH12 ARG A 401 2.090 -2.059 -0.848 1.00 0.00 H new ATOM 0 HH21 ARG A 401 5.125 -1.275 0.763 1.00 0.00 H new ATOM 0 HH22 ARG A 401 3.706 -2.327 0.752 1.00 0.00 H new ATOM 714 N LYS A 402 5.794 5.758 -4.106 1.00 0.00 N ATOM 715 CA LYS A 402 6.903 6.358 -4.838 1.00 0.00 C ATOM 716 C LYS A 402 8.241 5.850 -4.311 1.00 0.00 C ATOM 717 O LYS A 402 9.268 5.971 -4.979 1.00 0.00 O ATOM 718 CB LYS A 402 6.846 7.884 -4.730 1.00 0.00 C ATOM 719 CG LYS A 402 5.808 8.520 -5.637 1.00 0.00 C ATOM 720 CD LYS A 402 6.330 9.799 -6.270 1.00 0.00 C ATOM 721 CE LYS A 402 6.759 9.573 -7.712 1.00 0.00 C ATOM 722 NZ LYS A 402 7.970 10.366 -8.061 1.00 0.00 N ATOM 0 H LYS A 402 5.490 6.290 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 402 6.812 6.070 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 402 6.631 8.159 -3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 402 7.827 8.294 -4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 402 5.526 7.815 -6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 402 4.907 8.738 -5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 402 5.556 10.565 -6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 402 7.175 10.173 -5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 402 6.961 8.513 -7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 402 5.942 9.844 -8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 8.230 10.184 -9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 7.770 11.379 -7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 8.757 10.089 -7.440 1.00 0.00 H new ATOM 736 N ASP A 403 8.221 5.279 -3.112 1.00 0.00 N ATOM 737 CA ASP A 403 9.433 4.750 -2.497 1.00 0.00 C ATOM 738 C ASP A 403 9.837 3.428 -3.142 1.00 0.00 C ATOM 739 O ASP A 403 11.001 3.031 -3.090 1.00 0.00 O ATOM 740 CB ASP A 403 9.224 4.555 -0.994 1.00 0.00 C ATOM 741 CG ASP A 403 10.446 4.942 -0.185 1.00 0.00 C ATOM 742 OD1 ASP A 403 10.550 6.124 0.205 1.00 0.00 O ATOM 743 OD2 ASP A 403 11.298 4.062 0.059 1.00 0.00 O ATOM 0 H ASP A 403 7.379 5.170 -2.546 1.00 0.00 H new ATOM 0 HA ASP A 403 10.235 5.471 -2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 403 8.372 5.152 -0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 403 8.977 3.512 -0.797 1.00 0.00 H new ATOM 748 N ARG A 404 8.868 2.751 -3.749 1.00 0.00 N ATOM 749 CA ARG A 404 9.122 1.473 -4.403 1.00 0.00 C ATOM 750 C ARG A 404 9.472 1.675 -5.874 1.00 0.00 C ATOM 751 O ARG A 404 10.550 1.289 -6.325 1.00 0.00 O ATOM 752 CB ARG A 404 7.901 0.560 -4.278 1.00 0.00 C ATOM 753 CG ARG A 404 7.804 -0.148 -2.937 1.00 0.00 C ATOM 754 CD ARG A 404 8.735 -1.348 -2.872 1.00 0.00 C ATOM 755 NE ARG A 404 8.052 -2.590 -3.225 1.00 0.00 N ATOM 756 CZ ARG A 404 8.589 -3.795 -3.067 1.00 0.00 C ATOM 757 NH1 ARG A 404 9.809 -3.919 -2.563 1.00 0.00 N ATOM 758 NH2 ARG A 404 7.905 -4.878 -3.412 1.00 0.00 N ATOM 0 H ARG A 404 7.899 3.066 -3.802 1.00 0.00 H new ATOM 0 HA ARG A 404 9.971 1.002 -3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 404 6.999 1.151 -4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 404 7.933 -0.186 -5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 404 8.052 0.550 -2.137 1.00 0.00 H new ATOM 0 HG3 ARG A 404 6.777 -0.473 -2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 404 9.576 -1.192 -3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 404 9.146 -1.434 -1.866 1.00 0.00 H new ATOM 0 HE ARG A 404 7.111 -2.529 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 404 10.337 -3.088 -2.296 1.00 0.00 H new ATOM 0 HH12 ARG A 404 10.219 -4.845 -2.443 1.00 0.00 H new ATOM 0 HH21 ARG A 404 6.966 -4.786 -3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 404 8.318 -5.803 -3.290 1.00 0.00 H new ATOM 772 N MET A 405 8.553 2.283 -6.618 1.00 0.00 N ATOM 773 CA MET A 405 8.764 2.536 -8.038 1.00 0.00 C ATOM 774 C MET A 405 10.096 3.242 -8.271 1.00 0.00 C ATOM 775 O MET A 405 10.758 3.020 -9.285 1.00 0.00 O ATOM 776 CB MET A 405 7.621 3.380 -8.603 1.00 0.00 C ATOM 777 CG MET A 405 7.536 4.772 -7.998 1.00 0.00 C ATOM 778 SD MET A 405 8.430 6.005 -8.963 1.00 0.00 S ATOM 779 CE MET A 405 7.450 6.039 -10.462 1.00 0.00 C ATOM 0 H MET A 405 7.655 2.609 -6.260 1.00 0.00 H new ATOM 0 HA MET A 405 8.786 1.576 -8.554 1.00 0.00 H new ATOM 0 HB2 MET A 405 7.745 3.469 -9.682 1.00 0.00 H new ATOM 0 HB3 MET A 405 6.678 2.861 -8.432 1.00 0.00 H new ATOM 0 HG2 MET A 405 6.489 5.067 -7.920 1.00 0.00 H new ATOM 0 HG3 MET A 405 7.937 4.749 -6.985 1.00 0.00 H new ATOM 0 HE1 MET A 405 8.053 6.428 -11.282 1.00 0.00 H new ATOM 0 HE2 MET A 405 7.119 5.029 -10.703 1.00 0.00 H new ATOM 0 HE3 MET A 405 6.581 6.680 -10.314 1.00 0.00 H new ATOM 789 N SER A 406 10.483 4.094 -7.327 1.00 0.00 N ATOM 790 CA SER A 406 11.735 4.835 -7.432 1.00 0.00 C ATOM 791 C SER A 406 12.931 3.890 -7.388 1.00 0.00 C ATOM 792 O SER A 406 13.941 4.118 -8.055 1.00 0.00 O ATOM 793 CB SER A 406 11.840 5.863 -6.304 1.00 0.00 C ATOM 794 OG SER A 406 13.169 6.334 -6.165 1.00 0.00 O ATOM 0 H SER A 406 9.948 4.288 -6.481 1.00 0.00 H new ATOM 0 HA SER A 406 11.741 5.356 -8.390 1.00 0.00 H new ATOM 0 HB2 SER A 406 11.173 6.701 -6.508 1.00 0.00 H new ATOM 0 HB3 SER A 406 11.510 5.414 -5.367 1.00 0.00 H new ATOM 0 HG SER A 406 13.209 6.991 -5.439 1.00 0.00 H new ATOM 800 N TYR A 407 12.810 2.829 -6.598 1.00 0.00 N ATOM 801 CA TYR A 407 13.882 1.850 -6.464 1.00 0.00 C ATOM 802 C TYR A 407 13.759 0.759 -7.523 1.00 0.00 C ATOM 803 O TYR A 407 14.727 0.061 -7.828 1.00 0.00 O ATOM 804 CB TYR A 407 13.859 1.225 -5.068 1.00 0.00 C ATOM 805 CG TYR A 407 15.016 0.289 -4.804 1.00 0.00 C ATOM 806 CD1 TYR A 407 16.310 0.629 -5.180 1.00 0.00 C ATOM 807 CD2 TYR A 407 14.816 -0.936 -4.180 1.00 0.00 C ATOM 808 CE1 TYR A 407 17.371 -0.224 -4.942 1.00 0.00 C ATOM 809 CE2 TYR A 407 15.871 -1.795 -3.936 1.00 0.00 C ATOM 810 CZ TYR A 407 17.146 -1.434 -4.319 1.00 0.00 C ATOM 811 OH TYR A 407 18.199 -2.287 -4.080 1.00 0.00 O ATOM 0 H TYR A 407 11.980 2.625 -6.041 1.00 0.00 H new ATOM 0 HA TYR A 407 14.831 2.367 -6.608 1.00 0.00 H new ATOM 0 HB2 TYR A 407 13.869 2.020 -4.323 1.00 0.00 H new ATOM 0 HB3 TYR A 407 12.924 0.679 -4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 407 16.490 1.576 -5.667 1.00 0.00 H new ATOM 0 HD2 TYR A 407 13.819 -1.222 -3.880 1.00 0.00 H new ATOM 0 HE1 TYR A 407 18.370 0.055 -5.242 1.00 0.00 H new ATOM 0 HE2 TYR A 407 15.698 -2.743 -3.448 1.00 0.00 H new ATOM 0 HH TYR A 407 17.871 -3.095 -3.633 1.00 0.00 H new ATOM 821 N HIS A 408 12.562 0.619 -8.082 1.00 0.00 N ATOM 822 CA HIS A 408 12.311 -0.386 -9.109 1.00 0.00 C ATOM 823 C HIS A 408 12.752 0.116 -10.481 1.00 0.00 C ATOM 824 O HIS A 408 13.405 -0.604 -11.236 1.00 0.00 O ATOM 825 CB HIS A 408 10.827 -0.754 -9.141 1.00 0.00 C ATOM 826 CG HIS A 408 10.485 -1.778 -10.179 1.00 0.00 C ATOM 827 ND1 HIS A 408 10.673 -3.131 -9.992 1.00 0.00 N ATOM 828 CD2 HIS A 408 9.963 -1.640 -11.421 1.00 0.00 C ATOM 829 CE1 HIS A 408 10.283 -3.781 -11.074 1.00 0.00 C ATOM 830 NE2 HIS A 408 9.848 -2.900 -11.955 1.00 0.00 N ATOM 0 H HIS A 408 11.751 1.188 -7.842 1.00 0.00 H new ATOM 0 HA HIS A 408 12.893 -1.274 -8.862 1.00 0.00 H new ATOM 0 HB2 HIS A 408 10.533 -1.130 -8.161 1.00 0.00 H new ATOM 0 HB3 HIS A 408 10.242 0.147 -9.325 1.00 0.00 H new ATOM 0 HD1 HIS A 408 11.054 -3.563 -9.150 1.00 0.00 H new ATOM 0 HD2 HIS A 408 9.689 -0.713 -11.902 1.00 0.00 H new ATOM 0 HE1 HIS A 408 10.315 -4.851 -11.214 1.00 0.00 H new ATOM 838 N VAL A 409 12.390 1.356 -10.796 1.00 0.00 N ATOM 839 CA VAL A 409 12.749 1.955 -12.076 1.00 0.00 C ATOM 840 C VAL A 409 14.260 2.105 -12.208 1.00 0.00 C ATOM 841 O VAL A 409 14.857 1.652 -13.185 1.00 0.00 O ATOM 842 CB VAL A 409 12.089 3.335 -12.255 1.00 0.00 C ATOM 843 CG1 VAL A 409 12.511 3.962 -13.575 1.00 0.00 C ATOM 844 CG2 VAL A 409 10.575 3.215 -12.171 1.00 0.00 C ATOM 0 H VAL A 409 11.849 1.965 -10.182 1.00 0.00 H new ATOM 0 HA VAL A 409 12.385 1.283 -12.853 1.00 0.00 H new ATOM 0 HB VAL A 409 12.424 3.987 -11.448 1.00 0.00 H new ATOM 0 HG11 VAL A 409 12.035 4.936 -13.684 1.00 0.00 H new ATOM 0 HG12 VAL A 409 13.594 4.084 -13.590 1.00 0.00 H new ATOM 0 HG13 VAL A 409 12.207 3.316 -14.398 1.00 0.00 H new ATOM 0 HG21 VAL A 409 10.124 4.199 -12.299 1.00 0.00 H new ATOM 0 HG22 VAL A 409 10.219 2.548 -12.956 1.00 0.00 H new ATOM 0 HG23 VAL A 409 10.295 2.812 -11.198 1.00 0.00 H new ATOM 854 N ARG A 410 14.874 2.745 -11.217 1.00 0.00 N ATOM 855 CA ARG A 410 16.317 2.956 -11.222 1.00 0.00 C ATOM 856 C ARG A 410 17.061 1.624 -11.202 1.00 0.00 C ATOM 857 O ARG A 410 18.129 1.490 -11.800 1.00 0.00 O ATOM 858 CB ARG A 410 16.734 3.804 -10.019 1.00 0.00 C ATOM 859 CG ARG A 410 15.956 5.103 -9.891 1.00 0.00 C ATOM 860 CD ARG A 410 16.426 6.137 -10.903 1.00 0.00 C ATOM 861 NE ARG A 410 16.946 7.339 -10.256 1.00 0.00 N ATOM 862 CZ ARG A 410 17.458 8.368 -10.921 1.00 0.00 C ATOM 863 NH1 ARG A 410 17.518 8.342 -12.246 1.00 0.00 N ATOM 864 NH2 ARG A 410 17.910 9.427 -10.262 1.00 0.00 N ATOM 0 H ARG A 410 14.395 3.126 -10.401 1.00 0.00 H new ATOM 0 HA ARG A 410 16.579 3.485 -12.138 1.00 0.00 H new ATOM 0 HB2 ARG A 410 16.600 3.219 -9.109 1.00 0.00 H new ATOM 0 HB3 ARG A 410 17.797 4.033 -10.097 1.00 0.00 H new ATOM 0 HG2 ARG A 410 14.893 4.908 -10.036 1.00 0.00 H new ATOM 0 HG3 ARG A 410 16.073 5.500 -8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 410 17.201 5.701 -11.534 1.00 0.00 H new ATOM 0 HD3 ARG A 410 15.597 6.407 -11.557 1.00 0.00 H new ATOM 0 HE ARG A 410 16.914 7.391 -9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 410 17.170 7.530 -12.756 1.00 0.00 H new ATOM 0 HH12 ARG A 410 17.912 9.134 -12.754 1.00 0.00 H new ATOM 0 HH21 ARG A 410 17.864 9.451 -9.243 1.00 0.00 H new ATOM 0 HH22 ARG A 410 18.303 10.217 -10.774 1.00 0.00 H new ATOM 878 N SER A 411 16.491 0.643 -10.510 1.00 0.00 N ATOM 879 CA SER A 411 17.102 -0.676 -10.409 1.00 0.00 C ATOM 880 C SER A 411 17.445 -1.224 -11.791 1.00 0.00 C ATOM 881 O SER A 411 18.398 -1.988 -11.950 1.00 0.00 O ATOM 882 CB SER A 411 16.164 -1.642 -9.683 1.00 0.00 C ATOM 883 OG SER A 411 16.495 -2.989 -9.971 1.00 0.00 O ATOM 0 H SER A 411 15.606 0.737 -10.011 1.00 0.00 H new ATOM 0 HA SER A 411 18.025 -0.578 -9.837 1.00 0.00 H new ATOM 0 HB2 SER A 411 16.223 -1.472 -8.608 1.00 0.00 H new ATOM 0 HB3 SER A 411 15.134 -1.446 -9.981 1.00 0.00 H new ATOM 0 HG SER A 411 15.882 -3.586 -9.494 1.00 0.00 H new ATOM 889 N HIS A 412 16.660 -0.829 -12.788 1.00 0.00 N ATOM 890 CA HIS A 412 16.880 -1.280 -14.158 1.00 0.00 C ATOM 891 C HIS A 412 17.885 -0.381 -14.871 1.00 0.00 C ATOM 892 O HIS A 412 18.793 -0.863 -15.548 1.00 0.00 O ATOM 893 CB HIS A 412 15.559 -1.300 -14.928 1.00 0.00 C ATOM 894 CG HIS A 412 14.436 -1.942 -14.175 1.00 0.00 C ATOM 895 ND1 HIS A 412 14.561 -3.150 -13.522 1.00 0.00 N ATOM 896 CD2 HIS A 412 13.160 -1.536 -13.971 1.00 0.00 C ATOM 897 CE1 HIS A 412 13.411 -3.461 -12.951 1.00 0.00 C ATOM 898 NE2 HIS A 412 12.545 -2.497 -13.207 1.00 0.00 N ATOM 0 H HIS A 412 15.867 -0.198 -12.673 1.00 0.00 H new ATOM 0 HA HIS A 412 17.286 -2.291 -14.121 1.00 0.00 H new ATOM 0 HB2 HIS A 412 15.279 -0.277 -15.179 1.00 0.00 H new ATOM 0 HB3 HIS A 412 15.705 -1.831 -15.869 1.00 0.00 H new ATOM 0 HD2 HIS A 412 12.710 -0.626 -14.340 1.00 0.00 H new ATOM 0 HE1 HIS A 412 13.213 -4.352 -12.373 1.00 0.00 H new ATOM 0 HE2 HIS A 412 11.576 -2.471 -12.889 1.00 0.00 H new ATOM 959 N LYS A 418 26.560 6.757 -18.768 1.00 0.00 N ATOM 960 CA LYS A 418 28.014 6.836 -18.701 1.00 0.00 C ATOM 961 C LYS A 418 28.513 8.167 -19.255 1.00 0.00 C ATOM 962 O LYS A 418 27.837 8.832 -20.040 1.00 0.00 O ATOM 963 CB LYS A 418 28.645 5.679 -19.479 1.00 0.00 C ATOM 964 CG LYS A 418 28.582 4.349 -18.749 1.00 0.00 C ATOM 965 CD LYS A 418 29.347 4.396 -17.437 1.00 0.00 C ATOM 966 CE LYS A 418 29.694 2.999 -16.944 1.00 0.00 C ATOM 967 NZ LYS A 418 28.478 2.227 -16.566 1.00 0.00 N ATOM 0 HA LYS A 418 28.309 6.765 -17.654 1.00 0.00 H new ATOM 0 HB2 LYS A 418 28.140 5.581 -20.440 1.00 0.00 H new ATOM 0 HB3 LYS A 418 29.687 5.919 -19.689 1.00 0.00 H new ATOM 0 HG2 LYS A 418 27.542 4.088 -18.555 1.00 0.00 H new ATOM 0 HG3 LYS A 418 28.994 3.565 -19.384 1.00 0.00 H new ATOM 0 HD2 LYS A 418 30.262 4.974 -17.568 1.00 0.00 H new ATOM 0 HD3 LYS A 418 28.750 4.911 -16.684 1.00 0.00 H new ATOM 0 HE2 LYS A 418 30.237 2.463 -17.723 1.00 0.00 H new ATOM 0 HE3 LYS A 418 30.360 3.072 -16.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 28.756 1.281 -16.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 27.973 2.725 -15.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 27.854 2.135 -17.393 1.00 0.00 H new ATOM 981 N PRO A 419 29.724 8.566 -18.839 1.00 0.00 N ATOM 982 CA PRO A 419 30.341 9.819 -19.283 1.00 0.00 C ATOM 983 C PRO A 419 30.751 9.775 -20.751 1.00 0.00 C ATOM 984 O PRO A 419 30.455 10.694 -21.516 1.00 0.00 O ATOM 985 CB PRO A 419 31.575 9.945 -18.387 1.00 0.00 C ATOM 986 CG PRO A 419 31.901 8.545 -17.994 1.00 0.00 C ATOM 987 CD PRO A 419 30.586 7.823 -17.904 1.00 0.00 C ATOM 0 HA PRO A 419 29.653 10.661 -19.205 1.00 0.00 H new ATOM 0 HB2 PRO A 419 32.405 10.411 -18.919 1.00 0.00 H new ATOM 0 HB3 PRO A 419 31.369 10.564 -17.514 1.00 0.00 H new ATOM 0 HG2 PRO A 419 32.554 8.075 -18.729 1.00 0.00 H new ATOM 0 HG3 PRO A 419 32.426 8.520 -17.039 1.00 0.00 H new ATOM 0 HD2 PRO A 419 30.682 6.776 -18.192 1.00 0.00 H new ATOM 0 HD3 PRO A 419 30.187 7.840 -16.890 1.00 0.00 H new ATOM 995 N TYR A 420 31.432 8.703 -21.139 1.00 0.00 N ATOM 996 CA TYR A 420 31.885 8.541 -22.515 1.00 0.00 C ATOM 997 C TYR A 420 31.278 7.291 -23.144 1.00 0.00 C ATOM 998 O TYR A 420 31.199 6.238 -22.509 1.00 0.00 O ATOM 999 CB TYR A 420 33.411 8.461 -22.566 1.00 0.00 C ATOM 1000 CG TYR A 420 34.101 9.670 -21.974 1.00 0.00 C ATOM 1001 CD1 TYR A 420 34.199 10.858 -22.688 1.00 0.00 C ATOM 1002 CD2 TYR A 420 34.654 9.623 -20.700 1.00 0.00 C ATOM 1003 CE1 TYR A 420 34.828 11.964 -22.151 1.00 0.00 C ATOM 1004 CE2 TYR A 420 35.284 10.725 -20.155 1.00 0.00 C ATOM 1005 CZ TYR A 420 35.369 11.893 -20.884 1.00 0.00 C ATOM 1006 OH TYR A 420 35.996 12.993 -20.345 1.00 0.00 O ATOM 0 H TYR A 420 31.683 7.933 -20.519 1.00 0.00 H new ATOM 0 HA TYR A 420 31.554 9.410 -23.084 1.00 0.00 H new ATOM 0 HB2 TYR A 420 33.738 7.569 -22.032 1.00 0.00 H new ATOM 0 HB3 TYR A 420 33.726 8.345 -23.603 1.00 0.00 H new ATOM 0 HD1 TYR A 420 33.776 10.917 -23.680 1.00 0.00 H new ATOM 0 HD2 TYR A 420 34.590 8.710 -20.127 1.00 0.00 H new ATOM 0 HE1 TYR A 420 34.896 12.880 -22.720 1.00 0.00 H new ATOM 0 HE2 TYR A 420 35.708 10.672 -19.163 1.00 0.00 H new ATOM 0 HH TYR A 420 36.320 12.777 -19.446 1.00 0.00 H new ATOM 1016 N ILE A 421 30.850 7.414 -24.396 1.00 0.00 N ATOM 1017 CA ILE A 421 30.252 6.295 -25.113 1.00 0.00 C ATOM 1018 C ILE A 421 30.955 6.056 -26.445 1.00 0.00 C ATOM 1019 O ILE A 421 31.419 6.996 -27.091 1.00 0.00 O ATOM 1020 CB ILE A 421 28.752 6.529 -25.371 1.00 0.00 C ATOM 1021 CG1 ILE A 421 28.535 7.876 -26.063 1.00 0.00 C ATOM 1022 CG2 ILE A 421 27.974 6.467 -24.065 1.00 0.00 C ATOM 1023 CD1 ILE A 421 28.381 9.032 -25.100 1.00 0.00 C ATOM 0 H ILE A 421 30.906 8.278 -24.935 1.00 0.00 H new ATOM 0 HA ILE A 421 30.370 5.415 -24.480 1.00 0.00 H new ATOM 0 HB ILE A 421 28.384 5.741 -26.028 1.00 0.00 H new ATOM 0 HG12 ILE A 421 29.378 8.075 -26.725 1.00 0.00 H new ATOM 0 HG13 ILE A 421 27.645 7.814 -26.689 1.00 0.00 H new ATOM 0 HG21 ILE A 421 26.915 6.634 -24.264 1.00 0.00 H new ATOM 0 HG22 ILE A 421 28.107 5.486 -23.609 1.00 0.00 H new ATOM 0 HG23 ILE A 421 28.342 7.236 -23.386 1.00 0.00 H new ATOM 0 HD11 ILE A 421 28.231 9.955 -25.660 1.00 0.00 H new ATOM 0 HD12 ILE A 421 27.521 8.855 -24.454 1.00 0.00 H new ATOM 0 HD13 ILE A 421 29.280 9.120 -24.491 1.00 0.00 H new ATOM 1035 N CYS A 422 31.028 4.793 -26.851 1.00 0.00 N ATOM 1036 CA CYS A 422 31.672 4.429 -28.107 1.00 0.00 C ATOM 1037 C CYS A 422 31.119 5.259 -29.263 1.00 0.00 C ATOM 1038 O CYS A 422 30.019 5.805 -29.176 1.00 0.00 O ATOM 1039 CB CYS A 422 31.473 2.940 -28.394 1.00 0.00 C ATOM 1040 SG CYS A 422 32.651 2.251 -29.601 1.00 0.00 S ATOM 0 H CYS A 422 30.649 4.004 -26.328 1.00 0.00 H new ATOM 0 HA CYS A 422 32.738 4.635 -28.012 1.00 0.00 H new ATOM 0 HB2 CYS A 422 31.561 2.386 -27.459 1.00 0.00 H new ATOM 0 HB3 CYS A 422 30.459 2.784 -28.762 1.00 0.00 H new ATOM 0 HG CYS A 422 32.220 1.098 -30.019 1.00 0.00 H new ATOM 1045 N GLN A 423 31.889 5.348 -30.342 1.00 0.00 N ATOM 1046 CA GLN A 423 31.477 6.112 -31.513 1.00 0.00 C ATOM 1047 C GLN A 423 30.749 5.221 -32.515 1.00 0.00 C ATOM 1048 O GLN A 423 30.219 5.701 -33.517 1.00 0.00 O ATOM 1049 CB GLN A 423 32.691 6.761 -32.179 1.00 0.00 C ATOM 1050 CG GLN A 423 33.520 7.615 -31.233 1.00 0.00 C ATOM 1051 CD GLN A 423 34.294 8.701 -31.954 1.00 0.00 C ATOM 1052 OE1 GLN A 423 34.186 8.852 -33.172 1.00 0.00 O ATOM 1053 NE2 GLN A 423 35.081 9.464 -31.205 1.00 0.00 N ATOM 0 H GLN A 423 32.801 4.901 -30.430 1.00 0.00 H new ATOM 0 HA GLN A 423 30.792 6.893 -31.183 1.00 0.00 H new ATOM 0 HB2 GLN A 423 33.325 5.980 -32.600 1.00 0.00 H new ATOM 0 HB3 GLN A 423 32.352 7.379 -33.010 1.00 0.00 H new ATOM 0 HG2 GLN A 423 32.864 8.072 -30.493 1.00 0.00 H new ATOM 0 HG3 GLN A 423 34.217 6.977 -30.690 1.00 0.00 H new ATOM 0 HE21 GLN A 423 35.140 9.303 -30.199 1.00 0.00 H new ATOM 0 HE22 GLN A 423 35.627 10.211 -31.635 1.00 0.00 H new ATOM 1062 N SER A 424 30.726 3.921 -32.236 1.00 0.00 N ATOM 1063 CA SER A 424 30.067 2.962 -33.115 1.00 0.00 C ATOM 1064 C SER A 424 28.811 2.399 -32.458 1.00 0.00 C ATOM 1065 O SER A 424 27.691 2.771 -32.810 1.00 0.00 O ATOM 1066 CB SER A 424 31.024 1.824 -33.472 1.00 0.00 C ATOM 1067 OG SER A 424 32.196 1.875 -32.678 1.00 0.00 O ATOM 0 H SER A 424 31.156 3.508 -31.408 1.00 0.00 H new ATOM 0 HA SER A 424 29.777 3.482 -34.028 1.00 0.00 H new ATOM 0 HB2 SER A 424 30.525 0.866 -33.328 1.00 0.00 H new ATOM 0 HB3 SER A 424 31.292 1.888 -34.527 1.00 0.00 H new ATOM 0 HG SER A 424 31.949 1.880 -31.730 1.00 0.00 H new ATOM 1073 N CYS A 425 29.005 1.498 -31.500 1.00 0.00 N ATOM 1074 CA CYS A 425 27.890 0.880 -30.793 1.00 0.00 C ATOM 1075 C CYS A 425 27.287 1.848 -29.778 1.00 0.00 C ATOM 1076 O CYS A 425 26.166 1.655 -29.310 1.00 0.00 O ATOM 1077 CB CYS A 425 28.351 -0.395 -30.085 1.00 0.00 C ATOM 1078 SG CYS A 425 29.661 -0.128 -28.848 1.00 0.00 S ATOM 0 H CYS A 425 29.925 1.180 -31.196 1.00 0.00 H new ATOM 0 HA CYS A 425 27.125 0.624 -31.526 1.00 0.00 H new ATOM 0 HB2 CYS A 425 27.493 -0.856 -29.596 1.00 0.00 H new ATOM 0 HB3 CYS A 425 28.711 -1.103 -30.832 1.00 0.00 H new ATOM 0 HG CYS A 425 30.702 -0.843 -29.157 1.00 0.00 H new ATOM 1083 N GLY A 426 28.041 2.891 -29.442 1.00 0.00 N ATOM 1084 CA GLY A 426 27.565 3.873 -28.486 1.00 0.00 C ATOM 1085 C GLY A 426 27.001 3.235 -27.232 1.00 0.00 C ATOM 1086 O GLY A 426 25.825 3.409 -26.912 1.00 0.00 O ATOM 0 H GLY A 426 28.973 3.073 -29.815 1.00 0.00 H new ATOM 0 HA2 GLY A 426 28.385 4.538 -28.214 1.00 0.00 H new ATOM 0 HA3 GLY A 426 26.797 4.488 -28.954 1.00 0.00 H new ATOM 1090 N LYS A 427 27.841 2.492 -26.519 1.00 0.00 N ATOM 1091 CA LYS A 427 27.421 1.825 -25.293 1.00 0.00 C ATOM 1092 C LYS A 427 27.614 2.736 -24.084 1.00 0.00 C ATOM 1093 O LYS A 427 26.654 3.299 -23.560 1.00 0.00 O ATOM 1094 CB LYS A 427 28.210 0.528 -25.098 1.00 0.00 C ATOM 1095 CG LYS A 427 27.863 -0.208 -23.815 1.00 0.00 C ATOM 1096 CD LYS A 427 28.566 -1.552 -23.736 1.00 0.00 C ATOM 1097 CE LYS A 427 27.594 -2.703 -23.945 1.00 0.00 C ATOM 1098 NZ LYS A 427 27.985 -3.909 -23.164 1.00 0.00 N ATOM 0 H LYS A 427 28.817 2.337 -26.770 1.00 0.00 H new ATOM 0 HA LYS A 427 26.361 1.589 -25.382 1.00 0.00 H new ATOM 0 HB2 LYS A 427 28.025 -0.131 -25.946 1.00 0.00 H new ATOM 0 HB3 LYS A 427 29.276 0.757 -25.099 1.00 0.00 H new ATOM 0 HG2 LYS A 427 28.145 0.402 -22.957 1.00 0.00 H new ATOM 0 HG3 LYS A 427 26.785 -0.357 -23.760 1.00 0.00 H new ATOM 0 HD2 LYS A 427 29.352 -1.597 -24.489 1.00 0.00 H new ATOM 0 HD3 LYS A 427 29.049 -1.654 -22.764 1.00 0.00 H new ATOM 0 HE2 LYS A 427 26.592 -2.390 -23.652 1.00 0.00 H new ATOM 0 HE3 LYS A 427 27.552 -2.955 -25.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 27.297 -4.671 -23.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 28.931 -4.224 -23.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 28.000 -3.676 -22.150 1.00 0.00 H new ATOM 1112 N GLY A 428 28.862 2.877 -23.648 1.00 0.00 N ATOM 1113 CA GLY A 428 29.157 3.721 -22.505 1.00 0.00 C ATOM 1114 C GLY A 428 30.143 3.080 -21.550 1.00 0.00 C ATOM 1115 O GLY A 428 30.026 1.898 -21.225 1.00 0.00 O ATOM 0 H GLY A 428 29.674 2.422 -24.066 1.00 0.00 H new ATOM 0 HA2 GLY A 428 29.560 4.672 -22.854 1.00 0.00 H new ATOM 0 HA3 GLY A 428 28.232 3.943 -21.973 1.00 0.00 H new ATOM 1119 N PHE A 429 31.120 3.860 -21.098 1.00 0.00 N ATOM 1120 CA PHE A 429 32.133 3.361 -20.176 1.00 0.00 C ATOM 1121 C PHE A 429 32.403 4.372 -19.065 1.00 0.00 C ATOM 1122 O PHE A 429 32.491 5.574 -19.314 1.00 0.00 O ATOM 1123 CB PHE A 429 33.430 3.053 -20.927 1.00 0.00 C ATOM 1124 CG PHE A 429 33.332 1.851 -21.823 1.00 0.00 C ATOM 1125 CD1 PHE A 429 32.730 1.945 -23.068 1.00 0.00 C ATOM 1126 CD2 PHE A 429 33.842 0.627 -21.421 1.00 0.00 C ATOM 1127 CE1 PHE A 429 32.638 0.841 -23.893 1.00 0.00 C ATOM 1128 CE2 PHE A 429 33.754 -0.481 -22.243 1.00 0.00 C ATOM 1129 CZ PHE A 429 33.152 -0.373 -23.481 1.00 0.00 C ATOM 0 H PHE A 429 31.231 4.841 -21.356 1.00 0.00 H new ATOM 0 HA PHE A 429 31.756 2.443 -19.724 1.00 0.00 H new ATOM 0 HB2 PHE A 429 33.709 3.920 -21.525 1.00 0.00 H new ATOM 0 HB3 PHE A 429 34.230 2.893 -20.204 1.00 0.00 H new ATOM 0 HD1 PHE A 429 32.328 2.892 -23.397 1.00 0.00 H new ATOM 0 HD2 PHE A 429 34.314 0.537 -20.454 1.00 0.00 H new ATOM 0 HE1 PHE A 429 32.164 0.927 -24.860 1.00 0.00 H new ATOM 0 HE2 PHE A 429 34.155 -1.429 -21.917 1.00 0.00 H new ATOM 0 HZ PHE A 429 33.083 -1.236 -24.126 1.00 0.00 H new ATOM 1139 N SER A 430 32.534 3.875 -17.840 1.00 0.00 N ATOM 1140 CA SER A 430 32.790 4.734 -16.690 1.00 0.00 C ATOM 1141 C SER A 430 33.988 5.643 -16.946 1.00 0.00 C ATOM 1142 O SER A 430 33.928 6.850 -16.710 1.00 0.00 O ATOM 1143 CB SER A 430 33.036 3.888 -15.439 1.00 0.00 C ATOM 1144 OG SER A 430 34.061 2.936 -15.661 1.00 0.00 O ATOM 0 H SER A 430 32.467 2.882 -17.618 1.00 0.00 H new ATOM 0 HA SER A 430 31.910 5.358 -16.531 1.00 0.00 H new ATOM 0 HB2 SER A 430 33.311 4.536 -14.606 1.00 0.00 H new ATOM 0 HB3 SER A 430 32.116 3.377 -15.155 1.00 0.00 H new ATOM 0 HG SER A 430 34.200 2.409 -14.846 1.00 0.00 H new ATOM 1150 N ARG A 431 35.076 5.053 -17.431 1.00 0.00 N ATOM 1151 CA ARG A 431 36.290 5.808 -17.719 1.00 0.00 C ATOM 1152 C ARG A 431 36.532 5.895 -19.223 1.00 0.00 C ATOM 1153 O ARG A 431 36.001 5.110 -20.009 1.00 0.00 O ATOM 1154 CB ARG A 431 37.494 5.159 -17.034 1.00 0.00 C ATOM 1155 CG ARG A 431 37.850 5.792 -15.699 1.00 0.00 C ATOM 1156 CD ARG A 431 37.177 5.068 -14.543 1.00 0.00 C ATOM 1157 NE ARG A 431 37.380 5.759 -13.273 1.00 0.00 N ATOM 1158 CZ ARG A 431 36.789 5.400 -12.138 1.00 0.00 C ATOM 1159 NH1 ARG A 431 35.963 4.363 -12.116 1.00 0.00 N ATOM 1160 NH2 ARG A 431 37.024 6.079 -11.023 1.00 0.00 N ATOM 0 H ARG A 431 35.142 4.055 -17.633 1.00 0.00 H new ATOM 0 HA ARG A 431 36.161 6.818 -17.330 1.00 0.00 H new ATOM 0 HB2 ARG A 431 37.287 4.100 -16.880 1.00 0.00 H new ATOM 0 HB3 ARG A 431 38.356 5.222 -17.698 1.00 0.00 H new ATOM 0 HG2 ARG A 431 38.931 5.772 -15.562 1.00 0.00 H new ATOM 0 HG3 ARG A 431 37.548 6.839 -15.699 1.00 0.00 H new ATOM 0 HD2 ARG A 431 36.109 4.981 -14.742 1.00 0.00 H new ATOM 0 HD3 ARG A 431 37.571 4.054 -14.471 1.00 0.00 H new ATOM 0 HE ARG A 431 38.010 6.561 -13.256 1.00 0.00 H new ATOM 0 HH11 ARG A 431 35.780 3.839 -12.972 1.00 0.00 H new ATOM 0 HH12 ARG A 431 35.511 4.090 -11.244 1.00 0.00 H new ATOM 0 HH21 ARG A 431 37.659 6.877 -11.036 1.00 0.00 H new ATOM 0 HH22 ARG A 431 36.570 5.803 -10.152 1.00 0.00 H new ATOM 1174 N PRO A 432 37.354 6.872 -19.635 1.00 0.00 N ATOM 1175 CA PRO A 432 37.685 7.085 -21.047 1.00 0.00 C ATOM 1176 C PRO A 432 38.565 5.974 -21.610 1.00 0.00 C ATOM 1177 O PRO A 432 38.289 5.433 -22.680 1.00 0.00 O ATOM 1178 CB PRO A 432 38.443 8.415 -21.037 1.00 0.00 C ATOM 1179 CG PRO A 432 39.013 8.515 -19.664 1.00 0.00 C ATOM 1180 CD PRO A 432 38.022 7.844 -18.754 1.00 0.00 C ATOM 0 HA PRO A 432 36.796 7.090 -21.678 1.00 0.00 H new ATOM 0 HB2 PRO A 432 39.228 8.429 -21.794 1.00 0.00 H new ATOM 0 HB3 PRO A 432 37.778 9.252 -21.252 1.00 0.00 H new ATOM 0 HG2 PRO A 432 39.986 8.027 -19.609 1.00 0.00 H new ATOM 0 HG3 PRO A 432 39.162 9.556 -19.378 1.00 0.00 H new ATOM 0 HD2 PRO A 432 38.515 7.353 -17.915 1.00 0.00 H new ATOM 0 HD3 PRO A 432 37.314 8.559 -18.334 1.00 0.00 H new ATOM 1188 N ASP A 433 39.625 5.640 -20.882 1.00 0.00 N ATOM 1189 CA ASP A 433 40.545 4.592 -21.308 1.00 0.00 C ATOM 1190 C ASP A 433 39.795 3.296 -21.601 1.00 0.00 C ATOM 1191 O ASP A 433 40.120 2.578 -22.547 1.00 0.00 O ATOM 1192 CB ASP A 433 41.607 4.349 -20.235 1.00 0.00 C ATOM 1193 CG ASP A 433 43.016 4.384 -20.796 1.00 0.00 C ATOM 1194 OD1 ASP A 433 43.475 3.343 -21.310 1.00 0.00 O ATOM 1195 OD2 ASP A 433 43.658 5.452 -20.721 1.00 0.00 O ATOM 0 H ASP A 433 39.868 6.080 -19.994 1.00 0.00 H new ATOM 0 HA ASP A 433 41.034 4.923 -22.224 1.00 0.00 H new ATOM 0 HB2 ASP A 433 41.511 5.104 -19.455 1.00 0.00 H new ATOM 0 HB3 ASP A 433 41.430 3.381 -19.765 1.00 0.00 H new ATOM 1200 N HIS A 434 38.790 3.002 -20.782 1.00 0.00 N ATOM 1201 CA HIS A 434 37.993 1.792 -20.953 1.00 0.00 C ATOM 1202 C HIS A 434 37.354 1.753 -22.338 1.00 0.00 C ATOM 1203 O HIS A 434 37.055 0.681 -22.866 1.00 0.00 O ATOM 1204 CB HIS A 434 36.910 1.713 -19.877 1.00 0.00 C ATOM 1205 CG HIS A 434 37.453 1.518 -18.494 1.00 0.00 C ATOM 1206 ND1 HIS A 434 38.607 1.942 -17.929 1.00 0.00 N flip ATOM 1207 CD2 HIS A 434 36.785 0.810 -17.517 1.00 0.00 C flip ATOM 1208 CE1 HIS A 434 38.615 1.488 -16.632 1.00 0.00 C flip ATOM 1209 NE2 HIS A 434 37.505 0.809 -16.409 1.00 0.00 N flip ATOM 0 H HIS A 434 38.508 3.585 -19.994 1.00 0.00 H new ATOM 0 HA HIS A 434 38.657 0.933 -20.854 1.00 0.00 H new ATOM 0 HB2 HIS A 434 36.318 2.628 -19.901 1.00 0.00 H new ATOM 0 HB3 HIS A 434 36.234 0.891 -20.113 1.00 0.00 H new ATOM 0 HD2 HIS A 434 35.824 0.332 -17.638 1.00 0.00 H new ATOM 0 HE1 HIS A 434 39.402 1.659 -15.912 1.00 0.00 H new ATOM 0 HE2 HIS A 434 37.247 0.360 -15.530 1.00 0.00 H new ATOM 1217 N LEU A 435 37.147 2.928 -22.922 1.00 0.00 N ATOM 1218 CA LEU A 435 36.543 3.029 -24.246 1.00 0.00 C ATOM 1219 C LEU A 435 37.605 2.942 -25.337 1.00 0.00 C ATOM 1220 O LEU A 435 37.327 2.507 -26.454 1.00 0.00 O ATOM 1221 CB LEU A 435 35.768 4.342 -24.376 1.00 0.00 C ATOM 1222 CG LEU A 435 35.008 4.545 -25.687 1.00 0.00 C ATOM 1223 CD1 LEU A 435 33.869 3.545 -25.804 1.00 0.00 C ATOM 1224 CD2 LEU A 435 34.481 5.970 -25.782 1.00 0.00 C ATOM 0 H LEU A 435 37.389 3.824 -22.499 1.00 0.00 H new ATOM 0 HA LEU A 435 35.854 2.194 -24.368 1.00 0.00 H new ATOM 0 HB2 LEU A 435 35.056 4.403 -23.553 1.00 0.00 H new ATOM 0 HB3 LEU A 435 36.469 5.168 -24.254 1.00 0.00 H new ATOM 0 HG LEU A 435 35.697 4.377 -26.514 1.00 0.00 H new ATOM 0 HD11 LEU A 435 33.340 3.705 -26.743 1.00 0.00 H new ATOM 0 HD12 LEU A 435 34.271 2.532 -25.782 1.00 0.00 H new ATOM 0 HD13 LEU A 435 33.179 3.680 -24.971 1.00 0.00 H new ATOM 0 HD21 LEU A 435 33.943 6.097 -26.721 1.00 0.00 H new ATOM 0 HD22 LEU A 435 33.807 6.165 -24.948 1.00 0.00 H new ATOM 0 HD23 LEU A 435 35.316 6.670 -25.745 1.00 0.00 H new ATOM 1236 N ASN A 436 38.823 3.358 -25.005 1.00 0.00 N ATOM 1237 CA ASN A 436 39.928 3.326 -25.956 1.00 0.00 C ATOM 1238 C ASN A 436 40.256 1.892 -26.360 1.00 0.00 C ATOM 1239 O ASN A 436 40.567 1.617 -27.518 1.00 0.00 O ATOM 1240 CB ASN A 436 41.166 3.995 -25.355 1.00 0.00 C ATOM 1241 CG ASN A 436 42.433 3.653 -26.115 1.00 0.00 C ATOM 1242 OD1 ASN A 436 42.787 4.321 -27.086 1.00 0.00 O ATOM 1243 ND2 ASN A 436 43.123 2.608 -25.673 1.00 0.00 N ATOM 0 H ASN A 436 39.070 3.721 -24.084 1.00 0.00 H new ATOM 0 HA ASN A 436 39.624 3.875 -26.847 1.00 0.00 H new ATOM 0 HB2 ASN A 436 41.027 5.076 -25.353 1.00 0.00 H new ATOM 0 HB3 ASN A 436 41.274 3.686 -24.315 1.00 0.00 H new ATOM 0 HD21 ASN A 436 43.985 2.330 -26.143 1.00 0.00 H new ATOM 0 HD22 ASN A 436 42.791 2.083 -24.864 1.00 0.00 H new ATOM 1250 N GLY A 437 40.185 0.980 -25.395 1.00 0.00 N ATOM 1251 CA GLY A 437 40.476 -0.415 -25.669 1.00 0.00 C ATOM 1252 C GLY A 437 39.336 -1.117 -26.378 1.00 0.00 C ATOM 1253 O GLY A 437 39.559 -2.013 -27.193 1.00 0.00 O ATOM 0 H GLY A 437 39.931 1.183 -24.428 1.00 0.00 H new ATOM 0 HA2 GLY A 437 41.376 -0.482 -26.280 1.00 0.00 H new ATOM 0 HA3 GLY A 437 40.688 -0.929 -24.732 1.00 0.00 H new ATOM 1257 N HIS A 438 38.108 -0.712 -26.067 1.00 0.00 N ATOM 1258 CA HIS A 438 36.927 -1.310 -26.680 1.00 0.00 C ATOM 1259 C HIS A 438 36.941 -1.111 -28.193 1.00 0.00 C ATOM 1260 O HIS A 438 36.601 -2.020 -28.951 1.00 0.00 O ATOM 1261 CB HIS A 438 35.656 -0.704 -26.086 1.00 0.00 C ATOM 1262 CG HIS A 438 34.414 -1.050 -26.848 1.00 0.00 C ATOM 1263 ND1 HIS A 438 33.538 -2.038 -26.450 1.00 0.00 N ATOM 1264 CD2 HIS A 438 33.902 -0.533 -27.989 1.00 0.00 C ATOM 1265 CE1 HIS A 438 32.542 -2.115 -27.315 1.00 0.00 C ATOM 1266 NE2 HIS A 438 32.739 -1.211 -28.258 1.00 0.00 N ATOM 0 H HIS A 438 37.905 0.028 -25.394 1.00 0.00 H new ATOM 0 HA HIS A 438 36.942 -2.380 -26.472 1.00 0.00 H new ATOM 0 HB2 HIS A 438 35.548 -1.045 -25.057 1.00 0.00 H new ATOM 0 HB3 HIS A 438 35.762 0.380 -26.053 1.00 0.00 H new ATOM 0 HD1 HIS A 438 33.643 -2.619 -25.618 1.00 0.00 H new ATOM 0 HD2 HIS A 438 34.329 0.265 -28.579 1.00 0.00 H new ATOM 0 HE1 HIS A 438 31.709 -2.800 -27.260 1.00 0.00 H new ATOM 1274 N ILE A 439 37.335 0.082 -28.624 1.00 0.00 N ATOM 1275 CA ILE A 439 37.392 0.399 -30.046 1.00 0.00 C ATOM 1276 C ILE A 439 38.228 -0.627 -30.804 1.00 0.00 C ATOM 1277 O ILE A 439 37.862 -1.055 -31.899 1.00 0.00 O ATOM 1278 CB ILE A 439 37.980 1.802 -30.287 1.00 0.00 C ATOM 1279 CG1 ILE A 439 37.129 2.862 -29.583 1.00 0.00 C ATOM 1280 CG2 ILE A 439 38.068 2.090 -31.778 1.00 0.00 C ATOM 1281 CD1 ILE A 439 37.946 3.942 -28.909 1.00 0.00 C ATOM 0 H ILE A 439 37.619 0.845 -28.010 1.00 0.00 H new ATOM 0 HA ILE A 439 36.367 0.375 -30.416 1.00 0.00 H new ATOM 0 HB ILE A 439 38.987 1.835 -29.871 1.00 0.00 H new ATOM 0 HG12 ILE A 439 36.462 3.323 -30.311 1.00 0.00 H new ATOM 0 HG13 ILE A 439 36.500 2.375 -28.838 1.00 0.00 H new ATOM 0 HG21 ILE A 439 38.485 3.085 -31.932 1.00 0.00 H new ATOM 0 HG22 ILE A 439 38.710 1.349 -32.254 1.00 0.00 H new ATOM 0 HG23 ILE A 439 37.072 2.042 -32.217 1.00 0.00 H new ATOM 0 HD11 ILE A 439 37.278 4.658 -28.431 1.00 0.00 H new ATOM 0 HD12 ILE A 439 38.594 3.492 -28.157 1.00 0.00 H new ATOM 0 HD13 ILE A 439 38.556 4.455 -29.653 1.00 0.00 H new ATOM 1293 N LYS A 440 39.352 -1.018 -30.214 1.00 0.00 N ATOM 1294 CA LYS A 440 40.240 -1.996 -30.832 1.00 0.00 C ATOM 1295 C LYS A 440 39.878 -3.412 -30.395 1.00 0.00 C ATOM 1296 O LYS A 440 40.398 -4.389 -30.933 1.00 0.00 O ATOM 1297 CB LYS A 440 41.696 -1.696 -30.467 1.00 0.00 C ATOM 1298 CG LYS A 440 42.682 -2.034 -31.571 1.00 0.00 C ATOM 1299 CD LYS A 440 43.813 -1.022 -31.638 1.00 0.00 C ATOM 1300 CE LYS A 440 45.162 -1.704 -31.814 1.00 0.00 C ATOM 1301 NZ LYS A 440 45.596 -1.715 -33.238 1.00 0.00 N ATOM 0 H LYS A 440 39.670 -0.673 -29.308 1.00 0.00 H new ATOM 0 HA LYS A 440 40.120 -1.926 -31.913 1.00 0.00 H new ATOM 0 HB2 LYS A 440 41.789 -0.639 -30.219 1.00 0.00 H new ATOM 0 HB3 LYS A 440 41.960 -2.258 -29.571 1.00 0.00 H new ATOM 0 HG2 LYS A 440 43.093 -3.029 -31.401 1.00 0.00 H new ATOM 0 HG3 LYS A 440 42.162 -2.063 -32.528 1.00 0.00 H new ATOM 0 HD2 LYS A 440 43.640 -0.336 -32.467 1.00 0.00 H new ATOM 0 HD3 LYS A 440 43.822 -0.424 -30.726 1.00 0.00 H new ATOM 0 HE2 LYS A 440 45.910 -1.190 -31.210 1.00 0.00 H new ATOM 0 HE3 LYS A 440 45.102 -2.728 -31.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 46.519 -2.188 -33.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 44.895 -2.227 -33.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 45.678 -0.738 -33.584 1.00 0.00 H new ATOM 1315 N GLN A 441 38.982 -3.514 -29.419 1.00 0.00 N ATOM 1316 CA GLN A 441 38.550 -4.811 -28.912 1.00 0.00 C ATOM 1317 C GLN A 441 37.526 -5.448 -29.846 1.00 0.00 C ATOM 1318 O GLN A 441 37.652 -6.614 -30.220 1.00 0.00 O ATOM 1319 CB GLN A 441 37.955 -4.662 -27.510 1.00 0.00 C ATOM 1320 CG GLN A 441 37.596 -5.987 -26.857 1.00 0.00 C ATOM 1321 CD GLN A 441 37.842 -5.987 -25.361 1.00 0.00 C ATOM 1322 OE1 GLN A 441 36.918 -5.802 -24.569 1.00 0.00 O ATOM 1323 NE2 GLN A 441 39.093 -6.193 -24.967 1.00 0.00 N ATOM 0 H GLN A 441 38.541 -2.715 -28.964 1.00 0.00 H new ATOM 0 HA GLN A 441 39.423 -5.462 -28.862 1.00 0.00 H new ATOM 0 HB2 GLN A 441 38.668 -4.135 -26.876 1.00 0.00 H new ATOM 0 HB3 GLN A 441 37.061 -4.041 -27.568 1.00 0.00 H new ATOM 0 HG2 GLN A 441 36.546 -6.209 -27.049 1.00 0.00 H new ATOM 0 HG3 GLN A 441 38.180 -6.784 -27.317 1.00 0.00 H new ATOM 0 HE21 GLN A 441 39.828 -6.342 -25.659 1.00 0.00 H new ATOM 0 HE22 GLN A 441 39.319 -6.202 -23.973 1.00 0.00 H new ATOM 1332 N VAL A 442 36.512 -4.674 -30.220 1.00 0.00 N ATOM 1333 CA VAL A 442 35.466 -5.162 -31.111 1.00 0.00 C ATOM 1334 C VAL A 442 35.575 -4.518 -32.489 1.00 0.00 C ATOM 1335 O VAL A 442 35.593 -5.209 -33.509 1.00 0.00 O ATOM 1336 CB VAL A 442 34.064 -4.885 -30.537 1.00 0.00 C ATOM 1337 CG1 VAL A 442 32.989 -5.407 -31.478 1.00 0.00 C ATOM 1338 CG2 VAL A 442 33.923 -5.507 -29.156 1.00 0.00 C ATOM 0 H VAL A 442 36.393 -3.707 -29.920 1.00 0.00 H new ATOM 0 HA VAL A 442 35.606 -6.239 -31.203 1.00 0.00 H new ATOM 0 HB VAL A 442 33.936 -3.807 -30.440 1.00 0.00 H new ATOM 0 HG11 VAL A 442 32.005 -5.202 -31.056 1.00 0.00 H new ATOM 0 HG12 VAL A 442 33.079 -4.911 -32.444 1.00 0.00 H new ATOM 0 HG13 VAL A 442 33.111 -6.482 -31.609 1.00 0.00 H new ATOM 0 HG21 VAL A 442 32.927 -5.302 -28.765 1.00 0.00 H new ATOM 0 HG22 VAL A 442 34.071 -6.585 -29.226 1.00 0.00 H new ATOM 0 HG23 VAL A 442 34.670 -5.081 -28.487 1.00 0.00 H new ATOM 1348 N HIS A 443 35.647 -3.191 -32.513 1.00 0.00 N ATOM 1349 CA HIS A 443 35.755 -2.453 -33.766 1.00 0.00 C ATOM 1350 C HIS A 443 37.201 -2.418 -34.253 1.00 0.00 C ATOM 1351 O HIS A 443 37.766 -1.347 -34.473 1.00 0.00 O ATOM 1352 CB HIS A 443 35.229 -1.029 -33.591 1.00 0.00 C ATOM 1353 CG HIS A 443 33.926 -0.958 -32.856 1.00 0.00 C ATOM 1354 ND1 HIS A 443 32.748 -1.466 -33.363 1.00 0.00 N ATOM 1355 CD2 HIS A 443 33.619 -0.436 -31.646 1.00 0.00 C ATOM 1356 CE1 HIS A 443 31.773 -1.257 -32.496 1.00 0.00 C ATOM 1357 NE2 HIS A 443 32.275 -0.635 -31.445 1.00 0.00 N ATOM 0 H HIS A 443 35.632 -2.605 -31.678 1.00 0.00 H new ATOM 0 HA HIS A 443 35.150 -2.966 -34.514 1.00 0.00 H new ATOM 0 HB2 HIS A 443 35.972 -0.439 -33.054 1.00 0.00 H new ATOM 0 HB3 HIS A 443 35.108 -0.572 -34.573 1.00 0.00 H new ATOM 0 HD1 HIS A 443 32.646 -1.930 -34.266 1.00 0.00 H new ATOM 0 HD2 HIS A 443 34.304 0.047 -30.965 1.00 0.00 H new ATOM 0 HE1 HIS A 443 30.740 -1.546 -32.625 1.00 0.00 H new