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 -160:sc= 0.335 USER MOD Set 1.2: A 424 SER OG : rot 150:sc= -0.42 USER MOD Set 1.3: A 425 CYS SG : rot 180:sc= 0.0698 USER MOD Set 1.4: A 438 HIS : no HD1:sc= -0.469 K(o=-1.6,f=-4.1) USER MOD Set 1.5: A 443 HIS : no HE2:sc= -1.14 K(o=-1.6,f=-0.8) USER MOD Set 2.1: A 392 CYS SG : rot -151:sc= -0.299 USER MOD Set 2.2: A 395 CYS SG : rot 140:sc= 0.725 USER MOD Set 2.3: A 408 HIS : no HE2:sc= 0.208 K(o=0.049,f=-4) USER MOD Set 2.4: A 412 HIS : no HE2:sc= -0.585 K(o=0.049,f=-7.6!) USER MOD Set 3.1: A 364 CYS SG : rot -156:sc= 0.0314 USER MOD Set 3.2: A 367 CYS SG : rot -132:sc= 0.419 USER MOD Set 3.3: A 380 HIS : no HE2:sc= 0.145 K(o=0.6,f=-0.32) 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 HE2:sc= 0.273 K(o=0.27,f=-1.3) 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 180:sc= 0 USER MOD Single : A 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.00105) USER MOD Single : A 405 MET CE :methyl -154:sc= -1.68 (180deg=-2.59!) 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 X(o=0,f=0) USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 434 HIS : no HD1:sc= -0.662 K(o=-0.66,f=-0.091) USER MOD Single : A 436 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.0033) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 GLN : amide:sc= -0.0219 X(o=-0.022,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 362 -12.243 -22.043 -19.298 1.00 0.00 N ATOM 67 CA VAL A 362 -11.158 -21.272 -18.703 1.00 0.00 C ATOM 68 C VAL A 362 -11.680 -20.326 -17.628 1.00 0.00 C ATOM 69 O VAL A 362 -12.865 -19.994 -17.602 1.00 0.00 O ATOM 70 CB VAL A 362 -10.402 -20.455 -19.767 1.00 0.00 C ATOM 71 CG1 VAL A 362 -9.687 -21.378 -20.742 1.00 0.00 C ATOM 72 CG2 VAL A 362 -11.356 -19.526 -20.502 1.00 0.00 C ATOM 0 HA VAL A 362 -10.473 -21.988 -18.250 1.00 0.00 H new ATOM 0 HB VAL A 362 -9.651 -19.845 -19.265 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -9.159 -20.782 -21.486 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -8.973 -21.998 -20.199 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -10.417 -22.017 -21.240 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -10.805 -18.956 -21.250 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -12.131 -20.115 -20.993 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -11.817 -18.840 -19.791 1.00 0.00 H new ATOM 82 N ALA A 363 -10.788 -19.896 -16.742 1.00 0.00 N ATOM 83 CA ALA A 363 -11.159 -18.986 -15.665 1.00 0.00 C ATOM 84 C ALA A 363 -10.198 -17.804 -15.591 1.00 0.00 C ATOM 85 O ALA A 363 -8.981 -17.982 -15.538 1.00 0.00 O ATOM 86 CB ALA A 363 -11.192 -19.726 -14.336 1.00 0.00 C ATOM 0 H ALA A 363 -9.804 -20.163 -16.749 1.00 0.00 H new ATOM 0 HA ALA A 363 -12.156 -18.598 -15.877 1.00 0.00 H new ATOM 0 HB1 ALA A 363 -11.470 -19.034 -13.541 1.00 0.00 H new ATOM 0 HB2 ALA A 363 -11.923 -20.533 -14.387 1.00 0.00 H new ATOM 0 HB3 ALA A 363 -10.206 -20.142 -14.126 1.00 0.00 H new ATOM 92 N CYS A 364 -10.753 -16.596 -15.587 1.00 0.00 N ATOM 93 CA CYS A 364 -9.946 -15.384 -15.520 1.00 0.00 C ATOM 94 C CYS A 364 -9.122 -15.349 -14.236 1.00 0.00 C ATOM 95 O CYS A 364 -9.636 -15.613 -13.150 1.00 0.00 O ATOM 96 CB CYS A 364 -10.842 -14.145 -15.598 1.00 0.00 C ATOM 97 SG CYS A 364 -10.072 -12.723 -16.437 1.00 0.00 S ATOM 0 H CYS A 364 -11.759 -16.431 -15.629 1.00 0.00 H new ATOM 0 HA CYS A 364 -9.263 -15.385 -16.369 1.00 0.00 H new ATOM 0 HB2 CYS A 364 -11.762 -14.407 -16.121 1.00 0.00 H new ATOM 0 HB3 CYS A 364 -11.123 -13.849 -14.587 1.00 0.00 H new ATOM 0 HG CYS A 364 -10.641 -11.624 -16.039 1.00 0.00 H new ATOM 102 N GLU A 365 -7.841 -15.021 -14.371 1.00 0.00 N ATOM 103 CA GLU A 365 -6.946 -14.952 -13.222 1.00 0.00 C ATOM 104 C GLU A 365 -6.802 -13.515 -12.729 1.00 0.00 C ATOM 105 O GLU A 365 -5.763 -13.134 -12.188 1.00 0.00 O ATOM 106 CB GLU A 365 -5.571 -15.519 -13.583 1.00 0.00 C ATOM 107 CG GLU A 365 -4.824 -14.692 -14.616 1.00 0.00 C ATOM 108 CD GLU A 365 -3.620 -15.417 -15.185 1.00 0.00 C ATOM 109 OE1 GLU A 365 -3.671 -16.661 -15.288 1.00 0.00 O ATOM 110 OE2 GLU A 365 -2.627 -14.741 -15.526 1.00 0.00 O ATOM 0 H GLU A 365 -7.400 -14.799 -15.264 1.00 0.00 H new ATOM 0 HA GLU A 365 -7.379 -15.551 -12.421 1.00 0.00 H new ATOM 0 HB2 GLU A 365 -4.967 -15.587 -12.678 1.00 0.00 H new ATOM 0 HB3 GLU A 365 -5.694 -16.534 -13.962 1.00 0.00 H new ATOM 0 HG2 GLU A 365 -5.503 -14.432 -15.428 1.00 0.00 H new ATOM 0 HG3 GLU A 365 -4.498 -13.757 -14.161 1.00 0.00 H new ATOM 117 N ILE A 366 -7.850 -12.722 -12.922 1.00 0.00 N ATOM 118 CA ILE A 366 -7.841 -11.327 -12.497 1.00 0.00 C ATOM 119 C ILE A 366 -9.134 -10.964 -11.775 1.00 0.00 C ATOM 120 O ILE A 366 -9.115 -10.295 -10.742 1.00 0.00 O ATOM 121 CB ILE A 366 -7.649 -10.376 -13.693 1.00 0.00 C ATOM 122 CG1 ILE A 366 -6.381 -10.743 -14.466 1.00 0.00 C ATOM 123 CG2 ILE A 366 -7.586 -8.933 -13.217 1.00 0.00 C ATOM 124 CD1 ILE A 366 -6.654 -11.298 -15.847 1.00 0.00 C ATOM 0 H ILE A 366 -8.716 -13.021 -13.370 1.00 0.00 H new ATOM 0 HA ILE A 366 -7.001 -11.211 -11.812 1.00 0.00 H new ATOM 0 HB ILE A 366 -8.503 -10.481 -14.362 1.00 0.00 H new ATOM 0 HG12 ILE A 366 -5.752 -9.858 -14.557 1.00 0.00 H new ATOM 0 HG13 ILE A 366 -5.816 -11.478 -13.893 1.00 0.00 H new ATOM 0 HG21 ILE A 366 -7.450 -8.273 -14.074 1.00 0.00 H new ATOM 0 HG22 ILE A 366 -8.514 -8.678 -12.706 1.00 0.00 H new ATOM 0 HG23 ILE A 366 -6.748 -8.813 -12.530 1.00 0.00 H new ATOM 0 HD11 ILE A 366 -5.710 -11.536 -16.337 1.00 0.00 H new ATOM 0 HD12 ILE A 366 -7.257 -12.202 -15.763 1.00 0.00 H new ATOM 0 HD13 ILE A 366 -7.192 -10.556 -16.437 1.00 0.00 H new ATOM 136 N CYS A 367 -10.258 -11.411 -12.326 1.00 0.00 N ATOM 137 CA CYS A 367 -11.562 -11.135 -11.735 1.00 0.00 C ATOM 138 C CYS A 367 -12.241 -12.426 -11.287 1.00 0.00 C ATOM 139 O CYS A 367 -13.054 -12.425 -10.364 1.00 0.00 O ATOM 140 CB CYS A 367 -12.453 -10.398 -12.737 1.00 0.00 C ATOM 141 SG CYS A 367 -12.682 -11.276 -14.316 1.00 0.00 S ATOM 0 H CYS A 367 -10.292 -11.966 -13.181 1.00 0.00 H new ATOM 0 HA CYS A 367 -11.410 -10.503 -10.860 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -13.429 -10.229 -12.283 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -12.021 -9.418 -12.938 1.00 0.00 H new ATOM 0 HG CYS A 367 -12.489 -10.452 -15.303 1.00 0.00 H new ATOM 146 N GLY A 368 -11.900 -13.528 -11.950 1.00 0.00 N ATOM 147 CA GLY A 368 -12.485 -14.810 -11.606 1.00 0.00 C ATOM 148 C GLY A 368 -13.728 -15.117 -12.419 1.00 0.00 C ATOM 149 O GLY A 368 -14.686 -15.697 -11.907 1.00 0.00 O ATOM 0 H GLY A 368 -11.230 -13.555 -12.718 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -11.747 -15.597 -11.764 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -12.737 -14.818 -10.546 1.00 0.00 H new ATOM 153 N LYS A 369 -13.714 -14.727 -13.688 1.00 0.00 N ATOM 154 CA LYS A 369 -14.848 -14.962 -14.574 1.00 0.00 C ATOM 155 C LYS A 369 -14.587 -16.157 -15.485 1.00 0.00 C ATOM 156 O LYS A 369 -13.506 -16.287 -16.060 1.00 0.00 O ATOM 157 CB LYS A 369 -15.130 -13.717 -15.418 1.00 0.00 C ATOM 158 CG LYS A 369 -15.990 -12.684 -14.709 1.00 0.00 C ATOM 159 CD LYS A 369 -16.018 -11.367 -15.467 1.00 0.00 C ATOM 160 CE LYS A 369 -17.298 -11.217 -16.275 1.00 0.00 C ATOM 161 NZ LYS A 369 -17.099 -11.593 -17.702 1.00 0.00 N ATOM 0 H LYS A 369 -12.929 -14.246 -14.127 1.00 0.00 H new ATOM 0 HA LYS A 369 -15.720 -15.180 -13.957 1.00 0.00 H new ATOM 0 HB2 LYS A 369 -14.183 -13.257 -15.700 1.00 0.00 H new ATOM 0 HB3 LYS A 369 -15.625 -14.018 -16.341 1.00 0.00 H new ATOM 0 HG2 LYS A 369 -17.006 -13.066 -14.603 1.00 0.00 H new ATOM 0 HG3 LYS A 369 -15.605 -12.518 -13.703 1.00 0.00 H new ATOM 0 HD2 LYS A 369 -15.931 -10.539 -14.763 1.00 0.00 H new ATOM 0 HD3 LYS A 369 -15.157 -11.311 -16.133 1.00 0.00 H new ATOM 0 HE2 LYS A 369 -18.078 -11.842 -15.840 1.00 0.00 H new ATOM 0 HE3 LYS A 369 -17.646 -10.186 -16.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 -17.994 -11.477 -18.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 -16.373 -10.980 -18.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 -16.791 -12.585 -17.760 1.00 0.00 H new ATOM 175 N ILE A 370 -15.584 -17.027 -15.613 1.00 0.00 N ATOM 176 CA ILE A 370 -15.463 -18.209 -16.457 1.00 0.00 C ATOM 177 C ILE A 370 -15.927 -17.919 -17.880 1.00 0.00 C ATOM 178 O ILE A 370 -16.882 -17.172 -18.093 1.00 0.00 O ATOM 179 CB ILE A 370 -16.277 -19.389 -15.893 1.00 0.00 C ATOM 180 CG1 ILE A 370 -15.849 -19.692 -14.456 1.00 0.00 C ATOM 181 CG2 ILE A 370 -16.107 -20.618 -16.773 1.00 0.00 C ATOM 182 CD1 ILE A 370 -14.394 -20.087 -14.329 1.00 0.00 C ATOM 0 H ILE A 370 -16.484 -16.935 -15.143 1.00 0.00 H new ATOM 0 HA ILE A 370 -14.407 -18.480 -16.471 1.00 0.00 H new ATOM 0 HB ILE A 370 -17.332 -19.114 -15.887 1.00 0.00 H new ATOM 0 HG12 ILE A 370 -16.034 -18.814 -13.838 1.00 0.00 H new ATOM 0 HG13 ILE A 370 -16.471 -20.496 -14.062 1.00 0.00 H new ATOM 0 HG21 ILE A 370 -16.688 -21.443 -16.362 1.00 0.00 H new ATOM 0 HG22 ILE A 370 -16.457 -20.395 -17.781 1.00 0.00 H new ATOM 0 HG23 ILE A 370 -15.054 -20.898 -16.808 1.00 0.00 H new ATOM 0 HD11 ILE A 370 -14.161 -20.287 -13.283 1.00 0.00 H new ATOM 0 HD12 ILE A 370 -14.207 -20.984 -14.920 1.00 0.00 H new ATOM 0 HD13 ILE A 370 -13.764 -19.275 -14.692 1.00 0.00 H new ATOM 194 N PHE A 371 -15.246 -18.517 -18.852 1.00 0.00 N ATOM 195 CA PHE A 371 -15.589 -18.325 -20.256 1.00 0.00 C ATOM 196 C PHE A 371 -15.831 -19.664 -20.946 1.00 0.00 C ATOM 197 O PHE A 371 -15.384 -20.708 -20.471 1.00 0.00 O ATOM 198 CB PHE A 371 -14.475 -17.562 -20.975 1.00 0.00 C ATOM 199 CG PHE A 371 -14.276 -16.165 -20.461 1.00 0.00 C ATOM 200 CD1 PHE A 371 -13.657 -15.942 -19.242 1.00 0.00 C ATOM 201 CD2 PHE A 371 -14.709 -15.074 -21.197 1.00 0.00 C ATOM 202 CE1 PHE A 371 -13.473 -14.658 -18.766 1.00 0.00 C ATOM 203 CE2 PHE A 371 -14.527 -13.787 -20.727 1.00 0.00 C ATOM 204 CZ PHE A 371 -13.909 -13.579 -19.509 1.00 0.00 C ATOM 0 H PHE A 371 -14.453 -19.139 -18.693 1.00 0.00 H new ATOM 0 HA PHE A 371 -16.509 -17.742 -20.302 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -13.541 -18.115 -20.871 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -14.704 -17.520 -22.040 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -13.314 -16.782 -18.656 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -15.194 -15.231 -22.149 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -12.989 -14.499 -17.814 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -14.868 -12.945 -21.311 1.00 0.00 H new ATOM 0 HZ PHE A 371 -13.767 -12.574 -19.139 1.00 0.00 H new ATOM 214 N ARG A 372 -16.543 -19.625 -22.067 1.00 0.00 N ATOM 215 CA ARG A 372 -16.846 -20.835 -22.822 1.00 0.00 C ATOM 216 C ARG A 372 -15.696 -21.195 -23.758 1.00 0.00 C ATOM 217 O ARG A 372 -15.500 -22.363 -24.096 1.00 0.00 O ATOM 218 CB ARG A 372 -18.134 -20.650 -23.627 1.00 0.00 C ATOM 219 CG ARG A 372 -18.093 -19.465 -24.577 1.00 0.00 C ATOM 220 CD ARG A 372 -19.222 -19.527 -25.595 1.00 0.00 C ATOM 221 NE ARG A 372 -19.606 -18.200 -26.068 1.00 0.00 N ATOM 222 CZ ARG A 372 -20.349 -17.355 -25.362 1.00 0.00 C ATOM 223 NH1 ARG A 372 -20.785 -17.697 -24.157 1.00 0.00 N ATOM 224 NH2 ARG A 372 -20.657 -16.164 -25.861 1.00 0.00 N ATOM 0 H ARG A 372 -16.921 -18.769 -22.473 1.00 0.00 H new ATOM 0 HA ARG A 372 -16.983 -21.651 -22.112 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -18.328 -21.557 -24.199 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -18.969 -20.523 -22.937 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -18.166 -18.538 -24.008 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -17.135 -19.446 -25.096 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -18.913 -20.138 -26.443 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -20.087 -20.017 -25.148 1.00 0.00 H new ATOM 0 HE ARG A 372 -19.286 -17.906 -26.991 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -20.550 -18.611 -23.770 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -21.355 -17.046 -23.617 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -20.323 -15.897 -26.787 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -21.228 -15.516 -25.318 1.00 0.00 H new ATOM 238 N ASP A 373 -14.939 -20.185 -24.172 1.00 0.00 N ATOM 239 CA ASP A 373 -13.808 -20.395 -25.069 1.00 0.00 C ATOM 240 C ASP A 373 -12.606 -19.565 -24.630 1.00 0.00 C ATOM 241 O ASP A 373 -12.648 -18.886 -23.604 1.00 0.00 O ATOM 242 CB ASP A 373 -14.195 -20.037 -26.504 1.00 0.00 C ATOM 243 CG ASP A 373 -15.086 -21.084 -27.143 1.00 0.00 C ATOM 244 OD1 ASP A 373 -14.576 -22.174 -27.475 1.00 0.00 O ATOM 245 OD2 ASP A 373 -16.294 -20.812 -27.311 1.00 0.00 O ATOM 0 H ASP A 373 -15.088 -19.213 -23.901 1.00 0.00 H new ATOM 0 HA ASP A 373 -13.533 -21.449 -25.028 1.00 0.00 H new ATOM 0 HB2 ASP A 373 -14.708 -19.075 -26.509 1.00 0.00 H new ATOM 0 HB3 ASP A 373 -13.291 -19.919 -27.102 1.00 0.00 H new ATOM 250 N VAL A 374 -11.534 -19.626 -25.413 1.00 0.00 N ATOM 251 CA VAL A 374 -10.319 -18.881 -25.106 1.00 0.00 C ATOM 252 C VAL A 374 -10.345 -17.499 -25.749 1.00 0.00 C ATOM 253 O VAL A 374 -9.769 -16.546 -25.222 1.00 0.00 O ATOM 254 CB VAL A 374 -9.063 -19.633 -25.582 1.00 0.00 C ATOM 255 CG1 VAL A 374 -9.018 -21.031 -24.984 1.00 0.00 C ATOM 256 CG2 VAL A 374 -9.022 -19.693 -27.102 1.00 0.00 C ATOM 0 H VAL A 374 -11.482 -20.184 -26.265 1.00 0.00 H new ATOM 0 HA VAL A 374 -10.279 -18.774 -24.022 1.00 0.00 H new ATOM 0 HB VAL A 374 -8.183 -19.089 -25.239 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -8.123 -21.547 -25.332 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -8.997 -20.961 -23.896 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -9.902 -21.588 -25.294 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.128 -20.228 -27.421 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -9.906 -20.213 -27.470 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -9.003 -18.681 -27.506 1.00 0.00 H new ATOM 266 N TYR A 375 -11.017 -17.396 -26.890 1.00 0.00 N ATOM 267 CA TYR A 375 -11.117 -16.130 -27.607 1.00 0.00 C ATOM 268 C TYR A 375 -11.892 -15.101 -26.789 1.00 0.00 C ATOM 269 O TYR A 375 -11.488 -13.942 -26.685 1.00 0.00 O ATOM 270 CB TYR A 375 -11.797 -16.339 -28.961 1.00 0.00 C ATOM 271 CG TYR A 375 -11.280 -17.541 -29.719 1.00 0.00 C ATOM 272 CD1 TYR A 375 -9.921 -17.825 -29.764 1.00 0.00 C ATOM 273 CD2 TYR A 375 -12.150 -18.390 -30.391 1.00 0.00 C ATOM 274 CE1 TYR A 375 -9.444 -18.921 -30.457 1.00 0.00 C ATOM 275 CE2 TYR A 375 -11.682 -19.490 -31.084 1.00 0.00 C ATOM 276 CZ TYR A 375 -10.328 -19.751 -31.114 1.00 0.00 C ATOM 277 OH TYR A 375 -9.857 -20.844 -31.805 1.00 0.00 O ATOM 0 H TYR A 375 -11.501 -18.174 -27.339 1.00 0.00 H new ATOM 0 HA TYR A 375 -10.107 -15.753 -27.770 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -12.870 -16.452 -28.806 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -11.655 -15.447 -29.571 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -9.226 -17.179 -29.249 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -13.211 -18.187 -30.372 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -8.384 -19.127 -30.484 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -12.372 -20.142 -31.599 1.00 0.00 H new ATOM 0 HH TYR A 375 -10.609 -21.324 -32.210 1.00 0.00 H new ATOM 287 N HIS A 376 -13.007 -15.533 -26.210 1.00 0.00 N ATOM 288 CA HIS A 376 -13.840 -14.650 -25.400 1.00 0.00 C ATOM 289 C HIS A 376 -13.073 -14.151 -24.179 1.00 0.00 C ATOM 290 O HIS A 376 -13.370 -13.083 -23.641 1.00 0.00 O ATOM 291 CB HIS A 376 -15.110 -15.377 -24.957 1.00 0.00 C ATOM 292 CG HIS A 376 -16.264 -14.460 -24.694 1.00 0.00 C ATOM 293 ND1 HIS A 376 -16.116 -13.105 -24.482 1.00 0.00 N ATOM 294 CD2 HIS A 376 -17.592 -14.708 -24.610 1.00 0.00 C ATOM 295 CE1 HIS A 376 -17.302 -12.561 -24.278 1.00 0.00 C ATOM 296 NE2 HIS A 376 -18.215 -13.512 -24.351 1.00 0.00 N ATOM 0 H HIS A 376 -13.355 -16.489 -26.286 1.00 0.00 H new ATOM 0 HA HIS A 376 -14.117 -13.790 -26.010 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -15.395 -16.095 -25.726 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -14.896 -15.947 -24.053 1.00 0.00 H new ATOM 0 HD1 HIS A 376 -15.229 -12.602 -24.483 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -18.072 -15.668 -24.725 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -17.493 -11.516 -24.084 1.00 0.00 H new ATOM 304 N LEU A 377 -12.088 -14.929 -23.745 1.00 0.00 N ATOM 305 CA LEU A 377 -11.279 -14.566 -22.587 1.00 0.00 C ATOM 306 C LEU A 377 -10.169 -13.596 -22.980 1.00 0.00 C ATOM 307 O LEU A 377 -9.742 -12.768 -22.177 1.00 0.00 O ATOM 308 CB LEU A 377 -10.676 -15.818 -21.949 1.00 0.00 C ATOM 309 CG LEU A 377 -9.690 -15.580 -20.805 1.00 0.00 C ATOM 310 CD1 LEU A 377 -10.401 -14.974 -19.604 1.00 0.00 C ATOM 311 CD2 LEU A 377 -8.998 -16.879 -20.418 1.00 0.00 C ATOM 0 H LEU A 377 -11.830 -15.816 -24.178 1.00 0.00 H new ATOM 0 HA LEU A 377 -11.927 -14.073 -21.862 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -11.490 -16.440 -21.577 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -10.169 -16.389 -22.726 1.00 0.00 H new ATOM 0 HG LEU A 377 -8.932 -14.875 -21.146 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -9.683 -14.812 -18.800 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -10.849 -14.022 -19.888 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -11.181 -15.654 -19.262 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -8.300 -16.690 -19.602 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -9.743 -17.607 -20.097 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -8.454 -17.272 -21.277 1.00 0.00 H new ATOM 323 N ASN A 378 -9.709 -13.704 -24.222 1.00 0.00 N ATOM 324 CA ASN A 378 -8.650 -12.836 -24.723 1.00 0.00 C ATOM 325 C ASN A 378 -9.135 -11.393 -24.831 1.00 0.00 C ATOM 326 O ASN A 378 -8.439 -10.462 -24.426 1.00 0.00 O ATOM 327 CB ASN A 378 -8.163 -13.326 -26.088 1.00 0.00 C ATOM 328 CG ASN A 378 -6.736 -12.903 -26.379 1.00 0.00 C ATOM 329 OD1 ASN A 378 -5.787 -13.619 -26.060 1.00 0.00 O ATOM 330 ND2 ASN A 378 -6.578 -11.733 -26.988 1.00 0.00 N ATOM 0 H ASN A 378 -10.053 -14.384 -24.900 1.00 0.00 H new ATOM 0 HA ASN A 378 -7.821 -12.870 -24.016 1.00 0.00 H new ATOM 0 HB2 ASN A 378 -8.232 -14.413 -26.126 1.00 0.00 H new ATOM 0 HB3 ASN A 378 -8.820 -12.937 -26.866 1.00 0.00 H new ATOM 0 HD21 ASN A 378 -5.641 -11.396 -27.209 1.00 0.00 H new ATOM 0 HD22 ASN A 378 -7.393 -11.172 -27.234 1.00 0.00 H new ATOM 337 N ARG A 379 -10.332 -11.217 -25.380 1.00 0.00 N ATOM 338 CA ARG A 379 -10.910 -9.888 -25.543 1.00 0.00 C ATOM 339 C ARG A 379 -11.185 -9.246 -24.186 1.00 0.00 C ATOM 340 O ARG A 379 -11.210 -8.021 -24.062 1.00 0.00 O ATOM 341 CB ARG A 379 -12.205 -9.968 -26.353 1.00 0.00 C ATOM 342 CG ARG A 379 -13.377 -10.541 -25.573 1.00 0.00 C ATOM 343 CD ARG A 379 -14.310 -9.445 -25.083 1.00 0.00 C ATOM 344 NE ARG A 379 -14.826 -9.722 -23.746 1.00 0.00 N ATOM 345 CZ ARG A 379 -15.577 -8.871 -23.056 1.00 0.00 C ATOM 346 NH1 ARG A 379 -15.898 -7.694 -23.576 1.00 0.00 N ATOM 347 NH2 ARG A 379 -16.009 -9.196 -21.845 1.00 0.00 N ATOM 0 H ARG A 379 -10.921 -11.978 -25.720 1.00 0.00 H new ATOM 0 HA ARG A 379 -10.191 -9.269 -26.080 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -12.466 -8.970 -26.704 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -12.033 -10.582 -27.237 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -13.931 -11.236 -26.204 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -13.005 -11.111 -24.722 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -13.779 -8.493 -25.076 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -15.143 -9.340 -25.778 1.00 0.00 H new ATOM 0 HE ARG A 379 -14.597 -10.619 -23.318 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -15.568 -7.441 -24.507 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -16.475 -7.042 -23.045 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -15.765 -10.101 -21.442 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -16.586 -8.541 -21.316 1.00 0.00 H new ATOM 361 N HIS A 380 -11.390 -10.080 -23.173 1.00 0.00 N ATOM 362 CA HIS A 380 -11.663 -9.594 -21.825 1.00 0.00 C ATOM 363 C HIS A 380 -10.368 -9.219 -21.110 1.00 0.00 C ATOM 364 O HIS A 380 -10.291 -8.187 -20.443 1.00 0.00 O ATOM 365 CB HIS A 380 -12.416 -10.653 -21.020 1.00 0.00 C ATOM 366 CG HIS A 380 -12.581 -10.301 -19.573 1.00 0.00 C ATOM 367 ND1 HIS A 380 -13.707 -9.682 -19.073 1.00 0.00 N ATOM 368 CD2 HIS A 380 -11.755 -10.487 -18.517 1.00 0.00 C ATOM 369 CE1 HIS A 380 -13.566 -9.500 -17.773 1.00 0.00 C ATOM 370 NE2 HIS A 380 -12.390 -9.981 -17.410 1.00 0.00 N ATOM 0 H HIS A 380 -11.372 -11.096 -23.259 1.00 0.00 H new ATOM 0 HA HIS A 380 -12.284 -8.702 -21.906 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -13.400 -10.803 -21.463 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -11.884 -11.602 -21.096 1.00 0.00 H new ATOM 0 HD1 HIS A 380 -14.522 -9.408 -19.622 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -10.778 -10.948 -18.541 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -14.289 -9.037 -17.118 1.00 0.00 H new ATOM 378 N LYS A 381 -9.353 -10.064 -21.253 1.00 0.00 N ATOM 379 CA LYS A 381 -8.061 -9.823 -20.622 1.00 0.00 C ATOM 380 C LYS A 381 -7.548 -8.425 -20.951 1.00 0.00 C ATOM 381 O LYS A 381 -6.952 -7.756 -20.106 1.00 0.00 O ATOM 382 CB LYS A 381 -7.044 -10.872 -21.077 1.00 0.00 C ATOM 383 CG LYS A 381 -7.183 -12.204 -20.361 1.00 0.00 C ATOM 384 CD LYS A 381 -6.356 -13.287 -21.034 1.00 0.00 C ATOM 385 CE LYS A 381 -6.020 -14.412 -20.067 1.00 0.00 C ATOM 386 NZ LYS A 381 -4.565 -14.456 -19.752 1.00 0.00 N ATOM 0 H LYS A 381 -9.400 -10.923 -21.801 1.00 0.00 H new ATOM 0 HA LYS A 381 -8.192 -9.898 -19.543 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -7.155 -11.032 -22.149 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -6.038 -10.485 -20.915 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -6.867 -12.095 -19.324 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -8.231 -12.502 -20.345 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -6.905 -13.689 -21.886 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -5.435 -12.854 -21.424 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -6.587 -14.281 -19.146 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -6.327 -15.365 -20.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -4.377 -15.236 -19.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -4.025 -14.607 -20.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -4.276 -13.556 -19.318 1.00 0.00 H new ATOM 400 N LEU A 382 -7.783 -7.989 -22.184 1.00 0.00 N ATOM 401 CA LEU A 382 -7.345 -6.669 -22.625 1.00 0.00 C ATOM 402 C LEU A 382 -7.949 -5.574 -21.751 1.00 0.00 C ATOM 403 O LEU A 382 -7.324 -4.541 -21.511 1.00 0.00 O ATOM 404 CB LEU A 382 -7.734 -6.443 -24.087 1.00 0.00 C ATOM 405 CG LEU A 382 -7.068 -7.364 -25.109 1.00 0.00 C ATOM 406 CD1 LEU A 382 -7.805 -7.308 -26.438 1.00 0.00 C ATOM 407 CD2 LEU A 382 -5.605 -6.988 -25.292 1.00 0.00 C ATOM 0 H LEU A 382 -8.274 -8.530 -22.896 1.00 0.00 H new ATOM 0 HA LEU A 382 -6.260 -6.624 -22.533 1.00 0.00 H new ATOM 0 HB2 LEU A 382 -8.814 -6.556 -24.176 1.00 0.00 H new ATOM 0 HB3 LEU A 382 -7.498 -5.412 -24.349 1.00 0.00 H new ATOM 0 HG LEU A 382 -7.115 -8.386 -24.734 1.00 0.00 H new ATOM 0 HD11 LEU A 382 -7.317 -7.970 -27.153 1.00 0.00 H new ATOM 0 HD12 LEU A 382 -8.838 -7.627 -26.295 1.00 0.00 H new ATOM 0 HD13 LEU A 382 -7.790 -6.287 -26.820 1.00 0.00 H new ATOM 0 HD21 LEU A 382 -5.147 -7.654 -26.023 1.00 0.00 H new ATOM 0 HD22 LEU A 382 -5.535 -5.959 -25.645 1.00 0.00 H new ATOM 0 HD23 LEU A 382 -5.084 -7.081 -24.339 1.00 0.00 H new ATOM 480 N LYS A 388 -1.092 2.821 -15.782 1.00 0.00 N ATOM 481 CA LYS A 388 0.358 2.809 -15.636 1.00 0.00 C ATOM 482 C LYS A 388 1.037 3.311 -16.906 1.00 0.00 C ATOM 483 O LYS A 388 0.455 3.311 -17.991 1.00 0.00 O ATOM 484 CB LYS A 388 0.847 1.397 -15.308 1.00 0.00 C ATOM 485 CG LYS A 388 0.023 0.301 -15.962 1.00 0.00 C ATOM 486 CD LYS A 388 0.810 -0.993 -16.080 1.00 0.00 C ATOM 487 CE LYS A 388 0.552 -1.913 -14.896 1.00 0.00 C ATOM 488 NZ LYS A 388 0.170 -3.284 -15.332 1.00 0.00 N ATOM 0 HA LYS A 388 0.621 3.477 -14.816 1.00 0.00 H new ATOM 0 HB2 LYS A 388 1.885 1.298 -15.625 1.00 0.00 H new ATOM 0 HB3 LYS A 388 0.830 1.257 -14.227 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -0.881 0.126 -15.378 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -0.295 0.626 -16.953 1.00 0.00 H new ATOM 0 HD2 LYS A 388 0.538 -1.503 -17.004 1.00 0.00 H new ATOM 0 HD3 LYS A 388 1.875 -0.768 -16.142 1.00 0.00 H new ATOM 0 HE2 LYS A 388 1.446 -1.965 -14.275 1.00 0.00 H new ATOM 0 HE3 LYS A 388 -0.242 -1.494 -14.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 0.003 -3.880 -14.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -0.698 -3.237 -15.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 0.938 -3.694 -15.901 1.00 0.00 H new ATOM 502 N PRO A 389 2.299 3.747 -16.771 1.00 0.00 N ATOM 503 CA PRO A 389 3.001 3.752 -15.485 1.00 0.00 C ATOM 504 C PRO A 389 2.436 4.787 -14.519 1.00 0.00 C ATOM 505 O PRO A 389 2.171 4.486 -13.355 1.00 0.00 O ATOM 506 CB PRO A 389 4.440 4.107 -15.868 1.00 0.00 C ATOM 507 CG PRO A 389 4.316 4.862 -17.146 1.00 0.00 C ATOM 508 CD PRO A 389 3.135 4.270 -17.864 1.00 0.00 C ATOM 0 HA PRO A 389 2.906 2.798 -14.966 1.00 0.00 H new ATOM 0 HB2 PRO A 389 4.918 4.711 -15.096 1.00 0.00 H new ATOM 0 HB3 PRO A 389 5.048 3.212 -15.995 1.00 0.00 H new ATOM 0 HG2 PRO A 389 4.166 5.925 -16.958 1.00 0.00 H new ATOM 0 HG3 PRO A 389 5.223 4.769 -17.744 1.00 0.00 H new ATOM 0 HD2 PRO A 389 2.605 5.019 -18.452 1.00 0.00 H new ATOM 0 HD3 PRO A 389 3.437 3.480 -18.552 1.00 0.00 H new ATOM 516 N TYR A 390 2.253 6.008 -15.009 1.00 0.00 N ATOM 517 CA TYR A 390 1.720 7.089 -14.188 1.00 0.00 C ATOM 518 C TYR A 390 0.351 7.534 -14.694 1.00 0.00 C ATOM 519 O TYR A 390 0.251 8.340 -15.620 1.00 0.00 O ATOM 520 CB TYR A 390 2.685 8.277 -14.183 1.00 0.00 C ATOM 521 CG TYR A 390 4.129 7.883 -13.966 1.00 0.00 C ATOM 522 CD1 TYR A 390 4.630 7.687 -12.685 1.00 0.00 C ATOM 523 CD2 TYR A 390 4.991 7.708 -15.041 1.00 0.00 C ATOM 524 CE1 TYR A 390 5.949 7.328 -12.482 1.00 0.00 C ATOM 525 CE2 TYR A 390 6.310 7.348 -14.847 1.00 0.00 C ATOM 526 CZ TYR A 390 6.785 7.159 -13.566 1.00 0.00 C ATOM 527 OH TYR A 390 8.099 6.802 -13.369 1.00 0.00 O ATOM 0 H TYR A 390 2.466 6.274 -15.970 1.00 0.00 H new ATOM 0 HA TYR A 390 1.607 6.716 -13.170 1.00 0.00 H new ATOM 0 HB2 TYR A 390 2.600 8.807 -15.132 1.00 0.00 H new ATOM 0 HB3 TYR A 390 2.386 8.974 -13.400 1.00 0.00 H new ATOM 0 HD1 TYR A 390 3.978 7.817 -11.834 1.00 0.00 H new ATOM 0 HD2 TYR A 390 4.623 7.856 -16.046 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.323 7.181 -11.480 1.00 0.00 H new ATOM 0 HE2 TYR A 390 6.966 7.215 -15.694 1.00 0.00 H new ATOM 0 HH TYR A 390 8.550 6.723 -14.235 1.00 0.00 H new ATOM 537 N SER A 391 -0.701 7.003 -14.079 1.00 0.00 N ATOM 538 CA SER A 391 -2.065 7.342 -14.468 1.00 0.00 C ATOM 539 C SER A 391 -2.771 8.111 -13.356 1.00 0.00 C ATOM 540 O SER A 391 -2.414 7.998 -12.183 1.00 0.00 O ATOM 541 CB SER A 391 -2.851 6.073 -14.806 1.00 0.00 C ATOM 542 OG SER A 391 -2.775 5.130 -13.751 1.00 0.00 O ATOM 0 H SER A 391 -0.635 6.337 -13.310 1.00 0.00 H new ATOM 0 HA SER A 391 -2.018 7.978 -15.352 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.894 6.327 -14.996 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.458 5.631 -15.722 1.00 0.00 H new ATOM 0 HG SER A 391 -3.286 4.329 -13.991 1.00 0.00 H new ATOM 548 N CYS A 392 -3.777 8.893 -13.733 1.00 0.00 N ATOM 549 CA CYS A 392 -4.535 9.683 -12.770 1.00 0.00 C ATOM 550 C CYS A 392 -5.612 8.835 -12.100 1.00 0.00 C ATOM 551 O CYS A 392 -6.401 8.155 -12.757 1.00 0.00 O ATOM 552 CB CYS A 392 -5.176 10.889 -13.460 1.00 0.00 C ATOM 553 SG CYS A 392 -5.859 12.126 -12.310 1.00 0.00 S ATOM 0 H CYS A 392 -4.086 8.997 -14.699 1.00 0.00 H new ATOM 0 HA CYS A 392 -3.845 10.036 -12.003 1.00 0.00 H new ATOM 0 HB2 CYS A 392 -4.431 11.370 -14.094 1.00 0.00 H new ATOM 0 HB3 CYS A 392 -5.973 10.538 -14.115 1.00 0.00 H new ATOM 0 HG CYS A 392 -6.860 12.736 -12.873 1.00 0.00 H new ATOM 558 N PRO A 393 -5.646 8.874 -10.759 1.00 0.00 N ATOM 559 CA PRO A 393 -6.622 8.116 -9.970 1.00 0.00 C ATOM 560 C PRO A 393 -8.038 8.661 -10.120 1.00 0.00 C ATOM 561 O PRO A 393 -9.015 7.922 -9.996 1.00 0.00 O ATOM 562 CB PRO A 393 -6.130 8.295 -8.532 1.00 0.00 C ATOM 563 CG PRO A 393 -5.366 9.574 -8.549 1.00 0.00 C ATOM 564 CD PRO A 393 -4.736 9.662 -9.911 1.00 0.00 C ATOM 0 HA PRO A 393 -6.683 7.075 -10.288 1.00 0.00 H new ATOM 0 HB2 PRO A 393 -6.964 8.341 -7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 393 -5.499 7.461 -8.223 1.00 0.00 H new ATOM 0 HG2 PRO A 393 -6.024 10.424 -8.368 1.00 0.00 H new ATOM 0 HG3 PRO A 393 -4.607 9.586 -7.767 1.00 0.00 H new ATOM 0 HD2 PRO A 393 -4.661 10.694 -10.253 1.00 0.00 H new ATOM 0 HD3 PRO A 393 -3.727 9.251 -9.914 1.00 0.00 H new ATOM 572 N VAL A 394 -8.142 9.959 -10.389 1.00 0.00 N ATOM 573 CA VAL A 394 -9.440 10.602 -10.558 1.00 0.00 C ATOM 574 C VAL A 394 -9.982 10.385 -11.966 1.00 0.00 C ATOM 575 O VAL A 394 -11.000 9.719 -12.155 1.00 0.00 O ATOM 576 CB VAL A 394 -9.356 12.115 -10.279 1.00 0.00 C ATOM 577 CG1 VAL A 394 -10.712 12.773 -10.491 1.00 0.00 C ATOM 578 CG2 VAL A 394 -8.845 12.369 -8.869 1.00 0.00 C ATOM 0 H VAL A 394 -7.344 10.585 -10.494 1.00 0.00 H new ATOM 0 HA VAL A 394 -10.117 10.144 -9.837 1.00 0.00 H new ATOM 0 HB VAL A 394 -8.650 12.558 -10.982 1.00 0.00 H new ATOM 0 HG11 VAL A 394 -10.634 13.841 -10.289 1.00 0.00 H new ATOM 0 HG12 VAL A 394 -11.033 12.621 -11.521 1.00 0.00 H new ATOM 0 HG13 VAL A 394 -11.442 12.329 -9.814 1.00 0.00 H new ATOM 0 HG21 VAL A 394 -8.792 13.443 -8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 394 -9.524 11.913 -8.148 1.00 0.00 H new ATOM 0 HG23 VAL A 394 -7.852 11.933 -8.758 1.00 0.00 H new ATOM 588 N CYS A 395 -9.295 10.952 -12.952 1.00 0.00 N ATOM 589 CA CYS A 395 -9.706 10.821 -14.345 1.00 0.00 C ATOM 590 C CYS A 395 -9.528 9.386 -14.832 1.00 0.00 C ATOM 591 O CYS A 395 -10.502 8.680 -15.086 1.00 0.00 O ATOM 592 CB CYS A 395 -8.900 11.776 -15.228 1.00 0.00 C ATOM 593 SG CYS A 395 -8.803 13.478 -14.588 1.00 0.00 S ATOM 0 H CYS A 395 -8.451 11.507 -12.812 1.00 0.00 H new ATOM 0 HA CYS A 395 -10.763 11.080 -14.412 1.00 0.00 H new ATOM 0 HB2 CYS A 395 -7.889 11.384 -15.341 1.00 0.00 H new ATOM 0 HB3 CYS A 395 -9.346 11.798 -16.222 1.00 0.00 H new ATOM 0 HG CYS A 395 -7.605 13.945 -14.777 1.00 0.00 H new ATOM 598 N GLY A 396 -8.274 8.962 -14.961 1.00 0.00 N ATOM 599 CA GLY A 396 -7.990 7.614 -15.417 1.00 0.00 C ATOM 600 C GLY A 396 -6.980 7.585 -16.547 1.00 0.00 C ATOM 601 O GLY A 396 -6.470 6.524 -16.907 1.00 0.00 O ATOM 0 H GLY A 396 -7.450 9.528 -14.758 1.00 0.00 H new ATOM 0 HA2 GLY A 396 -7.613 7.023 -14.582 1.00 0.00 H new ATOM 0 HA3 GLY A 396 -8.916 7.143 -15.749 1.00 0.00 H new ATOM 605 N LEU A 397 -6.691 8.753 -17.109 1.00 0.00 N ATOM 606 CA LEU A 397 -5.736 8.858 -18.207 1.00 0.00 C ATOM 607 C LEU A 397 -4.418 8.179 -17.849 1.00 0.00 C ATOM 608 O LEU A 397 -4.185 7.825 -16.694 1.00 0.00 O ATOM 609 CB LEU A 397 -5.488 10.327 -18.555 1.00 0.00 C ATOM 610 CG LEU A 397 -6.279 10.879 -19.742 1.00 0.00 C ATOM 611 CD1 LEU A 397 -6.905 12.219 -19.389 1.00 0.00 C ATOM 612 CD2 LEU A 397 -5.382 11.012 -20.964 1.00 0.00 C ATOM 0 H LEU A 397 -7.104 9.641 -16.823 1.00 0.00 H new ATOM 0 HA LEU A 397 -6.160 8.352 -19.074 1.00 0.00 H new ATOM 0 HB2 LEU A 397 -5.719 10.931 -17.678 1.00 0.00 H new ATOM 0 HB3 LEU A 397 -4.425 10.456 -18.761 1.00 0.00 H new ATOM 0 HG LEU A 397 -7.080 10.179 -19.978 1.00 0.00 H new ATOM 0 HD11 LEU A 397 -7.464 12.596 -20.245 1.00 0.00 H new ATOM 0 HD12 LEU A 397 -7.580 12.094 -18.542 1.00 0.00 H new ATOM 0 HD13 LEU A 397 -6.121 12.929 -19.126 1.00 0.00 H new ATOM 0 HD21 LEU A 397 -5.961 11.406 -21.799 1.00 0.00 H new ATOM 0 HD22 LEU A 397 -4.560 11.692 -20.740 1.00 0.00 H new ATOM 0 HD23 LEU A 397 -4.982 10.034 -21.230 1.00 0.00 H new ATOM 624 N ARG A 398 -3.558 8.003 -18.848 1.00 0.00 N ATOM 625 CA ARG A 398 -2.263 7.368 -18.638 1.00 0.00 C ATOM 626 C ARG A 398 -1.134 8.250 -19.161 1.00 0.00 C ATOM 627 O ARG A 398 -1.199 8.763 -20.278 1.00 0.00 O ATOM 628 CB ARG A 398 -2.222 6.004 -19.330 1.00 0.00 C ATOM 629 CG ARG A 398 -3.074 4.948 -18.646 1.00 0.00 C ATOM 630 CD ARG A 398 -4.293 4.589 -19.480 1.00 0.00 C ATOM 631 NE ARG A 398 -3.929 3.887 -20.708 1.00 0.00 N ATOM 632 CZ ARG A 398 -4.807 3.533 -21.640 1.00 0.00 C ATOM 633 NH1 ARG A 398 -6.093 3.814 -21.485 1.00 0.00 N ATOM 634 NH2 ARG A 398 -4.398 2.896 -22.730 1.00 0.00 N ATOM 0 H ARG A 398 -3.735 8.291 -19.810 1.00 0.00 H new ATOM 0 HA ARG A 398 -2.124 7.228 -17.566 1.00 0.00 H new ATOM 0 HB2 ARG A 398 -2.559 6.119 -20.360 1.00 0.00 H new ATOM 0 HB3 ARG A 398 -1.190 5.657 -19.369 1.00 0.00 H new ATOM 0 HG2 ARG A 398 -2.476 4.054 -18.471 1.00 0.00 H new ATOM 0 HG3 ARG A 398 -3.394 5.313 -17.670 1.00 0.00 H new ATOM 0 HD2 ARG A 398 -4.964 3.964 -18.891 1.00 0.00 H new ATOM 0 HD3 ARG A 398 -4.841 5.497 -19.731 1.00 0.00 H new ATOM 0 HE ARG A 398 -2.947 3.656 -20.858 1.00 0.00 H new ATOM 0 HH11 ARG A 398 -6.411 4.303 -20.648 1.00 0.00 H new ATOM 0 HH12 ARG A 398 -6.765 3.541 -22.202 1.00 0.00 H new ATOM 0 HH21 ARG A 398 -3.409 2.678 -22.852 1.00 0.00 H new ATOM 0 HH22 ARG A 398 -5.073 2.624 -23.445 1.00 0.00 H new ATOM 648 N PHE A 399 -0.099 8.423 -18.345 1.00 0.00 N ATOM 649 CA PHE A 399 1.045 9.245 -18.725 1.00 0.00 C ATOM 650 C PHE A 399 2.343 8.449 -18.625 1.00 0.00 C ATOM 651 O PHE A 399 2.536 7.669 -17.692 1.00 0.00 O ATOM 652 CB PHE A 399 1.125 10.487 -17.836 1.00 0.00 C ATOM 653 CG PHE A 399 -0.134 11.306 -17.836 1.00 0.00 C ATOM 654 CD1 PHE A 399 -0.319 12.319 -18.763 1.00 0.00 C ATOM 655 CD2 PHE A 399 -1.134 11.064 -16.907 1.00 0.00 C ATOM 656 CE1 PHE A 399 -1.476 13.074 -18.766 1.00 0.00 C ATOM 657 CE2 PHE A 399 -2.294 11.815 -16.905 1.00 0.00 C ATOM 658 CZ PHE A 399 -2.465 12.822 -17.835 1.00 0.00 C ATOM 0 H PHE A 399 -0.029 8.005 -17.417 1.00 0.00 H new ATOM 0 HA PHE A 399 0.909 9.557 -19.761 1.00 0.00 H new ATOM 0 HB2 PHE A 399 1.349 10.179 -16.815 1.00 0.00 H new ATOM 0 HB3 PHE A 399 1.954 11.110 -18.170 1.00 0.00 H new ATOM 0 HD1 PHE A 399 0.451 12.521 -19.493 1.00 0.00 H new ATOM 0 HD2 PHE A 399 -1.005 10.279 -16.176 1.00 0.00 H new ATOM 0 HE1 PHE A 399 -1.607 13.860 -19.495 1.00 0.00 H new ATOM 0 HE2 PHE A 399 -3.066 11.615 -16.177 1.00 0.00 H new ATOM 0 HZ PHE A 399 -3.370 13.411 -17.834 1.00 0.00 H new ATOM 668 N LYS A 400 3.231 8.653 -19.592 1.00 0.00 N ATOM 669 CA LYS A 400 4.512 7.957 -19.614 1.00 0.00 C ATOM 670 C LYS A 400 5.623 8.844 -19.062 1.00 0.00 C ATOM 671 O LYS A 400 6.798 8.652 -19.376 1.00 0.00 O ATOM 672 CB LYS A 400 4.855 7.522 -21.041 1.00 0.00 C ATOM 673 CG LYS A 400 5.380 6.100 -21.133 1.00 0.00 C ATOM 674 CD LYS A 400 4.604 5.284 -22.154 1.00 0.00 C ATOM 675 CE LYS A 400 5.511 4.317 -22.900 1.00 0.00 C ATOM 676 NZ LYS A 400 5.239 2.901 -22.527 1.00 0.00 N ATOM 0 H LYS A 400 3.087 9.295 -20.371 1.00 0.00 H new ATOM 0 HA LYS A 400 4.428 7.074 -18.981 1.00 0.00 H new ATOM 0 HB2 LYS A 400 3.965 7.613 -21.664 1.00 0.00 H new ATOM 0 HB3 LYS A 400 5.601 8.203 -21.450 1.00 0.00 H new ATOM 0 HG2 LYS A 400 6.435 6.118 -21.406 1.00 0.00 H new ATOM 0 HG3 LYS A 400 5.312 5.622 -20.156 1.00 0.00 H new ATOM 0 HD2 LYS A 400 3.813 4.728 -21.651 1.00 0.00 H new ATOM 0 HD3 LYS A 400 4.121 5.954 -22.865 1.00 0.00 H new ATOM 0 HE2 LYS A 400 5.371 4.443 -23.974 1.00 0.00 H new ATOM 0 HE3 LYS A 400 6.552 4.556 -22.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 5.877 2.274 -23.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 5.397 2.774 -21.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 4.253 2.665 -22.757 1.00 0.00 H new ATOM 690 N ARG A 401 5.244 9.814 -18.236 1.00 0.00 N ATOM 691 CA ARG A 401 6.209 10.730 -17.639 1.00 0.00 C ATOM 692 C ARG A 401 5.702 11.257 -16.300 1.00 0.00 C ATOM 693 O ARG A 401 4.495 11.363 -16.079 1.00 0.00 O ATOM 694 CB ARG A 401 6.488 11.898 -18.587 1.00 0.00 C ATOM 695 CG ARG A 401 5.236 12.479 -19.223 1.00 0.00 C ATOM 696 CD ARG A 401 4.981 11.881 -20.598 1.00 0.00 C ATOM 697 NE ARG A 401 4.236 12.793 -21.462 1.00 0.00 N ATOM 698 CZ ARG A 401 4.772 13.867 -22.031 1.00 0.00 C ATOM 699 NH1 ARG A 401 6.049 14.162 -21.830 1.00 0.00 N ATOM 700 NH2 ARG A 401 4.029 14.649 -22.805 1.00 0.00 N ATOM 0 H ARG A 401 4.276 9.986 -17.965 1.00 0.00 H new ATOM 0 HA ARG A 401 7.135 10.182 -17.466 1.00 0.00 H new ATOM 0 HB2 ARG A 401 7.005 12.685 -18.038 1.00 0.00 H new ATOM 0 HB3 ARG A 401 7.163 11.563 -19.374 1.00 0.00 H new ATOM 0 HG2 ARG A 401 4.378 12.290 -18.578 1.00 0.00 H new ATOM 0 HG3 ARG A 401 5.339 13.561 -19.309 1.00 0.00 H new ATOM 0 HD2 ARG A 401 5.933 11.633 -21.068 1.00 0.00 H new ATOM 0 HD3 ARG A 401 4.426 10.949 -20.491 1.00 0.00 H new ATOM 0 HE ARG A 401 3.251 12.595 -21.638 1.00 0.00 H new ATOM 0 HH11 ARG A 401 6.623 13.563 -21.237 1.00 0.00 H new ATOM 0 HH12 ARG A 401 6.457 14.988 -22.269 1.00 0.00 H new ATOM 0 HH21 ARG A 401 3.046 14.425 -22.963 1.00 0.00 H new ATOM 0 HH22 ARG A 401 4.441 15.474 -23.242 1.00 0.00 H new ATOM 714 N LYS A 402 6.632 11.586 -15.409 1.00 0.00 N ATOM 715 CA LYS A 402 6.281 12.103 -14.092 1.00 0.00 C ATOM 716 C LYS A 402 6.155 13.622 -14.120 1.00 0.00 C ATOM 717 O LYS A 402 5.705 14.235 -13.151 1.00 0.00 O ATOM 718 CB LYS A 402 7.332 11.686 -13.061 1.00 0.00 C ATOM 719 CG LYS A 402 6.835 10.648 -12.070 1.00 0.00 C ATOM 720 CD LYS A 402 6.496 11.277 -10.728 1.00 0.00 C ATOM 721 CE LYS A 402 5.756 10.300 -9.827 1.00 0.00 C ATOM 722 NZ LYS A 402 6.615 9.149 -9.433 1.00 0.00 N ATOM 0 H LYS A 402 7.635 11.503 -15.576 1.00 0.00 H new ATOM 0 HA LYS A 402 5.316 11.682 -13.809 1.00 0.00 H new ATOM 0 HB2 LYS A 402 8.203 11.290 -13.583 1.00 0.00 H new ATOM 0 HB3 LYS A 402 7.662 12.569 -12.514 1.00 0.00 H new ATOM 0 HG2 LYS A 402 5.953 10.151 -12.474 1.00 0.00 H new ATOM 0 HG3 LYS A 402 7.597 9.881 -11.932 1.00 0.00 H new ATOM 0 HD2 LYS A 402 7.412 11.605 -10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 402 5.883 12.165 -10.885 1.00 0.00 H new ATOM 0 HE2 LYS A 402 5.412 10.820 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 402 4.869 9.932 -10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 6.182 8.263 -9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 7.556 9.255 -9.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 6.708 9.124 -8.397 1.00 0.00 H new ATOM 736 N ASP A 403 6.555 14.224 -15.234 1.00 0.00 N ATOM 737 CA ASP A 403 6.484 15.673 -15.389 1.00 0.00 C ATOM 738 C ASP A 403 5.075 16.110 -15.777 1.00 0.00 C ATOM 739 O ASP A 403 4.678 17.249 -15.532 1.00 0.00 O ATOM 740 CB ASP A 403 7.487 16.144 -16.443 1.00 0.00 C ATOM 741 CG ASP A 403 7.980 17.554 -16.184 1.00 0.00 C ATOM 742 OD1 ASP A 403 8.567 17.788 -15.106 1.00 0.00 O ATOM 743 OD2 ASP A 403 7.781 18.422 -17.058 1.00 0.00 O ATOM 0 H ASP A 403 6.932 13.731 -16.044 1.00 0.00 H new ATOM 0 HA ASP A 403 6.735 16.129 -14.431 1.00 0.00 H new ATOM 0 HB2 ASP A 403 8.337 15.462 -16.461 1.00 0.00 H new ATOM 0 HB3 ASP A 403 7.022 16.100 -17.428 1.00 0.00 H new ATOM 748 N ARG A 404 4.325 15.197 -16.386 1.00 0.00 N ATOM 749 CA ARG A 404 2.961 15.489 -16.810 1.00 0.00 C ATOM 750 C ARG A 404 1.959 15.103 -15.726 1.00 0.00 C ATOM 751 O ARG A 404 1.177 15.934 -15.266 1.00 0.00 O ATOM 752 CB ARG A 404 2.637 14.745 -18.107 1.00 0.00 C ATOM 753 CG ARG A 404 2.739 15.613 -19.350 1.00 0.00 C ATOM 754 CD ARG A 404 4.114 16.253 -19.471 1.00 0.00 C ATOM 755 NE ARG A 404 4.300 16.910 -20.762 1.00 0.00 N ATOM 756 CZ ARG A 404 5.308 17.732 -21.030 1.00 0.00 C ATOM 757 NH1 ARG A 404 6.217 17.996 -20.101 1.00 0.00 N ATOM 758 NH2 ARG A 404 5.409 18.291 -22.229 1.00 0.00 N ATOM 0 H ARG A 404 4.639 14.250 -16.597 1.00 0.00 H new ATOM 0 HA ARG A 404 2.884 16.562 -16.985 1.00 0.00 H new ATOM 0 HB2 ARG A 404 3.316 13.898 -18.209 1.00 0.00 H new ATOM 0 HB3 ARG A 404 1.628 14.338 -18.040 1.00 0.00 H new ATOM 0 HG2 ARG A 404 2.539 15.009 -20.235 1.00 0.00 H new ATOM 0 HG3 ARG A 404 1.976 16.391 -19.316 1.00 0.00 H new ATOM 0 HD2 ARG A 404 4.246 16.981 -18.671 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.882 15.491 -19.338 1.00 0.00 H new ATOM 0 HE ARG A 404 3.618 16.727 -21.498 1.00 0.00 H new ATOM 0 HH11 ARG A 404 6.143 17.567 -19.178 1.00 0.00 H new ATOM 0 HH12 ARG A 404 6.990 18.628 -20.309 1.00 0.00 H new ATOM 0 HH21 ARG A 404 4.712 18.090 -22.946 1.00 0.00 H new ATOM 0 HH22 ARG A 404 6.184 18.922 -22.434 1.00 0.00 H new ATOM 772 N MET A 405 1.990 13.837 -15.323 1.00 0.00 N ATOM 773 CA MET A 405 1.085 13.342 -14.292 1.00 0.00 C ATOM 774 C MET A 405 1.163 14.208 -13.038 1.00 0.00 C ATOM 775 O MET A 405 0.162 14.414 -12.352 1.00 0.00 O ATOM 776 CB MET A 405 1.419 11.890 -13.945 1.00 0.00 C ATOM 777 CG MET A 405 2.784 11.719 -13.296 1.00 0.00 C ATOM 778 SD MET A 405 2.703 11.733 -11.495 1.00 0.00 S ATOM 779 CE MET A 405 1.826 10.203 -11.183 1.00 0.00 C ATOM 0 H MET A 405 2.631 13.136 -15.694 1.00 0.00 H new ATOM 0 HA MET A 405 0.068 13.390 -14.682 1.00 0.00 H new ATOM 0 HB2 MET A 405 0.655 11.501 -13.273 1.00 0.00 H new ATOM 0 HB3 MET A 405 1.380 11.290 -14.854 1.00 0.00 H new ATOM 0 HG2 MET A 405 3.225 10.779 -13.629 1.00 0.00 H new ATOM 0 HG3 MET A 405 3.445 12.518 -13.632 1.00 0.00 H new ATOM 0 HE1 MET A 405 1.301 10.272 -10.231 1.00 0.00 H new ATOM 0 HE2 MET A 405 1.106 10.027 -11.982 1.00 0.00 H new ATOM 0 HE3 MET A 405 2.537 9.377 -11.146 1.00 0.00 H new ATOM 789 N SER A 406 2.358 14.711 -12.745 1.00 0.00 N ATOM 790 CA SER A 406 2.567 15.551 -11.572 1.00 0.00 C ATOM 791 C SER A 406 1.807 16.868 -11.704 1.00 0.00 C ATOM 792 O SER A 406 1.385 17.457 -10.709 1.00 0.00 O ATOM 793 CB SER A 406 4.059 15.827 -11.375 1.00 0.00 C ATOM 794 OG SER A 406 4.267 16.835 -10.400 1.00 0.00 O ATOM 0 H SER A 406 3.196 14.551 -13.304 1.00 0.00 H new ATOM 0 HA SER A 406 2.186 15.018 -10.701 1.00 0.00 H new ATOM 0 HB2 SER A 406 4.564 14.911 -11.069 1.00 0.00 H new ATOM 0 HB3 SER A 406 4.503 16.135 -12.322 1.00 0.00 H new ATOM 0 HG SER A 406 5.228 16.992 -10.291 1.00 0.00 H new ATOM 800 N TYR A 407 1.638 17.324 -12.940 1.00 0.00 N ATOM 801 CA TYR A 407 0.932 18.572 -13.204 1.00 0.00 C ATOM 802 C TYR A 407 -0.549 18.315 -13.466 1.00 0.00 C ATOM 803 O TYR A 407 -1.380 19.215 -13.334 1.00 0.00 O ATOM 804 CB TYR A 407 1.555 19.292 -14.401 1.00 0.00 C ATOM 805 CG TYR A 407 0.821 20.552 -14.800 1.00 0.00 C ATOM 806 CD1 TYR A 407 0.397 21.464 -13.842 1.00 0.00 C ATOM 807 CD2 TYR A 407 0.553 20.830 -16.135 1.00 0.00 C ATOM 808 CE1 TYR A 407 -0.275 22.617 -14.202 1.00 0.00 C ATOM 809 CE2 TYR A 407 -0.117 21.981 -16.504 1.00 0.00 C ATOM 810 CZ TYR A 407 -0.529 22.870 -15.534 1.00 0.00 C ATOM 811 OH TYR A 407 -1.197 24.018 -15.896 1.00 0.00 O ATOM 0 H TYR A 407 1.980 16.848 -13.775 1.00 0.00 H new ATOM 0 HA TYR A 407 1.022 19.204 -12.321 1.00 0.00 H new ATOM 0 HB2 TYR A 407 2.589 19.543 -14.165 1.00 0.00 H new ATOM 0 HB3 TYR A 407 1.579 18.611 -15.252 1.00 0.00 H new ATOM 0 HD1 TYR A 407 0.596 21.269 -12.798 1.00 0.00 H new ATOM 0 HD2 TYR A 407 0.874 20.135 -16.897 1.00 0.00 H new ATOM 0 HE1 TYR A 407 -0.599 23.316 -13.445 1.00 0.00 H new ATOM 0 HE2 TYR A 407 -0.317 22.183 -17.546 1.00 0.00 H new ATOM 0 HH TYR A 407 -1.294 24.046 -16.871 1.00 0.00 H new ATOM 821 N HIS A 408 -0.873 17.081 -13.837 1.00 0.00 N ATOM 822 CA HIS A 408 -2.254 16.703 -14.117 1.00 0.00 C ATOM 823 C HIS A 408 -2.988 16.337 -12.830 1.00 0.00 C ATOM 824 O HIS A 408 -4.112 16.782 -12.597 1.00 0.00 O ATOM 825 CB HIS A 408 -2.296 15.528 -15.093 1.00 0.00 C ATOM 826 CG HIS A 408 -3.682 15.049 -15.395 1.00 0.00 C ATOM 827 ND1 HIS A 408 -4.491 15.637 -16.345 1.00 0.00 N ATOM 828 CD2 HIS A 408 -4.402 14.032 -14.868 1.00 0.00 C ATOM 829 CE1 HIS A 408 -5.649 15.003 -16.388 1.00 0.00 C ATOM 830 NE2 HIS A 408 -5.621 14.024 -15.502 1.00 0.00 N ATOM 0 H HIS A 408 -0.198 16.325 -13.951 1.00 0.00 H new ATOM 0 HA HIS A 408 -2.754 17.559 -14.570 1.00 0.00 H new ATOM 0 HB2 HIS A 408 -1.811 15.822 -16.024 1.00 0.00 H new ATOM 0 HB3 HIS A 408 -1.717 14.702 -14.679 1.00 0.00 H new ATOM 0 HD1 HIS A 408 -4.235 16.437 -16.924 1.00 0.00 H new ATOM 0 HD2 HIS A 408 -4.079 13.353 -14.093 1.00 0.00 H new ATOM 0 HE1 HIS A 408 -6.478 15.244 -17.037 1.00 0.00 H new ATOM 838 N VAL A 409 -2.345 15.524 -11.998 1.00 0.00 N ATOM 839 CA VAL A 409 -2.936 15.099 -10.735 1.00 0.00 C ATOM 840 C VAL A 409 -3.177 16.288 -9.813 1.00 0.00 C ATOM 841 O VAL A 409 -4.286 16.486 -9.315 1.00 0.00 O ATOM 842 CB VAL A 409 -2.040 14.076 -10.012 1.00 0.00 C ATOM 843 CG1 VAL A 409 -2.658 13.670 -8.683 1.00 0.00 C ATOM 844 CG2 VAL A 409 -1.803 12.859 -10.893 1.00 0.00 C ATOM 0 H VAL A 409 -1.414 15.146 -12.176 1.00 0.00 H new ATOM 0 HA VAL A 409 -3.890 14.630 -10.975 1.00 0.00 H new ATOM 0 HB VAL A 409 -1.076 14.543 -9.810 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -2.011 12.947 -8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.771 14.550 -8.050 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -3.636 13.221 -8.858 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -1.168 12.147 -10.366 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -2.758 12.389 -11.129 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -1.313 13.168 -11.816 1.00 0.00 H new ATOM 854 N ARG A 410 -2.132 17.078 -9.590 1.00 0.00 N ATOM 855 CA ARG A 410 -2.230 18.249 -8.726 1.00 0.00 C ATOM 856 C ARG A 410 -3.194 19.277 -9.312 1.00 0.00 C ATOM 857 O ARG A 410 -3.839 20.027 -8.578 1.00 0.00 O ATOM 858 CB ARG A 410 -0.851 18.881 -8.530 1.00 0.00 C ATOM 859 CG ARG A 410 0.216 17.891 -8.091 1.00 0.00 C ATOM 860 CD ARG A 410 -0.037 17.390 -6.678 1.00 0.00 C ATOM 861 NE ARG A 410 0.448 16.026 -6.486 1.00 0.00 N ATOM 862 CZ ARG A 410 1.727 15.719 -6.304 1.00 0.00 C ATOM 863 NH1 ARG A 410 2.646 16.676 -6.288 1.00 0.00 N ATOM 864 NH2 ARG A 410 2.091 14.454 -6.136 1.00 0.00 N ATOM 0 H ARG A 410 -1.208 16.929 -9.995 1.00 0.00 H new ATOM 0 HA ARG A 410 -2.614 17.925 -7.759 1.00 0.00 H new ATOM 0 HB2 ARG A 410 -0.539 19.348 -9.464 1.00 0.00 H new ATOM 0 HB3 ARG A 410 -0.927 19.674 -7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 410 0.236 17.046 -8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 410 1.196 18.365 -8.140 1.00 0.00 H new ATOM 0 HD2 ARG A 410 0.453 18.053 -5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 410 -1.105 17.428 -6.466 1.00 0.00 H new ATOM 0 HE ARG A 410 -0.233 15.267 -6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 410 2.371 17.650 -6.416 1.00 0.00 H new ATOM 0 HH12 ARG A 410 3.628 16.438 -6.148 1.00 0.00 H new ATOM 0 HH21 ARG A 410 1.388 13.715 -6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 410 3.074 14.220 -5.996 1.00 0.00 H new ATOM 878 N SER A 411 -3.286 19.307 -10.637 1.00 0.00 N ATOM 879 CA SER A 411 -4.168 20.245 -11.322 1.00 0.00 C ATOM 880 C SER A 411 -5.601 20.112 -10.817 1.00 0.00 C ATOM 881 O SER A 411 -6.382 21.063 -10.870 1.00 0.00 O ATOM 882 CB SER A 411 -4.123 20.010 -12.833 1.00 0.00 C ATOM 883 OG SER A 411 -5.411 20.147 -13.408 1.00 0.00 O ATOM 0 H SER A 411 -2.760 18.692 -11.258 1.00 0.00 H new ATOM 0 HA SER A 411 -3.819 21.255 -11.108 1.00 0.00 H new ATOM 0 HB2 SER A 411 -3.438 20.721 -13.295 1.00 0.00 H new ATOM 0 HB3 SER A 411 -3.734 19.013 -13.038 1.00 0.00 H new ATOM 0 HG SER A 411 -5.356 19.994 -14.374 1.00 0.00 H new ATOM 889 N HIS A 412 -5.941 18.923 -10.327 1.00 0.00 N ATOM 890 CA HIS A 412 -7.280 18.664 -9.811 1.00 0.00 C ATOM 891 C HIS A 412 -7.370 19.018 -8.330 1.00 0.00 C ATOM 892 O HIS A 412 -8.320 19.669 -7.894 1.00 0.00 O ATOM 893 CB HIS A 412 -7.654 17.196 -10.020 1.00 0.00 C ATOM 894 CG HIS A 412 -7.352 16.691 -11.397 1.00 0.00 C ATOM 895 ND1 HIS A 412 -7.787 17.323 -12.543 1.00 0.00 N ATOM 896 CD2 HIS A 412 -6.652 15.608 -11.810 1.00 0.00 C ATOM 897 CE1 HIS A 412 -7.370 16.651 -13.600 1.00 0.00 C ATOM 898 NE2 HIS A 412 -6.678 15.606 -13.183 1.00 0.00 N ATOM 0 H HIS A 412 -5.308 18.125 -10.277 1.00 0.00 H new ATOM 0 HA HIS A 412 -7.982 19.292 -10.359 1.00 0.00 H new ATOM 0 HB2 HIS A 412 -7.118 16.586 -9.293 1.00 0.00 H new ATOM 0 HB3 HIS A 412 -8.718 17.069 -9.821 1.00 0.00 H new ATOM 0 HD1 HIS A 412 -8.344 18.177 -12.570 1.00 0.00 H new ATOM 0 HD2 HIS A 412 -6.164 14.881 -11.177 1.00 0.00 H new ATOM 0 HE1 HIS A 412 -7.562 16.911 -14.630 1.00 0.00 H new ATOM 959 N LYS A 418 -7.516 34.069 -9.993 1.00 0.00 N ATOM 960 CA LYS A 418 -8.124 35.365 -9.717 1.00 0.00 C ATOM 961 C LYS A 418 -9.376 35.207 -8.860 1.00 0.00 C ATOM 962 O LYS A 418 -9.967 34.131 -8.774 1.00 0.00 O ATOM 963 CB LYS A 418 -8.476 36.076 -11.026 1.00 0.00 C ATOM 964 CG LYS A 418 -7.339 36.910 -11.590 1.00 0.00 C ATOM 965 CD LYS A 418 -6.107 36.064 -11.860 1.00 0.00 C ATOM 966 CE LYS A 418 -5.098 36.168 -10.726 1.00 0.00 C ATOM 967 NZ LYS A 418 -3.966 37.071 -11.073 1.00 0.00 N ATOM 0 HA LYS A 418 -7.401 35.967 -9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 418 -8.771 35.332 -11.766 1.00 0.00 H new ATOM 0 HB3 LYS A 418 -9.340 36.720 -10.859 1.00 0.00 H new ATOM 0 HG2 LYS A 418 -7.662 37.389 -12.514 1.00 0.00 H new ATOM 0 HG3 LYS A 418 -7.088 37.706 -10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 418 -6.401 35.023 -11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 418 -5.642 36.384 -12.792 1.00 0.00 H new ATOM 0 HE2 LYS A 418 -5.596 36.538 -9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 418 -4.712 35.176 -10.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 -3.300 37.116 -10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 -3.475 36.705 -11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 -4.331 38.024 -11.273 1.00 0.00 H new ATOM 981 N PRO A 419 -9.791 36.305 -8.210 1.00 0.00 N ATOM 982 CA PRO A 419 -10.978 36.313 -7.349 1.00 0.00 C ATOM 983 C PRO A 419 -12.272 36.175 -8.145 1.00 0.00 C ATOM 984 O PRO A 419 -13.146 35.382 -7.793 1.00 0.00 O ATOM 985 CB PRO A 419 -10.913 37.682 -6.669 1.00 0.00 C ATOM 986 CG PRO A 419 -10.132 38.535 -7.607 1.00 0.00 C ATOM 987 CD PRO A 419 -9.135 37.622 -8.266 1.00 0.00 C ATOM 0 HA PRO A 419 -10.982 35.475 -6.652 1.00 0.00 H new ATOM 0 HB2 PRO A 419 -11.910 38.088 -6.502 1.00 0.00 H new ATOM 0 HB3 PRO A 419 -10.428 37.618 -5.695 1.00 0.00 H new ATOM 0 HG2 PRO A 419 -10.784 38.999 -8.347 1.00 0.00 H new ATOM 0 HG3 PRO A 419 -9.629 39.342 -7.074 1.00 0.00 H new ATOM 0 HD2 PRO A 419 -8.929 37.925 -9.293 1.00 0.00 H new ATOM 0 HD3 PRO A 419 -8.182 37.619 -7.737 1.00 0.00 H new ATOM 995 N TYR A 420 -12.387 36.949 -9.218 1.00 0.00 N ATOM 996 CA TYR A 420 -13.575 36.914 -10.062 1.00 0.00 C ATOM 997 C TYR A 420 -13.258 36.303 -11.423 1.00 0.00 C ATOM 998 O TYR A 420 -12.234 36.613 -12.033 1.00 0.00 O ATOM 999 CB TYR A 420 -14.140 38.324 -10.243 1.00 0.00 C ATOM 1000 CG TYR A 420 -14.431 39.031 -8.939 1.00 0.00 C ATOM 1001 CD1 TYR A 420 -15.446 38.590 -8.099 1.00 0.00 C ATOM 1002 CD2 TYR A 420 -13.694 40.142 -8.547 1.00 0.00 C ATOM 1003 CE1 TYR A 420 -15.717 39.233 -6.907 1.00 0.00 C ATOM 1004 CE2 TYR A 420 -13.957 40.790 -7.356 1.00 0.00 C ATOM 1005 CZ TYR A 420 -14.969 40.333 -6.540 1.00 0.00 C ATOM 1006 OH TYR A 420 -15.235 40.977 -5.353 1.00 0.00 O ATOM 0 H TYR A 420 -11.672 37.609 -9.524 1.00 0.00 H new ATOM 0 HA TYR A 420 -14.321 36.291 -9.569 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -13.432 38.919 -10.819 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -15.058 38.266 -10.828 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -16.033 37.729 -8.383 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -12.902 40.505 -9.185 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -16.510 38.877 -6.266 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -13.372 41.651 -7.066 1.00 0.00 H new ATOM 0 HH TYR A 420 -14.618 41.730 -5.244 1.00 0.00 H new ATOM 1016 N ILE A 421 -14.145 35.432 -11.894 1.00 0.00 N ATOM 1017 CA ILE A 421 -13.962 34.778 -13.184 1.00 0.00 C ATOM 1018 C ILE A 421 -15.209 34.911 -14.050 1.00 0.00 C ATOM 1019 O ILE A 421 -16.331 34.933 -13.543 1.00 0.00 O ATOM 1020 CB ILE A 421 -13.625 33.284 -13.015 1.00 0.00 C ATOM 1021 CG1 ILE A 421 -14.673 32.600 -12.134 1.00 0.00 C ATOM 1022 CG2 ILE A 421 -12.235 33.119 -12.420 1.00 0.00 C ATOM 1023 CD1 ILE A 421 -14.358 32.668 -10.656 1.00 0.00 C ATOM 0 H ILE A 421 -14.997 35.163 -11.402 1.00 0.00 H new ATOM 0 HA ILE A 421 -13.127 35.278 -13.675 1.00 0.00 H new ATOM 0 HB ILE A 421 -13.637 32.810 -13.996 1.00 0.00 H new ATOM 0 HG12 ILE A 421 -15.644 33.063 -12.312 1.00 0.00 H new ATOM 0 HG13 ILE A 421 -14.759 31.555 -12.431 1.00 0.00 H new ATOM 0 HG21 ILE A 421 -12.011 32.058 -12.307 1.00 0.00 H new ATOM 0 HG22 ILE A 421 -11.499 33.576 -13.082 1.00 0.00 H new ATOM 0 HG23 ILE A 421 -12.197 33.604 -11.445 1.00 0.00 H new ATOM 0 HD11 ILE A 421 -15.143 32.163 -10.093 1.00 0.00 H new ATOM 0 HD12 ILE A 421 -13.403 32.179 -10.465 1.00 0.00 H new ATOM 0 HD13 ILE A 421 -14.301 33.711 -10.344 1.00 0.00 H new ATOM 1035 N CYS A 422 -15.006 34.999 -15.360 1.00 0.00 N ATOM 1036 CA CYS A 422 -16.114 35.129 -16.299 1.00 0.00 C ATOM 1037 C CYS A 422 -17.158 34.040 -16.063 1.00 0.00 C ATOM 1038 O CYS A 422 -16.862 33.002 -15.472 1.00 0.00 O ATOM 1039 CB CYS A 422 -15.601 35.055 -17.739 1.00 0.00 C ATOM 1040 SG CYS A 422 -16.752 35.740 -18.974 1.00 0.00 S ATOM 0 H CYS A 422 -14.084 34.983 -15.796 1.00 0.00 H new ATOM 0 HA CYS A 422 -16.583 36.099 -16.137 1.00 0.00 H new ATOM 0 HB2 CYS A 422 -14.654 35.591 -17.804 1.00 0.00 H new ATOM 0 HB3 CYS A 422 -15.396 34.014 -17.987 1.00 0.00 H new ATOM 0 HG CYS A 422 -16.449 35.280 -20.152 1.00 0.00 H new ATOM 1045 N GLN A 423 -18.377 34.287 -16.530 1.00 0.00 N ATOM 1046 CA GLN A 423 -19.464 33.328 -16.370 1.00 0.00 C ATOM 1047 C GLN A 423 -19.558 32.404 -17.579 1.00 0.00 C ATOM 1048 O GLN A 423 -20.337 31.450 -17.585 1.00 0.00 O ATOM 1049 CB GLN A 423 -20.792 34.060 -16.168 1.00 0.00 C ATOM 1050 CG GLN A 423 -20.994 34.576 -14.752 1.00 0.00 C ATOM 1051 CD GLN A 423 -21.368 36.045 -14.715 1.00 0.00 C ATOM 1052 OE1 GLN A 423 -20.506 36.920 -14.804 1.00 0.00 O ATOM 1053 NE2 GLN A 423 -22.659 36.324 -14.583 1.00 0.00 N ATOM 0 H GLN A 423 -18.637 35.142 -17.022 1.00 0.00 H new ATOM 0 HA GLN A 423 -19.253 32.722 -15.489 1.00 0.00 H new ATOM 0 HB2 GLN A 423 -20.844 34.899 -16.862 1.00 0.00 H new ATOM 0 HB3 GLN A 423 -21.611 33.386 -16.420 1.00 0.00 H new ATOM 0 HG2 GLN A 423 -21.776 33.993 -14.265 1.00 0.00 H new ATOM 0 HG3 GLN A 423 -20.079 34.423 -14.179 1.00 0.00 H new ATOM 0 HE21 GLN A 423 -23.340 35.568 -14.513 1.00 0.00 H new ATOM 0 HE22 GLN A 423 -22.970 37.295 -14.552 1.00 0.00 H new ATOM 1062 N SER A 424 -18.760 32.693 -18.602 1.00 0.00 N ATOM 1063 CA SER A 424 -18.756 31.890 -19.819 1.00 0.00 C ATOM 1064 C SER A 424 -17.459 31.095 -19.941 1.00 0.00 C ATOM 1065 O SER A 424 -17.433 29.887 -19.704 1.00 0.00 O ATOM 1066 CB SER A 424 -18.936 32.785 -21.046 1.00 0.00 C ATOM 1067 OG SER A 424 -18.684 32.067 -22.242 1.00 0.00 O ATOM 0 H SER A 424 -18.108 33.477 -18.612 1.00 0.00 H new ATOM 0 HA SER A 424 -19.588 31.188 -19.765 1.00 0.00 H new ATOM 0 HB2 SER A 424 -19.951 33.183 -21.064 1.00 0.00 H new ATOM 0 HB3 SER A 424 -18.260 33.638 -20.981 1.00 0.00 H new ATOM 0 HG SER A 424 -19.228 32.439 -22.967 1.00 0.00 H new ATOM 1073 N CYS A 425 -16.384 31.782 -20.313 1.00 0.00 N ATOM 1074 CA CYS A 425 -15.083 31.143 -20.468 1.00 0.00 C ATOM 1075 C CYS A 425 -14.444 30.874 -19.109 1.00 0.00 C ATOM 1076 O CYS A 425 -13.510 30.081 -18.996 1.00 0.00 O ATOM 1077 CB CYS A 425 -14.159 32.019 -21.315 1.00 0.00 C ATOM 1078 SG CYS A 425 -13.891 33.689 -20.637 1.00 0.00 S ATOM 0 H CYS A 425 -16.389 32.782 -20.513 1.00 0.00 H new ATOM 0 HA CYS A 425 -15.232 30.189 -20.974 1.00 0.00 H new ATOM 0 HB2 CYS A 425 -13.195 31.520 -21.416 1.00 0.00 H new ATOM 0 HB3 CYS A 425 -14.578 32.108 -22.317 1.00 0.00 H new ATOM 0 HG CYS A 425 -13.096 34.354 -21.422 1.00 0.00 H new ATOM 1083 N GLY A 426 -14.955 31.541 -18.078 1.00 0.00 N ATOM 1084 CA GLY A 426 -14.422 31.361 -16.740 1.00 0.00 C ATOM 1085 C GLY A 426 -12.910 31.465 -16.700 1.00 0.00 C ATOM 1086 O GLY A 426 -12.228 30.536 -16.266 1.00 0.00 O ATOM 0 H GLY A 426 -15.728 32.203 -18.146 1.00 0.00 H new ATOM 0 HA2 GLY A 426 -14.852 32.111 -16.077 1.00 0.00 H new ATOM 0 HA3 GLY A 426 -14.726 30.386 -16.359 1.00 0.00 H new ATOM 1090 N LYS A 427 -12.384 32.597 -17.154 1.00 0.00 N ATOM 1091 CA LYS A 427 -10.943 32.820 -17.168 1.00 0.00 C ATOM 1092 C LYS A 427 -10.457 33.329 -15.815 1.00 0.00 C ATOM 1093 O LYS A 427 -9.868 32.582 -15.035 1.00 0.00 O ATOM 1094 CB LYS A 427 -10.572 33.821 -18.265 1.00 0.00 C ATOM 1095 CG LYS A 427 -9.090 34.151 -18.311 1.00 0.00 C ATOM 1096 CD LYS A 427 -8.706 34.807 -19.627 1.00 0.00 C ATOM 1097 CE LYS A 427 -7.470 34.159 -20.233 1.00 0.00 C ATOM 1098 NZ LYS A 427 -6.710 35.110 -21.091 1.00 0.00 N ATOM 0 H LYS A 427 -12.934 33.375 -17.517 1.00 0.00 H new ATOM 0 HA LYS A 427 -10.455 31.867 -17.374 1.00 0.00 H new ATOM 0 HB2 LYS A 427 -10.876 33.418 -19.231 1.00 0.00 H new ATOM 0 HB3 LYS A 427 -11.136 34.741 -18.112 1.00 0.00 H new ATOM 0 HG2 LYS A 427 -8.838 34.816 -17.485 1.00 0.00 H new ATOM 0 HG3 LYS A 427 -8.509 33.239 -18.175 1.00 0.00 H new ATOM 0 HD2 LYS A 427 -9.538 34.733 -20.328 1.00 0.00 H new ATOM 0 HD3 LYS A 427 -8.519 35.869 -19.465 1.00 0.00 H new ATOM 0 HE2 LYS A 427 -6.824 33.793 -19.435 1.00 0.00 H new ATOM 0 HE3 LYS A 427 -7.767 33.293 -20.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 -5.875 34.631 -21.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 -7.319 35.440 -21.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 -6.405 35.924 -20.521 1.00 0.00 H new ATOM 1112 N GLY A 428 -10.710 34.605 -15.542 1.00 0.00 N ATOM 1113 CA GLY A 428 -10.292 35.192 -14.282 1.00 0.00 C ATOM 1114 C GLY A 428 -9.599 36.527 -14.465 1.00 0.00 C ATOM 1115 O GLY A 428 -8.666 36.646 -15.260 1.00 0.00 O ATOM 0 H GLY A 428 -11.197 35.243 -16.171 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -11.163 35.323 -13.640 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -9.619 34.504 -13.770 1.00 0.00 H new ATOM 1119 N PHE A 429 -10.055 37.535 -13.729 1.00 0.00 N ATOM 1120 CA PHE A 429 -9.474 38.869 -13.816 1.00 0.00 C ATOM 1121 C PHE A 429 -9.112 39.396 -12.430 1.00 0.00 C ATOM 1122 O PHE A 429 -9.852 39.198 -11.466 1.00 0.00 O ATOM 1123 CB PHE A 429 -10.449 39.830 -14.500 1.00 0.00 C ATOM 1124 CG PHE A 429 -10.611 39.572 -15.971 1.00 0.00 C ATOM 1125 CD1 PHE A 429 -11.410 38.533 -16.421 1.00 0.00 C ATOM 1126 CD2 PHE A 429 -9.966 40.368 -16.903 1.00 0.00 C ATOM 1127 CE1 PHE A 429 -11.560 38.292 -17.774 1.00 0.00 C ATOM 1128 CE2 PHE A 429 -10.113 40.133 -18.257 1.00 0.00 C ATOM 1129 CZ PHE A 429 -10.912 39.094 -18.693 1.00 0.00 C ATOM 0 H PHE A 429 -10.825 37.453 -13.066 1.00 0.00 H new ATOM 0 HA PHE A 429 -8.563 38.803 -14.410 1.00 0.00 H new ATOM 0 HB2 PHE A 429 -11.423 39.753 -14.016 1.00 0.00 H new ATOM 0 HB3 PHE A 429 -10.101 40.853 -14.355 1.00 0.00 H new ATOM 0 HD1 PHE A 429 -11.921 37.905 -15.707 1.00 0.00 H new ATOM 0 HD2 PHE A 429 -9.341 41.182 -16.568 1.00 0.00 H new ATOM 0 HE1 PHE A 429 -12.183 37.477 -18.112 1.00 0.00 H new ATOM 0 HE2 PHE A 429 -9.604 40.761 -18.973 1.00 0.00 H new ATOM 0 HZ PHE A 429 -11.030 38.909 -19.751 1.00 0.00 H new ATOM 1139 N SER A 430 -7.969 40.068 -12.339 1.00 0.00 N ATOM 1140 CA SER A 430 -7.505 40.619 -11.071 1.00 0.00 C ATOM 1141 C SER A 430 -8.593 41.465 -10.417 1.00 0.00 C ATOM 1142 O SER A 430 -9.006 41.200 -9.288 1.00 0.00 O ATOM 1143 CB SER A 430 -6.248 41.464 -11.287 1.00 0.00 C ATOM 1144 OG SER A 430 -5.473 41.536 -10.103 1.00 0.00 O ATOM 0 H SER A 430 -7.347 40.244 -13.128 1.00 0.00 H new ATOM 0 HA SER A 430 -7.266 39.788 -10.408 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.651 41.034 -12.091 1.00 0.00 H new ATOM 0 HB3 SER A 430 -6.531 42.468 -11.602 1.00 0.00 H new ATOM 0 HG SER A 430 -4.674 42.080 -10.267 1.00 0.00 H new ATOM 1150 N ARG A 431 -9.053 42.485 -11.135 1.00 0.00 N ATOM 1151 CA ARG A 431 -10.092 43.371 -10.625 1.00 0.00 C ATOM 1152 C ARG A 431 -11.450 43.021 -11.227 1.00 0.00 C ATOM 1153 O ARG A 431 -11.545 42.364 -12.263 1.00 0.00 O ATOM 1154 CB ARG A 431 -9.746 44.829 -10.934 1.00 0.00 C ATOM 1155 CG ARG A 431 -9.144 45.576 -9.756 1.00 0.00 C ATOM 1156 CD ARG A 431 -7.656 45.293 -9.618 1.00 0.00 C ATOM 1157 NE ARG A 431 -6.909 46.478 -9.206 1.00 0.00 N ATOM 1158 CZ ARG A 431 -5.582 46.537 -9.174 1.00 0.00 C ATOM 1159 NH1 ARG A 431 -4.861 45.482 -9.528 1.00 0.00 N ATOM 1160 NH2 ARG A 431 -4.975 47.652 -8.788 1.00 0.00 N ATOM 0 H ARG A 431 -8.722 42.718 -12.071 1.00 0.00 H new ATOM 0 HA ARG A 431 -10.148 43.239 -9.544 1.00 0.00 H new ATOM 0 HB2 ARG A 431 -9.045 44.858 -11.768 1.00 0.00 H new ATOM 0 HB3 ARG A 431 -10.649 45.347 -11.258 1.00 0.00 H new ATOM 0 HG2 ARG A 431 -9.301 46.647 -9.884 1.00 0.00 H new ATOM 0 HG3 ARG A 431 -9.657 45.286 -8.839 1.00 0.00 H new ATOM 0 HD2 ARG A 431 -7.505 44.497 -8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 431 -7.266 44.931 -10.570 1.00 0.00 H new ATOM 0 HE ARG A 431 -7.435 47.306 -8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 431 -5.325 44.624 -9.825 1.00 0.00 H new ATOM 0 HH12 ARG A 431 -3.842 45.529 -9.503 1.00 0.00 H new ATOM 0 HH21 ARG A 431 -5.527 48.465 -8.515 1.00 0.00 H new ATOM 0 HH22 ARG A 431 -3.956 47.696 -8.764 1.00 0.00 H new ATOM 1174 N PRO A 432 -12.525 43.468 -10.562 1.00 0.00 N ATOM 1175 CA PRO A 432 -13.897 43.214 -11.013 1.00 0.00 C ATOM 1176 C PRO A 432 -14.241 43.982 -12.285 1.00 0.00 C ATOM 1177 O PRO A 432 -14.791 43.420 -13.231 1.00 0.00 O ATOM 1178 CB PRO A 432 -14.752 43.706 -9.843 1.00 0.00 C ATOM 1179 CG PRO A 432 -13.906 44.723 -9.157 1.00 0.00 C ATOM 1180 CD PRO A 432 -12.486 44.258 -9.320 1.00 0.00 C ATOM 0 HA PRO A 432 -14.056 42.165 -11.263 1.00 0.00 H new ATOM 0 HB2 PRO A 432 -15.689 44.141 -10.192 1.00 0.00 H new ATOM 0 HB3 PRO A 432 -15.011 42.888 -9.171 1.00 0.00 H new ATOM 0 HG2 PRO A 432 -14.047 45.710 -9.598 1.00 0.00 H new ATOM 0 HG3 PRO A 432 -14.171 44.805 -8.103 1.00 0.00 H new ATOM 0 HD2 PRO A 432 -11.795 45.097 -9.399 1.00 0.00 H new ATOM 0 HD3 PRO A 432 -12.160 43.656 -8.471 1.00 0.00 H new ATOM 1188 N ASP A 433 -13.913 45.269 -12.299 1.00 0.00 N ATOM 1189 CA ASP A 433 -14.186 46.115 -13.456 1.00 0.00 C ATOM 1190 C ASP A 433 -13.589 45.511 -14.723 1.00 0.00 C ATOM 1191 O ASP A 433 -14.121 45.689 -15.819 1.00 0.00 O ATOM 1192 CB ASP A 433 -13.624 47.520 -13.231 1.00 0.00 C ATOM 1193 CG ASP A 433 -14.712 48.574 -13.162 1.00 0.00 C ATOM 1194 OD1 ASP A 433 -15.650 48.407 -12.355 1.00 0.00 O ATOM 1195 OD2 ASP A 433 -14.625 49.566 -13.915 1.00 0.00 O ATOM 0 H ASP A 433 -13.458 45.750 -11.523 1.00 0.00 H new ATOM 0 HA ASP A 433 -15.267 46.181 -13.581 1.00 0.00 H new ATOM 0 HB2 ASP A 433 -13.049 47.534 -12.305 1.00 0.00 H new ATOM 0 HB3 ASP A 433 -12.934 47.766 -14.038 1.00 0.00 H new ATOM 1200 N HIS A 434 -12.478 44.798 -14.566 1.00 0.00 N ATOM 1201 CA HIS A 434 -11.808 44.168 -15.698 1.00 0.00 C ATOM 1202 C HIS A 434 -12.694 43.098 -16.328 1.00 0.00 C ATOM 1203 O HIS A 434 -12.708 42.927 -17.548 1.00 0.00 O ATOM 1204 CB HIS A 434 -10.481 43.552 -15.254 1.00 0.00 C ATOM 1205 CG HIS A 434 -9.460 44.565 -14.835 1.00 0.00 C ATOM 1206 ND1 HIS A 434 -8.107 44.396 -15.034 1.00 0.00 N ATOM 1207 CD2 HIS A 434 -9.603 45.764 -14.225 1.00 0.00 C ATOM 1208 CE1 HIS A 434 -7.460 45.448 -14.564 1.00 0.00 C ATOM 1209 NE2 HIS A 434 -8.345 46.293 -14.067 1.00 0.00 N ATOM 0 H HIS A 434 -12.023 44.642 -13.666 1.00 0.00 H new ATOM 0 HA HIS A 434 -11.611 44.937 -16.445 1.00 0.00 H new ATOM 0 HB2 HIS A 434 -10.666 42.870 -14.424 1.00 0.00 H new ATOM 0 HB3 HIS A 434 -10.075 42.956 -16.071 1.00 0.00 H new ATOM 0 HD2 HIS A 434 -10.533 46.220 -13.919 1.00 0.00 H new ATOM 0 HE1 HIS A 434 -6.390 45.592 -14.583 1.00 0.00 H new ATOM 0 HE2 HIS A 434 -8.130 47.192 -13.636 1.00 0.00 H new ATOM 1217 N LEU A 435 -13.432 42.379 -15.489 1.00 0.00 N ATOM 1218 CA LEU A 435 -14.321 41.324 -15.963 1.00 0.00 C ATOM 1219 C LEU A 435 -15.544 41.914 -16.658 1.00 0.00 C ATOM 1220 O LEU A 435 -16.021 41.378 -17.657 1.00 0.00 O ATOM 1221 CB LEU A 435 -14.761 40.438 -14.797 1.00 0.00 C ATOM 1222 CG LEU A 435 -15.701 39.284 -15.148 1.00 0.00 C ATOM 1223 CD1 LEU A 435 -15.003 38.285 -16.058 1.00 0.00 C ATOM 1224 CD2 LEU A 435 -16.199 38.599 -13.883 1.00 0.00 C ATOM 0 H LEU A 435 -13.432 42.507 -14.477 1.00 0.00 H new ATOM 0 HA LEU A 435 -13.773 40.718 -16.684 1.00 0.00 H new ATOM 0 HB2 LEU A 435 -13.870 40.024 -14.325 1.00 0.00 H new ATOM 0 HB3 LEU A 435 -15.252 41.067 -14.054 1.00 0.00 H new ATOM 0 HG LEU A 435 -16.561 39.690 -15.681 1.00 0.00 H new ATOM 0 HD11 LEU A 435 -15.687 37.471 -16.297 1.00 0.00 H new ATOM 0 HD12 LEU A 435 -14.696 38.783 -16.978 1.00 0.00 H new ATOM 0 HD13 LEU A 435 -14.125 37.884 -15.552 1.00 0.00 H new ATOM 0 HD21 LEU A 435 -16.867 37.780 -14.151 1.00 0.00 H new ATOM 0 HD22 LEU A 435 -15.350 38.206 -13.324 1.00 0.00 H new ATOM 0 HD23 LEU A 435 -16.737 39.319 -13.267 1.00 0.00 H new ATOM 1236 N ASN A 436 -16.045 43.022 -16.122 1.00 0.00 N ATOM 1237 CA ASN A 436 -17.212 43.687 -16.692 1.00 0.00 C ATOM 1238 C ASN A 436 -16.954 44.092 -18.140 1.00 0.00 C ATOM 1239 O ASN A 436 -17.870 44.117 -18.961 1.00 0.00 O ATOM 1240 CB ASN A 436 -17.578 44.919 -15.863 1.00 0.00 C ATOM 1241 CG ASN A 436 -18.508 45.860 -16.605 1.00 0.00 C ATOM 1242 OD1 ASN A 436 -19.729 45.707 -16.560 1.00 0.00 O ATOM 1243 ND2 ASN A 436 -17.933 46.839 -17.293 1.00 0.00 N ATOM 0 H ASN A 436 -15.662 43.478 -15.294 1.00 0.00 H new ATOM 0 HA ASN A 436 -18.045 42.984 -16.673 1.00 0.00 H new ATOM 0 HB2 ASN A 436 -18.052 44.601 -14.935 1.00 0.00 H new ATOM 0 HB3 ASN A 436 -16.668 45.453 -15.589 1.00 0.00 H new ATOM 0 HD21 ASN A 436 -18.507 47.503 -17.813 1.00 0.00 H new ATOM 0 HD22 ASN A 436 -16.917 46.928 -17.302 1.00 0.00 H new ATOM 1250 N GLY A 437 -15.700 44.409 -18.446 1.00 0.00 N ATOM 1251 CA GLY A 437 -15.343 44.809 -19.795 1.00 0.00 C ATOM 1252 C GLY A 437 -15.189 43.625 -20.729 1.00 0.00 C ATOM 1253 O GLY A 437 -15.492 43.719 -21.918 1.00 0.00 O ATOM 0 H GLY A 437 -14.924 44.396 -17.784 1.00 0.00 H new ATOM 0 HA2 GLY A 437 -16.108 45.479 -20.186 1.00 0.00 H new ATOM 0 HA3 GLY A 437 -14.410 45.371 -19.769 1.00 0.00 H new ATOM 1257 N HIS A 438 -14.715 42.506 -20.190 1.00 0.00 N ATOM 1258 CA HIS A 438 -14.520 41.298 -20.983 1.00 0.00 C ATOM 1259 C HIS A 438 -15.852 40.773 -21.510 1.00 0.00 C ATOM 1260 O HIS A 438 -15.982 40.461 -22.695 1.00 0.00 O ATOM 1261 CB HIS A 438 -13.828 40.220 -20.149 1.00 0.00 C ATOM 1262 CG HIS A 438 -13.841 38.866 -20.789 1.00 0.00 C ATOM 1263 ND1 HIS A 438 -12.776 38.361 -21.504 1.00 0.00 N ATOM 1264 CD2 HIS A 438 -14.799 37.910 -20.817 1.00 0.00 C ATOM 1265 CE1 HIS A 438 -13.078 37.153 -21.946 1.00 0.00 C ATOM 1266 NE2 HIS A 438 -14.300 36.855 -21.542 1.00 0.00 N ATOM 0 H HIS A 438 -14.459 42.411 -19.207 1.00 0.00 H new ATOM 0 HA HIS A 438 -13.887 41.550 -21.833 1.00 0.00 H new ATOM 0 HB2 HIS A 438 -12.795 40.518 -19.970 1.00 0.00 H new ATOM 0 HB3 HIS A 438 -14.315 40.157 -19.176 1.00 0.00 H new ATOM 0 HD2 HIS A 438 -15.774 37.966 -20.355 1.00 0.00 H new ATOM 0 HE1 HIS A 438 -12.435 36.517 -22.537 1.00 0.00 H new ATOM 0 HE2 HIS A 438 -14.793 35.983 -21.737 1.00 0.00 H new ATOM 1274 N ILE A 439 -16.837 40.677 -20.624 1.00 0.00 N ATOM 1275 CA ILE A 439 -18.158 40.190 -21.000 1.00 0.00 C ATOM 1276 C ILE A 439 -18.696 40.942 -22.213 1.00 0.00 C ATOM 1277 O ILE A 439 -19.418 40.379 -23.037 1.00 0.00 O ATOM 1278 CB ILE A 439 -19.161 40.327 -19.839 1.00 0.00 C ATOM 1279 CG1 ILE A 439 -18.666 39.552 -18.615 1.00 0.00 C ATOM 1280 CG2 ILE A 439 -20.535 39.833 -20.265 1.00 0.00 C ATOM 1281 CD1 ILE A 439 -19.329 39.977 -17.324 1.00 0.00 C ATOM 0 H ILE A 439 -16.745 40.930 -19.640 1.00 0.00 H new ATOM 0 HA ILE A 439 -18.046 39.135 -21.249 1.00 0.00 H new ATOM 0 HB ILE A 439 -19.242 41.380 -19.571 1.00 0.00 H new ATOM 0 HG12 ILE A 439 -18.843 38.488 -18.772 1.00 0.00 H new ATOM 0 HG13 ILE A 439 -17.588 39.685 -18.522 1.00 0.00 H new ATOM 0 HG21 ILE A 439 -21.233 39.936 -19.434 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -20.888 40.424 -21.110 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -20.471 38.785 -20.556 1.00 0.00 H new ATOM 0 HD11 ILE A 439 -18.931 39.387 -16.499 1.00 0.00 H new ATOM 0 HD12 ILE A 439 -19.130 41.033 -17.144 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -20.405 39.818 -17.398 1.00 0.00 H new ATOM 1293 N LYS A 440 -18.340 42.217 -22.317 1.00 0.00 N ATOM 1294 CA LYS A 440 -18.783 43.048 -23.431 1.00 0.00 C ATOM 1295 C LYS A 440 -17.776 43.006 -24.575 1.00 0.00 C ATOM 1296 O LYS A 440 -18.126 43.249 -25.730 1.00 0.00 O ATOM 1297 CB LYS A 440 -18.985 44.492 -22.968 1.00 0.00 C ATOM 1298 CG LYS A 440 -20.445 44.901 -22.871 1.00 0.00 C ATOM 1299 CD LYS A 440 -20.654 46.335 -23.329 1.00 0.00 C ATOM 1300 CE LYS A 440 -22.132 46.665 -23.470 1.00 0.00 C ATOM 1301 NZ LYS A 440 -22.595 47.599 -22.406 1.00 0.00 N ATOM 0 H LYS A 440 -17.745 42.699 -21.643 1.00 0.00 H new ATOM 0 HA LYS A 440 -19.733 42.652 -23.792 1.00 0.00 H new ATOM 0 HB2 LYS A 440 -18.515 44.621 -21.993 1.00 0.00 H new ATOM 0 HB3 LYS A 440 -18.474 45.161 -23.660 1.00 0.00 H new ATOM 0 HG2 LYS A 440 -21.053 44.231 -23.480 1.00 0.00 H new ATOM 0 HG3 LYS A 440 -20.786 44.793 -21.841 1.00 0.00 H new ATOM 0 HD2 LYS A 440 -20.194 47.017 -22.614 1.00 0.00 H new ATOM 0 HD3 LYS A 440 -20.153 46.490 -24.284 1.00 0.00 H new ATOM 0 HE2 LYS A 440 -22.313 47.110 -24.448 1.00 0.00 H new ATOM 0 HE3 LYS A 440 -22.715 45.745 -23.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 -23.607 47.800 -22.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 -22.446 47.164 -21.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 -22.056 48.486 -22.464 1.00 0.00 H new ATOM 1315 N GLN A 441 -16.526 42.695 -24.247 1.00 0.00 N ATOM 1316 CA GLN A 441 -15.469 42.621 -25.249 1.00 0.00 C ATOM 1317 C GLN A 441 -15.620 41.369 -26.107 1.00 0.00 C ATOM 1318 O GLN A 441 -15.901 41.452 -27.302 1.00 0.00 O ATOM 1319 CB GLN A 441 -14.097 42.630 -24.575 1.00 0.00 C ATOM 1320 CG GLN A 441 -13.245 43.834 -24.943 1.00 0.00 C ATOM 1321 CD GLN A 441 -11.808 43.462 -25.248 1.00 0.00 C ATOM 1322 OE1 GLN A 441 -11.543 42.546 -26.028 1.00 0.00 O ATOM 1323 NE2 GLN A 441 -10.869 44.172 -24.633 1.00 0.00 N ATOM 0 H GLN A 441 -16.221 42.490 -23.296 1.00 0.00 H new ATOM 0 HA GLN A 441 -15.553 43.495 -25.895 1.00 0.00 H new ATOM 0 HB2 GLN A 441 -14.233 42.609 -23.494 1.00 0.00 H new ATOM 0 HB3 GLN A 441 -13.562 41.720 -24.847 1.00 0.00 H new ATOM 0 HG2 GLN A 441 -13.680 44.330 -25.811 1.00 0.00 H new ATOM 0 HG3 GLN A 441 -13.264 44.552 -24.123 1.00 0.00 H new ATOM 0 HE21 GLN A 441 -11.133 44.922 -23.995 1.00 0.00 H new ATOM 0 HE22 GLN A 441 -9.884 43.967 -24.799 1.00 0.00 H new ATOM 1332 N VAL A 442 -15.429 40.207 -25.488 1.00 0.00 N ATOM 1333 CA VAL A 442 -15.544 38.937 -26.195 1.00 0.00 C ATOM 1334 C VAL A 442 -17.003 38.515 -26.334 1.00 0.00 C ATOM 1335 O VAL A 442 -17.512 38.361 -27.444 1.00 0.00 O ATOM 1336 CB VAL A 442 -14.765 37.821 -25.473 1.00 0.00 C ATOM 1337 CG1 VAL A 442 -14.741 36.556 -26.317 1.00 0.00 C ATOM 1338 CG2 VAL A 442 -13.352 38.283 -25.149 1.00 0.00 C ATOM 0 H VAL A 442 -15.194 40.120 -24.499 1.00 0.00 H new ATOM 0 HA VAL A 442 -15.116 39.087 -27.186 1.00 0.00 H new ATOM 0 HB VAL A 442 -15.273 37.594 -24.535 1.00 0.00 H new ATOM 0 HG11 VAL A 442 -14.187 35.778 -25.791 1.00 0.00 H new ATOM 0 HG12 VAL A 442 -15.762 36.217 -26.494 1.00 0.00 H new ATOM 0 HG13 VAL A 442 -14.257 36.764 -27.271 1.00 0.00 H new ATOM 0 HG21 VAL A 442 -12.815 37.483 -24.639 1.00 0.00 H new ATOM 0 HG22 VAL A 442 -12.832 38.538 -26.072 1.00 0.00 H new ATOM 0 HG23 VAL A 442 -13.395 39.160 -24.503 1.00 0.00 H new ATOM 1348 N HIS A 443 -17.670 38.331 -25.199 1.00 0.00 N ATOM 1349 CA HIS A 443 -19.072 37.929 -25.194 1.00 0.00 C ATOM 1350 C HIS A 443 -19.982 39.122 -25.470 1.00 0.00 C ATOM 1351 O HIS A 443 -19.513 40.201 -25.832 1.00 0.00 O ATOM 1352 CB HIS A 443 -19.437 37.294 -23.851 1.00 0.00 C ATOM 1353 CG HIS A 443 -18.430 36.298 -23.366 1.00 0.00 C ATOM 1354 ND1 HIS A 443 -18.273 35.049 -23.931 1.00 0.00 N ATOM 1355 CD2 HIS A 443 -17.523 36.372 -22.364 1.00 0.00 C ATOM 1356 CE1 HIS A 443 -17.315 34.398 -23.296 1.00 0.00 C ATOM 1357 NE2 HIS A 443 -16.843 35.179 -22.341 1.00 0.00 N ATOM 0 H HIS A 443 -17.263 38.454 -24.272 1.00 0.00 H new ATOM 0 HA HIS A 443 -19.216 37.195 -25.987 1.00 0.00 H new ATOM 0 HB2 HIS A 443 -19.546 38.081 -23.104 1.00 0.00 H new ATOM 0 HB3 HIS A 443 -20.406 36.804 -23.942 1.00 0.00 H new ATOM 0 HD1 HIS A 443 -18.813 34.685 -24.716 1.00 0.00 H new ATOM 0 HD2 HIS A 443 -17.364 37.213 -21.705 1.00 0.00 H new ATOM 0 HE1 HIS A 443 -16.975 33.397 -23.520 1.00 0.00 H new