USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 421 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 425 ASN : amide:sc= -0.708 K(o=-0.71,f=-0.09) USER MOD Single : A 429 CYS SG : rot -117:sc=-0.00837 USER MOD Single : A 435 ASN : amide:sc= -9.51! C(o=-9.5!,f=-13!) USER MOD Single : A 437 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 439 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.344) USER MOD Single : A 442 SER OG : rot 180:sc= 0 USER MOD Single : A 446 ASN : amide:sc= -0.0132 X(o=-0.013,f=-0.49) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 THR OG1 : rot 180:sc= 0 USER MOD Single : A 451 MET CE :methyl -150:sc= -0.0205 (180deg=-1.79) USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 HIS : no HD1:sc= 0.474 K(o=0.47,f=-5.1!) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 460 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 466 GLN : amide:sc=-0.000845 K(o=-0.00084,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 420 -10.409 1.542 5.357 1.00 0.00 N ATOM 67 CA PHE A 420 -9.673 0.298 5.158 1.00 0.00 C ATOM 68 C PHE A 420 -8.745 0.021 6.337 1.00 0.00 C ATOM 69 O PHE A 420 -8.250 0.946 6.980 1.00 0.00 O ATOM 70 CB PHE A 420 -8.864 0.361 3.861 1.00 0.00 C ATOM 71 CG PHE A 420 -9.714 0.513 2.631 1.00 0.00 C ATOM 72 CD1 PHE A 420 -10.333 -0.587 2.060 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.892 1.756 2.046 1.00 0.00 C ATOM 74 CE1 PHE A 420 -11.115 -0.451 0.929 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.674 1.899 0.915 1.00 0.00 C ATOM 76 CZ PHE A 420 -11.285 0.793 0.355 1.00 0.00 C ATOM 0 HA PHE A 420 -10.395 -0.515 5.088 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -8.167 1.197 3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -8.267 -0.546 3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -10.203 -1.563 2.504 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.415 2.623 2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -11.593 -1.317 0.495 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -10.807 2.874 0.470 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.894 0.902 -0.530 1.00 0.00 H new ATOM 86 N GLN A 421 -8.514 -1.258 6.612 1.00 0.00 N ATOM 87 CA GLN A 421 -7.646 -1.657 7.714 1.00 0.00 C ATOM 88 C GLN A 421 -6.358 -2.285 7.193 1.00 0.00 C ATOM 89 O GLN A 421 -6.339 -2.957 6.161 1.00 0.00 O ATOM 90 CB GLN A 421 -8.372 -2.643 8.632 1.00 0.00 C ATOM 91 CG GLN A 421 -9.401 -3.500 7.912 1.00 0.00 C ATOM 92 CD GLN A 421 -10.056 -4.516 8.826 1.00 0.00 C ATOM 93 OE1 GLN A 421 -9.408 -5.449 9.302 1.00 0.00 O ATOM 94 NE2 GLN A 421 -11.348 -4.342 9.076 1.00 0.00 N ATOM 0 H GLN A 421 -8.915 -2.036 6.088 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.389 -0.763 8.282 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -7.637 -3.294 9.106 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -8.867 -2.088 9.429 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -10.168 -2.856 7.482 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -8.920 -4.019 7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -11.846 -3.555 8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -11.842 -4.995 9.684 1.00 0.00 H new ATOM 103 N PRO A 422 -5.253 -2.061 7.920 1.00 0.00 N ATOM 104 CA PRO A 422 -3.940 -2.596 7.550 1.00 0.00 C ATOM 105 C PRO A 422 -3.862 -4.109 7.718 1.00 0.00 C ATOM 106 O PRO A 422 -4.676 -4.708 8.419 1.00 0.00 O ATOM 107 CB PRO A 422 -2.986 -1.900 8.524 1.00 0.00 C ATOM 108 CG PRO A 422 -3.831 -1.560 9.704 1.00 0.00 C ATOM 109 CD PRO A 422 -5.202 -1.268 9.160 1.00 0.00 C ATOM 0 HA PRO A 422 -3.707 -2.415 6.501 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -2.160 -2.553 8.804 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.549 -1.006 8.079 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.861 -2.386 10.414 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.430 -0.697 10.236 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.983 -1.565 9.859 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.338 -0.205 8.963 1.00 0.00 H new ATOM 117 N GLY A 423 -2.876 -4.722 7.069 1.00 0.00 N ATOM 118 CA GLY A 423 -2.710 -6.161 7.160 1.00 0.00 C ATOM 119 C GLY A 423 -3.180 -6.879 5.910 1.00 0.00 C ATOM 120 O GLY A 423 -2.781 -8.015 5.652 1.00 0.00 O ATOM 0 H GLY A 423 -2.190 -4.248 6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.659 -6.392 7.335 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.266 -6.534 8.020 1.00 0.00 H new ATOM 124 N ASP A 424 -4.030 -6.217 5.134 1.00 0.00 N ATOM 125 CA ASP A 424 -4.555 -6.799 3.904 1.00 0.00 C ATOM 126 C ASP A 424 -3.576 -6.606 2.750 1.00 0.00 C ATOM 127 O ASP A 424 -2.602 -5.865 2.867 1.00 0.00 O ATOM 128 CB ASP A 424 -5.906 -6.172 3.554 1.00 0.00 C ATOM 129 CG ASP A 424 -6.967 -6.464 4.596 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.482 -7.602 4.616 1.00 0.00 O ATOM 131 OD2 ASP A 424 -7.283 -5.556 5.392 1.00 0.00 O ATOM 0 H ASP A 424 -4.371 -5.277 5.334 1.00 0.00 H new ATOM 0 HA ASP A 424 -4.691 -7.868 4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -5.787 -5.093 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.238 -6.548 2.586 1.00 0.00 H new ATOM 136 N ASN A 425 -3.843 -7.280 1.636 1.00 0.00 N ATOM 137 CA ASN A 425 -2.984 -7.184 0.461 1.00 0.00 C ATOM 138 C ASN A 425 -3.601 -6.266 -0.590 1.00 0.00 C ATOM 139 O ASN A 425 -4.819 -6.236 -0.765 1.00 0.00 O ATOM 140 CB ASN A 425 -2.744 -8.572 -0.136 1.00 0.00 C ATOM 141 CG ASN A 425 -2.194 -9.552 0.883 1.00 0.00 C ATOM 142 OD1 ASN A 425 -1.014 -9.903 0.849 1.00 0.00 O ATOM 143 ND2 ASN A 425 -3.049 -9.999 1.795 1.00 0.00 N ATOM 0 H ASN A 425 -4.646 -7.898 1.522 1.00 0.00 H new ATOM 0 HA ASN A 425 -2.030 -6.760 0.773 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -3.680 -8.958 -0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -2.047 -8.490 -0.970 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -2.737 -10.661 2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -4.018 -9.681 1.785 1.00 0.00 H new ATOM 150 N VAL A 426 -2.751 -5.519 -1.288 1.00 0.00 N ATOM 151 CA VAL A 426 -3.212 -4.602 -2.323 1.00 0.00 C ATOM 152 C VAL A 426 -2.138 -4.385 -3.383 1.00 0.00 C ATOM 153 O VAL A 426 -1.027 -4.903 -3.270 1.00 0.00 O ATOM 154 CB VAL A 426 -3.612 -3.239 -1.728 1.00 0.00 C ATOM 155 CG1 VAL A 426 -4.933 -3.349 -0.981 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.515 -2.715 -0.812 1.00 0.00 C ATOM 0 H VAL A 426 -1.740 -5.531 -1.155 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.087 -5.060 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.742 -2.530 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -5.199 -2.376 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.713 -3.677 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.834 -4.072 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -2.814 -1.751 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -2.352 -3.422 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.592 -2.596 -1.380 1.00 0.00 H new ATOM 166 N GLU A 427 -2.477 -3.616 -4.413 1.00 0.00 N ATOM 167 CA GLU A 427 -1.540 -3.331 -5.494 1.00 0.00 C ATOM 168 C GLU A 427 -1.778 -1.937 -6.067 1.00 0.00 C ATOM 169 O GLU A 427 -2.856 -1.364 -5.909 1.00 0.00 O ATOM 170 CB GLU A 427 -1.672 -4.379 -6.601 1.00 0.00 C ATOM 171 CG GLU A 427 -0.737 -4.143 -7.776 1.00 0.00 C ATOM 172 CD GLU A 427 -0.807 -5.251 -8.809 1.00 0.00 C ATOM 173 OE1 GLU A 427 -1.927 -5.584 -9.248 1.00 0.00 O ATOM 174 OE2 GLU A 427 0.260 -5.785 -9.177 1.00 0.00 O ATOM 0 H GLU A 427 -3.392 -3.180 -4.522 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.530 -3.369 -5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -1.474 -5.365 -6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.701 -4.387 -6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -0.987 -3.194 -8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.286 -4.057 -7.410 1.00 0.00 H new ATOM 181 N VAL A 428 -0.763 -1.396 -6.732 1.00 0.00 N ATOM 182 CA VAL A 428 -0.860 -0.069 -7.330 1.00 0.00 C ATOM 183 C VAL A 428 -1.551 -0.127 -8.688 1.00 0.00 C ATOM 184 O VAL A 428 -1.373 -1.082 -9.445 1.00 0.00 O ATOM 185 CB VAL A 428 0.529 0.573 -7.500 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.417 1.902 -8.231 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.201 0.755 -6.147 1.00 0.00 C ATOM 0 H VAL A 428 0.137 -1.856 -6.871 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.453 0.542 -6.650 1.00 0.00 H new ATOM 0 HB VAL A 428 1.147 -0.094 -8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.409 2.341 -8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -0.020 1.740 -9.216 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.218 2.579 -7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.182 1.210 -6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.587 1.401 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.316 -0.216 -5.665 1.00 0.00 H new ATOM 197 N CYS A 429 -2.337 0.899 -8.989 1.00 0.00 N ATOM 198 CA CYS A 429 -3.056 0.966 -10.257 1.00 0.00 C ATOM 199 C CYS A 429 -2.475 2.053 -11.155 1.00 0.00 C ATOM 200 O CYS A 429 -2.527 1.953 -12.380 1.00 0.00 O ATOM 201 CB CYS A 429 -4.542 1.230 -10.012 1.00 0.00 C ATOM 202 SG CYS A 429 -4.887 2.804 -9.193 1.00 0.00 S ATOM 0 H CYS A 429 -2.493 1.697 -8.373 1.00 0.00 H new ATOM 0 HA CYS A 429 -2.944 0.006 -10.761 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -5.066 1.207 -10.967 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -4.949 0.421 -9.406 1.00 0.00 H new ATOM 0 HG CYS A 429 -5.438 2.580 -8.037 1.00 0.00 H new ATOM 208 N GLU A 430 -1.924 3.093 -10.536 1.00 0.00 N ATOM 209 CA GLU A 430 -1.336 4.200 -11.280 1.00 0.00 C ATOM 210 C GLU A 430 -0.070 4.706 -10.594 1.00 0.00 C ATOM 211 O GLU A 430 0.158 4.440 -9.415 1.00 0.00 O ATOM 212 CB GLU A 430 -2.344 5.342 -11.420 1.00 0.00 C ATOM 213 CG GLU A 430 -1.960 6.369 -12.472 1.00 0.00 C ATOM 214 CD GLU A 430 -1.075 7.468 -11.918 1.00 0.00 C ATOM 215 OE1 GLU A 430 -1.504 8.151 -10.965 1.00 0.00 O ATOM 216 OE2 GLU A 430 0.047 7.646 -12.438 1.00 0.00 O ATOM 0 H GLU A 430 -1.873 3.191 -9.522 1.00 0.00 H new ATOM 0 HA GLU A 430 -1.070 3.836 -12.272 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -3.320 4.925 -11.671 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.449 5.842 -10.457 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -1.443 5.869 -13.291 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -2.864 6.812 -12.890 1.00 0.00 H new ATOM 223 N GLY A 431 0.750 5.437 -11.342 1.00 0.00 N ATOM 224 CA GLY A 431 1.983 5.968 -10.790 1.00 0.00 C ATOM 225 C GLY A 431 3.201 5.178 -11.226 1.00 0.00 C ATOM 226 O GLY A 431 3.077 4.062 -11.729 1.00 0.00 O ATOM 0 H GLY A 431 0.583 5.671 -12.321 1.00 0.00 H new ATOM 0 HA2 GLY A 431 2.098 7.007 -11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 431 1.922 5.964 -9.702 1.00 0.00 H new ATOM 230 N GLU A 432 4.381 5.760 -11.035 1.00 0.00 N ATOM 231 CA GLU A 432 5.626 5.103 -11.415 1.00 0.00 C ATOM 232 C GLU A 432 5.762 3.751 -10.720 1.00 0.00 C ATOM 233 O GLU A 432 6.235 2.780 -11.312 1.00 0.00 O ATOM 234 CB GLU A 432 6.823 5.990 -11.067 1.00 0.00 C ATOM 235 CG GLU A 432 8.161 5.277 -11.175 1.00 0.00 C ATOM 236 CD GLU A 432 8.687 5.235 -12.597 1.00 0.00 C ATOM 237 OE1 GLU A 432 8.899 6.317 -13.183 1.00 0.00 O ATOM 238 OE2 GLU A 432 8.886 4.120 -13.123 1.00 0.00 O ATOM 0 H GLU A 432 4.501 6.684 -10.620 1.00 0.00 H new ATOM 0 HA GLU A 432 5.606 4.938 -12.492 1.00 0.00 H new ATOM 0 HB2 GLU A 432 6.828 6.856 -11.729 1.00 0.00 H new ATOM 0 HB3 GLU A 432 6.702 6.366 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 432 8.888 5.779 -10.537 1.00 0.00 H new ATOM 0 HG3 GLU A 432 8.057 4.259 -10.800 1.00 0.00 H new ATOM 245 N LEU A 433 5.345 3.695 -9.460 1.00 0.00 N ATOM 246 CA LEU A 433 5.420 2.463 -8.683 1.00 0.00 C ATOM 247 C LEU A 433 4.230 1.557 -8.982 1.00 0.00 C ATOM 248 O LEU A 433 3.688 0.911 -8.085 1.00 0.00 O ATOM 249 CB LEU A 433 5.468 2.782 -7.187 1.00 0.00 C ATOM 250 CG LEU A 433 6.821 3.244 -6.643 1.00 0.00 C ATOM 251 CD1 LEU A 433 6.643 3.981 -5.325 1.00 0.00 C ATOM 252 CD2 LEU A 433 7.759 2.058 -6.471 1.00 0.00 C ATOM 0 H LEU A 433 4.951 4.489 -8.955 1.00 0.00 H new ATOM 0 HA LEU A 433 6.333 1.939 -8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 433 4.731 3.557 -6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 433 5.162 1.893 -6.636 1.00 0.00 H new ATOM 0 HG LEU A 433 7.265 3.932 -7.363 1.00 0.00 H new ATOM 0 HD11 LEU A 433 7.616 4.302 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 433 6.008 4.853 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 433 6.178 3.317 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 433 8.717 2.405 -6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 433 7.321 1.346 -5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.912 1.572 -7.435 1.00 0.00 H new ATOM 264 N ILE A 434 3.831 1.513 -10.249 1.00 0.00 N ATOM 265 CA ILE A 434 2.708 0.683 -10.667 1.00 0.00 C ATOM 266 C ILE A 434 3.030 -0.799 -10.507 1.00 0.00 C ATOM 267 O ILE A 434 4.177 -1.172 -10.268 1.00 0.00 O ATOM 268 CB ILE A 434 2.319 0.958 -12.132 1.00 0.00 C ATOM 269 CG1 ILE A 434 0.946 0.357 -12.439 1.00 0.00 C ATOM 270 CG2 ILE A 434 3.373 0.395 -13.073 1.00 0.00 C ATOM 271 CD1 ILE A 434 0.263 0.990 -13.632 1.00 0.00 C ATOM 0 H ILE A 434 4.269 2.042 -11.003 1.00 0.00 H new ATOM 0 HA ILE A 434 1.868 0.941 -10.022 1.00 0.00 H new ATOM 0 HB ILE A 434 2.264 2.036 -12.283 1.00 0.00 H new ATOM 0 HG12 ILE A 434 1.058 -0.712 -12.620 1.00 0.00 H new ATOM 0 HG13 ILE A 434 0.306 0.467 -11.563 1.00 0.00 H new ATOM 0 HG21 ILE A 434 3.085 0.597 -14.105 1.00 0.00 H new ATOM 0 HG22 ILE A 434 4.334 0.866 -12.866 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.456 -0.681 -12.924 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -0.705 0.515 -13.791 1.00 0.00 H new ATOM 0 HD12 ILE A 434 0.119 2.054 -13.446 1.00 0.00 H new ATOM 0 HD13 ILE A 434 0.883 0.857 -14.519 1.00 0.00 H new ATOM 283 N ASN A 435 2.008 -1.638 -10.643 1.00 0.00 N ATOM 284 CA ASN A 435 2.183 -3.081 -10.515 1.00 0.00 C ATOM 285 C ASN A 435 3.017 -3.421 -9.284 1.00 0.00 C ATOM 286 O ASN A 435 3.897 -4.281 -9.335 1.00 0.00 O ATOM 287 CB ASN A 435 2.850 -3.648 -11.770 1.00 0.00 C ATOM 288 CG ASN A 435 4.223 -3.051 -12.014 1.00 0.00 C ATOM 289 OD1 ASN A 435 4.368 -2.087 -12.767 1.00 0.00 O ATOM 290 ND2 ASN A 435 5.239 -3.623 -11.378 1.00 0.00 N ATOM 0 H ASN A 435 1.052 -1.344 -10.841 1.00 0.00 H new ATOM 0 HA ASN A 435 1.198 -3.533 -10.400 1.00 0.00 H new ATOM 0 HB2 ASN A 435 2.939 -4.730 -11.674 1.00 0.00 H new ATOM 0 HB3 ASN A 435 2.214 -3.456 -12.634 1.00 0.00 H new ATOM 0 HD21 ASN A 435 6.186 -3.265 -11.504 1.00 0.00 H new ATOM 0 HD22 ASN A 435 5.072 -4.420 -10.764 1.00 0.00 H new ATOM 297 N LEU A 436 2.734 -2.740 -8.178 1.00 0.00 N ATOM 298 CA LEU A 436 3.457 -2.970 -6.932 1.00 0.00 C ATOM 299 C LEU A 436 2.521 -3.495 -5.848 1.00 0.00 C ATOM 300 O LEU A 436 1.752 -2.735 -5.260 1.00 0.00 O ATOM 301 CB LEU A 436 4.127 -1.678 -6.463 1.00 0.00 C ATOM 302 CG LEU A 436 5.004 -1.791 -5.215 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.227 -2.649 -5.499 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.419 -0.411 -4.728 1.00 0.00 C ATOM 0 H LEU A 436 2.009 -2.025 -8.119 1.00 0.00 H new ATOM 0 HA LEU A 436 4.224 -3.722 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.739 -1.293 -7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.350 -0.938 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 436 4.423 -2.272 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 436 6.839 -2.718 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 436 5.909 -3.647 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.810 -2.197 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 436 6.042 -0.511 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.982 0.097 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.530 0.171 -4.484 1.00 0.00 H new ATOM 316 N GLN A 437 2.595 -4.796 -5.589 1.00 0.00 N ATOM 317 CA GLN A 437 1.755 -5.421 -4.574 1.00 0.00 C ATOM 318 C GLN A 437 2.493 -5.523 -3.244 1.00 0.00 C ATOM 319 O GLN A 437 3.722 -5.477 -3.199 1.00 0.00 O ATOM 320 CB GLN A 437 1.312 -6.811 -5.034 1.00 0.00 C ATOM 321 CG GLN A 437 2.468 -7.767 -5.282 1.00 0.00 C ATOM 322 CD GLN A 437 2.054 -9.222 -5.184 1.00 0.00 C ATOM 323 OE1 GLN A 437 1.487 -9.782 -6.122 1.00 0.00 O ATOM 324 NE2 GLN A 437 2.335 -9.842 -4.044 1.00 0.00 N ATOM 0 H GLN A 437 3.227 -5.438 -6.067 1.00 0.00 H new ATOM 0 HA GLN A 437 0.874 -4.795 -4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 437 0.651 -7.240 -4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 437 0.730 -6.713 -5.950 1.00 0.00 H new ATOM 0 HG2 GLN A 437 2.885 -7.578 -6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 437 3.260 -7.569 -4.559 1.00 0.00 H new ATOM 0 HE21 GLN A 437 2.806 -9.339 -3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 437 2.079 -10.822 -3.920 1.00 0.00 H new ATOM 333 N GLY A 438 1.735 -5.663 -2.160 1.00 0.00 N ATOM 334 CA GLY A 438 2.335 -5.769 -0.843 1.00 0.00 C ATOM 335 C GLY A 438 1.300 -5.801 0.264 1.00 0.00 C ATOM 336 O GLY A 438 0.098 -5.810 0.001 1.00 0.00 O ATOM 0 H GLY A 438 0.716 -5.705 -2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 438 2.942 -6.673 -0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 438 3.007 -4.925 -0.684 1.00 0.00 H new ATOM 340 N LYS A 439 1.768 -5.820 1.508 1.00 0.00 N ATOM 341 CA LYS A 439 0.876 -5.852 2.661 1.00 0.00 C ATOM 342 C LYS A 439 0.740 -4.465 3.282 1.00 0.00 C ATOM 343 O LYS A 439 1.685 -3.676 3.273 1.00 0.00 O ATOM 344 CB LYS A 439 1.395 -6.842 3.706 1.00 0.00 C ATOM 345 CG LYS A 439 0.845 -8.248 3.537 1.00 0.00 C ATOM 346 CD LYS A 439 1.833 -9.295 4.024 1.00 0.00 C ATOM 347 CE LYS A 439 2.939 -9.532 3.007 1.00 0.00 C ATOM 348 NZ LYS A 439 2.450 -10.290 1.822 1.00 0.00 N ATOM 0 H LYS A 439 2.761 -5.814 1.743 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.107 -6.176 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 439 2.483 -6.877 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 439 1.137 -6.477 4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -0.090 -8.343 4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 439 0.613 -8.425 2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 439 2.269 -8.973 4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 439 1.308 -10.231 4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 439 3.346 -8.574 2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 439 3.754 -10.081 3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 3.124 -11.048 1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 1.521 -10.705 2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 2.364 -9.646 1.010 1.00 0.00 H new ATOM 362 N ILE A 440 -0.439 -4.177 3.822 1.00 0.00 N ATOM 363 CA ILE A 440 -0.697 -2.887 4.450 1.00 0.00 C ATOM 364 C ILE A 440 -0.271 -2.893 5.914 1.00 0.00 C ATOM 365 O ILE A 440 -0.407 -3.903 6.607 1.00 0.00 O ATOM 366 CB ILE A 440 -2.186 -2.505 4.362 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.684 -2.634 2.921 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.401 -1.090 4.877 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.191 -2.694 2.805 1.00 0.00 C ATOM 0 H ILE A 440 -1.231 -4.820 3.837 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.108 -2.148 3.906 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.759 -3.190 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.317 -1.787 2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.258 -3.533 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.458 -0.835 4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -2.080 -1.028 5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.819 -0.392 4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.472 -2.785 1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.564 -3.557 3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.624 -1.783 3.219 1.00 0.00 H new ATOM 381 N LEU A 441 0.243 -1.761 6.380 1.00 0.00 N ATOM 382 CA LEU A 441 0.687 -1.634 7.764 1.00 0.00 C ATOM 383 C LEU A 441 -0.290 -0.789 8.575 1.00 0.00 C ATOM 384 O LEU A 441 -0.719 -1.186 9.658 1.00 0.00 O ATOM 385 CB LEU A 441 2.083 -1.011 7.817 1.00 0.00 C ATOM 386 CG LEU A 441 3.255 -1.973 7.620 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.478 -1.227 7.107 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.576 -2.696 8.919 1.00 0.00 C ATOM 0 H LEU A 441 0.363 -0.917 5.820 1.00 0.00 H new ATOM 0 HA LEU A 441 0.724 -2.632 8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.143 -0.236 7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.202 -0.517 8.781 1.00 0.00 H new ATOM 0 HG LEU A 441 2.969 -2.716 6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.302 -1.928 6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.243 -0.756 6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 441 4.766 -0.462 7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.413 -3.376 8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.842 -1.967 9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.704 -3.263 9.245 1.00 0.00 H new ATOM 400 N SER A 442 -0.641 0.377 8.041 1.00 0.00 N ATOM 401 CA SER A 442 -1.567 1.279 8.716 1.00 0.00 C ATOM 402 C SER A 442 -2.321 2.138 7.706 1.00 0.00 C ATOM 403 O SER A 442 -2.044 2.095 6.507 1.00 0.00 O ATOM 404 CB SER A 442 -0.813 2.173 9.702 1.00 0.00 C ATOM 405 OG SER A 442 -1.649 2.563 10.778 1.00 0.00 O ATOM 0 H SER A 442 -0.298 0.719 7.143 1.00 0.00 H new ATOM 0 HA SER A 442 -2.290 0.675 9.264 1.00 0.00 H new ATOM 0 HB2 SER A 442 0.057 1.642 10.087 1.00 0.00 H new ATOM 0 HB3 SER A 442 -0.443 3.059 9.185 1.00 0.00 H new ATOM 0 HG SER A 442 -1.144 3.132 11.395 1.00 0.00 H new ATOM 411 N VAL A 443 -3.277 2.918 8.199 1.00 0.00 N ATOM 412 CA VAL A 443 -4.072 3.789 7.342 1.00 0.00 C ATOM 413 C VAL A 443 -4.171 5.194 7.926 1.00 0.00 C ATOM 414 O VAL A 443 -4.775 5.398 8.980 1.00 0.00 O ATOM 415 CB VAL A 443 -5.492 3.229 7.135 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.341 4.208 6.338 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.435 1.875 6.445 1.00 0.00 C ATOM 0 H VAL A 443 -3.520 2.965 9.189 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.564 3.835 6.379 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.957 3.094 8.112 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.341 3.795 6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.409 5.153 6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.883 4.378 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.447 1.494 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -4.952 1.982 5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.866 1.177 7.059 1.00 0.00 H new ATOM 427 N ASP A 444 -3.576 6.160 7.235 1.00 0.00 N ATOM 428 CA ASP A 444 -3.598 7.547 7.684 1.00 0.00 C ATOM 429 C ASP A 444 -4.498 8.393 6.788 1.00 0.00 C ATOM 430 O ASP A 444 -4.030 9.024 5.841 1.00 0.00 O ATOM 431 CB ASP A 444 -2.182 8.124 7.697 1.00 0.00 C ATOM 432 CG ASP A 444 -1.274 7.407 8.677 1.00 0.00 C ATOM 433 OD1 ASP A 444 -0.978 6.216 8.448 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.860 8.037 9.673 1.00 0.00 O ATOM 0 H ASP A 444 -3.072 6.008 6.361 1.00 0.00 H new ATOM 0 HA ASP A 444 -3.999 7.569 8.697 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.756 8.057 6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -2.226 9.182 7.954 1.00 0.00 H new ATOM 439 N GLY A 445 -5.791 8.401 7.095 1.00 0.00 N ATOM 440 CA GLY A 445 -6.736 9.173 6.308 1.00 0.00 C ATOM 441 C GLY A 445 -6.684 8.822 4.834 1.00 0.00 C ATOM 442 O GLY A 445 -7.199 7.786 4.417 1.00 0.00 O ATOM 0 H GLY A 445 -6.202 7.887 7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.744 9.000 6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.526 10.235 6.433 1.00 0.00 H new ATOM 446 N ASN A 446 -6.062 9.690 4.042 1.00 0.00 N ATOM 447 CA ASN A 446 -5.947 9.468 2.606 1.00 0.00 C ATOM 448 C ASN A 446 -4.676 8.691 2.275 1.00 0.00 C ATOM 449 O ASN A 446 -4.618 7.969 1.280 1.00 0.00 O ATOM 450 CB ASN A 446 -5.950 10.804 1.860 1.00 0.00 C ATOM 451 CG ASN A 446 -6.340 10.652 0.402 1.00 0.00 C ATOM 452 OD1 ASN A 446 -7.282 9.932 0.072 1.00 0.00 O ATOM 453 ND2 ASN A 446 -5.614 11.331 -0.478 1.00 0.00 N ATOM 0 H ASN A 446 -5.630 10.553 4.371 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.806 8.878 2.285 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -6.643 11.488 2.349 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -4.959 11.254 1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -5.829 11.268 -1.473 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -4.842 11.916 -0.159 1.00 0.00 H new ATOM 460 N LYS A 447 -3.660 8.845 3.117 1.00 0.00 N ATOM 461 CA LYS A 447 -2.389 8.157 2.917 1.00 0.00 C ATOM 462 C LYS A 447 -2.431 6.753 3.512 1.00 0.00 C ATOM 463 O LYS A 447 -3.041 6.531 4.558 1.00 0.00 O ATOM 464 CB LYS A 447 -1.248 8.957 3.550 1.00 0.00 C ATOM 465 CG LYS A 447 -0.733 10.082 2.669 1.00 0.00 C ATOM 466 CD LYS A 447 -1.590 11.330 2.799 1.00 0.00 C ATOM 467 CE LYS A 447 -1.144 12.415 1.832 1.00 0.00 C ATOM 468 NZ LYS A 447 -2.176 13.478 1.677 1.00 0.00 N ATOM 0 H LYS A 447 -3.691 9.440 3.945 1.00 0.00 H new ATOM 0 HA LYS A 447 -2.214 8.073 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.590 9.375 4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.425 8.281 3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.296 10.316 2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -0.721 9.755 1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -2.633 11.078 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -1.534 11.706 3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -0.215 12.860 2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.932 11.970 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -1.834 14.199 1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -3.055 13.058 1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -2.360 13.920 2.600 1.00 0.00 H new ATOM 482 N ILE A 448 -1.779 5.811 2.839 1.00 0.00 N ATOM 483 CA ILE A 448 -1.740 4.430 3.303 1.00 0.00 C ATOM 484 C ILE A 448 -0.311 3.899 3.331 1.00 0.00 C ATOM 485 O ILE A 448 0.220 3.461 2.310 1.00 0.00 O ATOM 486 CB ILE A 448 -2.600 3.513 2.413 1.00 0.00 C ATOM 487 CG1 ILE A 448 -3.970 4.146 2.163 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.753 2.143 3.057 1.00 0.00 C ATOM 489 CD1 ILE A 448 -4.866 4.149 3.382 1.00 0.00 C ATOM 0 H ILE A 448 -1.271 5.979 1.971 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.146 4.425 4.315 1.00 0.00 H new ATOM 0 HB ILE A 448 -2.098 3.388 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.830 5.172 1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.468 3.607 1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.363 1.506 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -1.770 1.691 3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.236 2.249 4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.820 4.613 3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -5.036 3.124 3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.388 4.713 4.183 1.00 0.00 H new ATOM 501 N THR A 449 0.307 3.940 4.507 1.00 0.00 N ATOM 502 CA THR A 449 1.675 3.462 4.669 1.00 0.00 C ATOM 503 C THR A 449 1.735 1.940 4.622 1.00 0.00 C ATOM 504 O THR A 449 1.240 1.262 5.523 1.00 0.00 O ATOM 505 CB THR A 449 2.286 3.949 5.996 1.00 0.00 C ATOM 506 OG1 THR A 449 2.238 5.378 6.063 1.00 0.00 O ATOM 507 CG2 THR A 449 3.726 3.478 6.133 1.00 0.00 C ATOM 0 H THR A 449 -0.118 4.299 5.362 1.00 0.00 H new ATOM 0 HA THR A 449 2.253 3.870 3.840 1.00 0.00 H new ATOM 0 HB THR A 449 1.703 3.528 6.815 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.627 5.679 6.911 1.00 0.00 H new ATOM 0 HG21 THR A 449 4.137 3.834 7.078 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.756 2.389 6.112 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.318 3.874 5.308 1.00 0.00 H new ATOM 515 N ILE A 450 2.344 1.408 3.568 1.00 0.00 N ATOM 516 CA ILE A 450 2.470 -0.035 3.406 1.00 0.00 C ATOM 517 C ILE A 450 3.880 -0.418 2.968 1.00 0.00 C ATOM 518 O ILE A 450 4.735 0.445 2.769 1.00 0.00 O ATOM 519 CB ILE A 450 1.460 -0.576 2.376 1.00 0.00 C ATOM 520 CG1 ILE A 450 1.862 -0.150 0.963 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.057 -0.087 2.704 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.157 -0.929 -0.126 1.00 0.00 C ATOM 0 H ILE A 450 2.758 1.955 2.813 1.00 0.00 H new ATOM 0 HA ILE A 450 2.260 -0.481 4.378 1.00 0.00 H new ATOM 0 HB ILE A 450 1.464 -1.665 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.647 0.911 0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 450 2.939 -0.273 0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.646 -0.477 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.227 -0.436 3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 450 0.037 1.003 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.490 -0.574 -1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.392 -1.989 -0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.080 -0.786 -0.037 1.00 0.00 H new ATOM 534 N MET A 451 4.114 -1.717 2.818 1.00 0.00 N ATOM 535 CA MET A 451 5.420 -2.215 2.401 1.00 0.00 C ATOM 536 C MET A 451 5.285 -3.176 1.224 1.00 0.00 C ATOM 537 O MET A 451 4.670 -4.238 1.327 1.00 0.00 O ATOM 538 CB MET A 451 6.120 -2.914 3.568 1.00 0.00 C ATOM 539 CG MET A 451 6.981 -1.982 4.406 1.00 0.00 C ATOM 540 SD MET A 451 8.335 -2.842 5.230 1.00 0.00 S ATOM 541 CE MET A 451 9.741 -2.217 4.313 1.00 0.00 C ATOM 0 H MET A 451 3.417 -2.444 2.979 1.00 0.00 H new ATOM 0 HA MET A 451 6.022 -1.363 2.084 1.00 0.00 H new ATOM 0 HB2 MET A 451 5.368 -3.375 4.209 1.00 0.00 H new ATOM 0 HB3 MET A 451 6.743 -3.719 3.178 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.388 -1.198 3.768 1.00 0.00 H new ATOM 0 HG3 MET A 451 6.358 -1.492 5.154 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.528 -2.971 4.295 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.436 -1.987 3.292 1.00 0.00 H new ATOM 0 HE3 MET A 451 10.115 -1.313 4.793 1.00 0.00 H new ATOM 551 N PRO A 452 5.871 -2.797 0.079 1.00 0.00 N ATOM 552 CA PRO A 452 5.830 -3.612 -1.139 1.00 0.00 C ATOM 553 C PRO A 452 6.666 -4.881 -1.016 1.00 0.00 C ATOM 554 O PRO A 452 7.510 -4.997 -0.127 1.00 0.00 O ATOM 555 CB PRO A 452 6.417 -2.686 -2.206 1.00 0.00 C ATOM 556 CG PRO A 452 7.285 -1.739 -1.450 1.00 0.00 C ATOM 557 CD PRO A 452 6.620 -1.544 -0.115 1.00 0.00 C ATOM 0 HA PRO A 452 4.821 -3.958 -1.364 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.991 -3.246 -2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.632 -2.158 -2.747 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.291 -2.142 -1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.383 -0.791 -1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.350 -1.385 0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.959 -0.677 -0.118 1.00 0.00 H new ATOM 565 N LYS A 453 6.427 -5.831 -1.914 1.00 0.00 N ATOM 566 CA LYS A 453 7.160 -7.092 -1.908 1.00 0.00 C ATOM 567 C LYS A 453 8.091 -7.186 -3.112 1.00 0.00 C ATOM 568 O LYS A 453 7.676 -7.591 -4.199 1.00 0.00 O ATOM 569 CB LYS A 453 6.185 -8.272 -1.909 1.00 0.00 C ATOM 570 CG LYS A 453 5.330 -8.355 -0.657 1.00 0.00 C ATOM 571 CD LYS A 453 6.128 -8.865 0.531 1.00 0.00 C ATOM 572 CE LYS A 453 6.116 -10.385 0.600 1.00 0.00 C ATOM 573 NZ LYS A 453 7.306 -10.917 1.321 1.00 0.00 N ATOM 0 H LYS A 453 5.731 -5.752 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 453 7.764 -7.129 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.533 -8.193 -2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 453 6.749 -9.199 -2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 453 4.923 -7.370 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.482 -9.016 -0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 453 7.156 -8.511 0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 453 5.714 -8.455 1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 453 5.208 -10.719 1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 453 6.090 -10.794 -0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 7.261 -11.956 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 8.172 -10.620 0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 7.317 -10.547 2.293 1.00 0.00 H new ATOM 587 N HIS A 454 9.350 -6.812 -2.912 1.00 0.00 N ATOM 588 CA HIS A 454 10.340 -6.857 -3.982 1.00 0.00 C ATOM 589 C HIS A 454 11.712 -7.245 -3.438 1.00 0.00 C ATOM 590 O HIS A 454 11.902 -7.348 -2.226 1.00 0.00 O ATOM 591 CB HIS A 454 10.423 -5.502 -4.687 1.00 0.00 C ATOM 592 CG HIS A 454 10.793 -5.602 -6.135 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.078 -5.414 -6.597 1.00 0.00 N ATOM 594 CD2 HIS A 454 10.038 -5.873 -7.225 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.097 -5.563 -7.910 1.00 0.00 C ATOM 596 NE2 HIS A 454 10.871 -5.843 -8.315 1.00 0.00 N ATOM 0 H HIS A 454 9.709 -6.474 -2.019 1.00 0.00 H new ATOM 0 HA HIS A 454 10.026 -7.614 -4.701 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.461 -4.997 -4.600 1.00 0.00 H new ATOM 0 HB3 HIS A 454 11.157 -4.880 -4.175 1.00 0.00 H new ATOM 0 HD2 HIS A 454 8.977 -6.075 -7.235 1.00 0.00 H new ATOM 0 HE1 HIS A 454 12.967 -5.471 -8.544 1.00 0.00 H new ATOM 0 HE2 HIS A 454 10.589 -6.010 -9.281 1.00 0.00 H new ATOM 604 N GLU A 455 12.663 -7.458 -4.341 1.00 0.00 N ATOM 605 CA GLU A 455 14.016 -7.836 -3.950 1.00 0.00 C ATOM 606 C GLU A 455 14.929 -6.614 -3.899 1.00 0.00 C ATOM 607 O GLU A 455 15.937 -6.608 -3.191 1.00 0.00 O ATOM 608 CB GLU A 455 14.583 -8.869 -4.926 1.00 0.00 C ATOM 609 CG GLU A 455 15.967 -9.369 -4.547 1.00 0.00 C ATOM 610 CD GLU A 455 15.941 -10.318 -3.364 1.00 0.00 C ATOM 611 OE1 GLU A 455 15.677 -11.520 -3.572 1.00 0.00 O ATOM 612 OE2 GLU A 455 16.184 -9.856 -2.229 1.00 0.00 O ATOM 0 H GLU A 455 12.522 -7.375 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 455 13.969 -8.275 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 455 13.901 -9.718 -4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 455 14.625 -8.430 -5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 455 16.414 -9.874 -5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 455 16.605 -8.517 -4.311 1.00 0.00 H new ATOM 619 N ASP A 456 14.569 -5.582 -4.654 1.00 0.00 N ATOM 620 CA ASP A 456 15.354 -4.354 -4.695 1.00 0.00 C ATOM 621 C ASP A 456 14.916 -3.392 -3.596 1.00 0.00 C ATOM 622 O ASP A 456 15.748 -2.799 -2.907 1.00 0.00 O ATOM 623 CB ASP A 456 15.218 -3.682 -6.062 1.00 0.00 C ATOM 624 CG ASP A 456 15.854 -4.494 -7.173 1.00 0.00 C ATOM 625 OD1 ASP A 456 16.150 -5.685 -6.942 1.00 0.00 O ATOM 626 OD2 ASP A 456 16.057 -3.939 -8.273 1.00 0.00 O ATOM 0 H ASP A 456 13.738 -5.571 -5.246 1.00 0.00 H new ATOM 0 HA ASP A 456 16.399 -4.615 -4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 456 14.162 -3.531 -6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 456 15.681 -2.696 -6.026 1.00 0.00 H new ATOM 631 N LEU A 457 13.606 -3.240 -3.437 1.00 0.00 N ATOM 632 CA LEU A 457 13.057 -2.349 -2.421 1.00 0.00 C ATOM 633 C LEU A 457 13.475 -2.793 -1.023 1.00 0.00 C ATOM 634 O LEU A 457 13.474 -3.984 -0.712 1.00 0.00 O ATOM 635 CB LEU A 457 11.531 -2.309 -2.521 1.00 0.00 C ATOM 636 CG LEU A 457 10.950 -1.336 -3.548 1.00 0.00 C ATOM 637 CD1 LEU A 457 9.508 -1.696 -3.870 1.00 0.00 C ATOM 638 CD2 LEU A 457 11.043 0.095 -3.038 1.00 0.00 C ATOM 0 H LEU A 457 12.904 -3.722 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 457 13.453 -1.349 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 457 11.176 -3.312 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 457 11.129 -2.053 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 457 11.535 -1.414 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 457 9.112 -0.992 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 457 9.468 -2.706 -4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 457 8.909 -1.648 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 457 10.625 0.774 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 457 10.483 0.187 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 457 12.088 0.351 -2.860 1.00 0.00 H new ATOM 650 N LYS A 458 13.830 -1.827 -0.183 1.00 0.00 N ATOM 651 CA LYS A 458 14.247 -2.116 1.184 1.00 0.00 C ATOM 652 C LYS A 458 13.354 -1.396 2.189 1.00 0.00 C ATOM 653 O LYS A 458 12.743 -2.026 3.053 1.00 0.00 O ATOM 654 CB LYS A 458 15.705 -1.701 1.393 1.00 0.00 C ATOM 655 CG LYS A 458 16.703 -2.798 1.063 1.00 0.00 C ATOM 656 CD LYS A 458 17.983 -2.648 1.869 1.00 0.00 C ATOM 657 CE LYS A 458 17.886 -3.363 3.207 1.00 0.00 C ATOM 658 NZ LYS A 458 19.220 -3.522 3.849 1.00 0.00 N ATOM 0 H LYS A 458 13.837 -0.836 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 458 14.154 -3.190 1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 458 15.918 -0.829 0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 458 15.842 -1.397 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 458 16.256 -3.771 1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 458 16.937 -2.771 -0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 458 18.821 -3.050 1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 458 18.188 -1.590 2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 458 17.228 -2.803 3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 458 17.433 -4.344 3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 19.111 -4.014 4.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 19.841 -4.078 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 19.641 -2.585 4.010 1.00 0.00 H new ATOM 672 N ASP A 459 13.281 -0.075 2.070 1.00 0.00 N ATOM 673 CA ASP A 459 12.460 0.730 2.967 1.00 0.00 C ATOM 674 C ASP A 459 10.982 0.605 2.610 1.00 0.00 C ATOM 675 O ASP A 459 10.632 0.096 1.546 1.00 0.00 O ATOM 676 CB ASP A 459 12.890 2.196 2.908 1.00 0.00 C ATOM 677 CG ASP A 459 14.262 2.422 3.512 1.00 0.00 C ATOM 678 OD1 ASP A 459 15.117 1.520 3.397 1.00 0.00 O ATOM 679 OD2 ASP A 459 14.481 3.502 4.101 1.00 0.00 O ATOM 0 H ASP A 459 13.781 0.461 1.361 1.00 0.00 H new ATOM 0 HA ASP A 459 12.602 0.359 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 459 12.894 2.529 1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 459 12.159 2.808 3.436 1.00 0.00 H new ATOM 684 N MET A 460 10.121 1.072 3.507 1.00 0.00 N ATOM 685 CA MET A 460 8.680 1.013 3.286 1.00 0.00 C ATOM 686 C MET A 460 8.204 2.218 2.481 1.00 0.00 C ATOM 687 O MET A 460 8.989 3.108 2.153 1.00 0.00 O ATOM 688 CB MET A 460 7.939 0.952 4.623 1.00 0.00 C ATOM 689 CG MET A 460 7.895 2.283 5.354 1.00 0.00 C ATOM 690 SD MET A 460 6.731 2.281 6.731 1.00 0.00 S ATOM 691 CE MET A 460 7.254 3.746 7.619 1.00 0.00 C ATOM 0 H MET A 460 10.395 1.495 4.394 1.00 0.00 H new ATOM 0 HA MET A 460 8.461 0.109 2.717 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.919 0.609 4.449 1.00 0.00 H new ATOM 0 HB3 MET A 460 8.420 0.211 5.262 1.00 0.00 H new ATOM 0 HG2 MET A 460 8.891 2.522 5.726 1.00 0.00 H new ATOM 0 HG3 MET A 460 7.620 3.070 4.652 1.00 0.00 H new ATOM 0 HE1 MET A 460 6.627 3.880 8.500 1.00 0.00 H new ATOM 0 HE2 MET A 460 8.293 3.633 7.927 1.00 0.00 H new ATOM 0 HE3 MET A 460 7.160 4.617 6.971 1.00 0.00 H new ATOM 701 N LEU A 461 6.913 2.241 2.168 1.00 0.00 N ATOM 702 CA LEU A 461 6.332 3.338 1.401 1.00 0.00 C ATOM 703 C LEU A 461 4.879 3.573 1.804 1.00 0.00 C ATOM 704 O LEU A 461 4.304 2.798 2.566 1.00 0.00 O ATOM 705 CB LEU A 461 6.416 3.040 -0.097 1.00 0.00 C ATOM 706 CG LEU A 461 7.804 2.692 -0.635 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.222 1.304 -0.176 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.825 2.782 -2.154 1.00 0.00 C ATOM 0 H LEU A 461 6.249 1.513 2.433 1.00 0.00 H new ATOM 0 HA LEU A 461 6.901 4.242 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.743 2.212 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 461 6.044 3.908 -0.641 1.00 0.00 H new ATOM 0 HG LEU A 461 8.518 3.414 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.212 1.074 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.247 1.273 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.506 0.568 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.821 2.531 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 461 7.099 2.083 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.570 3.796 -2.462 1.00 0.00 H new ATOM 720 N GLU A 462 4.293 4.647 1.283 1.00 0.00 N ATOM 721 CA GLU A 462 2.907 4.983 1.588 1.00 0.00 C ATOM 722 C GLU A 462 2.209 5.572 0.366 1.00 0.00 C ATOM 723 O GLU A 462 2.585 6.636 -0.126 1.00 0.00 O ATOM 724 CB GLU A 462 2.843 5.973 2.753 1.00 0.00 C ATOM 725 CG GLU A 462 3.390 7.349 2.412 1.00 0.00 C ATOM 726 CD GLU A 462 2.326 8.280 1.863 1.00 0.00 C ATOM 727 OE1 GLU A 462 1.127 8.008 2.088 1.00 0.00 O ATOM 728 OE2 GLU A 462 2.690 9.279 1.209 1.00 0.00 O ATOM 0 H GLU A 462 4.756 5.298 0.649 1.00 0.00 H new ATOM 0 HA GLU A 462 2.392 4.066 1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 462 1.807 6.073 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 462 3.403 5.567 3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 462 3.830 7.793 3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 462 4.191 7.246 1.680 1.00 0.00 H new ATOM 735 N PHE A 463 1.189 4.872 -0.120 1.00 0.00 N ATOM 736 CA PHE A 463 0.438 5.324 -1.286 1.00 0.00 C ATOM 737 C PHE A 463 -1.004 5.650 -0.910 1.00 0.00 C ATOM 738 O PHE A 463 -1.556 5.122 0.055 1.00 0.00 O ATOM 739 CB PHE A 463 0.463 4.255 -2.380 1.00 0.00 C ATOM 740 CG PHE A 463 1.732 3.452 -2.406 1.00 0.00 C ATOM 741 CD1 PHE A 463 2.814 3.866 -3.165 1.00 0.00 C ATOM 742 CD2 PHE A 463 1.841 2.282 -1.671 1.00 0.00 C ATOM 743 CE1 PHE A 463 3.984 3.129 -3.190 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.008 1.542 -1.692 1.00 0.00 C ATOM 745 CZ PHE A 463 4.080 1.965 -2.453 1.00 0.00 C ATOM 0 H PHE A 463 0.864 3.990 0.275 1.00 0.00 H new ATOM 0 HA PHE A 463 0.910 6.231 -1.663 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.381 3.581 -2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.327 4.735 -3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.743 4.775 -3.744 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.005 1.945 -1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 463 4.821 3.463 -3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.082 0.633 -1.113 1.00 0.00 H new ATOM 0 HZ PHE A 463 4.992 1.387 -2.472 1.00 0.00 H new ATOM 755 N PRO A 464 -1.631 6.543 -1.692 1.00 0.00 N ATOM 756 CA PRO A 464 -3.017 6.961 -1.462 1.00 0.00 C ATOM 757 C PRO A 464 -4.016 5.849 -1.764 1.00 0.00 C ATOM 758 O PRO A 464 -3.743 4.959 -2.569 1.00 0.00 O ATOM 759 CB PRO A 464 -3.203 8.126 -2.437 1.00 0.00 C ATOM 760 CG PRO A 464 -2.212 7.874 -3.521 1.00 0.00 C ATOM 761 CD PRO A 464 -1.035 7.212 -2.860 1.00 0.00 C ATOM 0 HA PRO A 464 -3.194 7.227 -0.420 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.220 8.156 -2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -3.021 9.084 -1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.635 7.235 -4.296 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -1.916 8.806 -4.003 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.548 6.500 -3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.279 7.939 -2.564 1.00 0.00 H new ATOM 769 N ALA A 465 -5.173 5.906 -1.113 1.00 0.00 N ATOM 770 CA ALA A 465 -6.213 4.904 -1.314 1.00 0.00 C ATOM 771 C ALA A 465 -6.583 4.786 -2.788 1.00 0.00 C ATOM 772 O ALA A 465 -7.099 3.759 -3.227 1.00 0.00 O ATOM 773 CB ALA A 465 -7.442 5.246 -0.484 1.00 0.00 C ATOM 0 H ALA A 465 -5.414 6.635 -0.442 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.824 3.940 -0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -8.211 4.490 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -7.172 5.272 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.824 6.221 -0.785 1.00 0.00 H new ATOM 779 N GLN A 466 -6.317 5.845 -3.547 1.00 0.00 N ATOM 780 CA GLN A 466 -6.625 5.859 -4.972 1.00 0.00 C ATOM 781 C GLN A 466 -5.618 5.022 -5.755 1.00 0.00 C ATOM 782 O GLN A 466 -5.994 4.230 -6.618 1.00 0.00 O ATOM 783 CB GLN A 466 -6.631 7.295 -5.500 1.00 0.00 C ATOM 784 CG GLN A 466 -6.652 7.385 -7.017 1.00 0.00 C ATOM 785 CD GLN A 466 -7.320 8.651 -7.517 1.00 0.00 C ATOM 786 OE1 GLN A 466 -7.377 9.657 -6.810 1.00 0.00 O ATOM 787 NE2 GLN A 466 -7.829 8.607 -8.743 1.00 0.00 N ATOM 0 H GLN A 466 -5.889 6.703 -3.199 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.615 5.425 -5.108 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -7.501 7.816 -5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -5.749 7.815 -5.126 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -5.630 7.345 -7.394 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -7.175 6.519 -7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -7.759 7.751 -9.294 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -8.290 9.429 -9.134 1.00 0.00 H new ATOM 796 N GLU A 467 -4.338 5.203 -5.446 1.00 0.00 N ATOM 797 CA GLU A 467 -3.278 4.465 -6.122 1.00 0.00 C ATOM 798 C GLU A 467 -3.323 2.985 -5.751 1.00 0.00 C ATOM 799 O GLU A 467 -2.988 2.120 -6.561 1.00 0.00 O ATOM 800 CB GLU A 467 -1.910 5.049 -5.764 1.00 0.00 C ATOM 801 CG GLU A 467 -1.503 6.225 -6.636 1.00 0.00 C ATOM 802 CD GLU A 467 -0.011 6.493 -6.597 1.00 0.00 C ATOM 803 OE1 GLU A 467 0.716 5.699 -5.964 1.00 0.00 O ATOM 804 OE2 GLU A 467 0.429 7.495 -7.198 1.00 0.00 O ATOM 0 H GLU A 467 -4.010 5.854 -4.732 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.435 4.558 -7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.922 5.367 -4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -1.156 4.266 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -1.807 6.031 -7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -2.037 7.117 -6.309 1.00 0.00 H new ATOM 811 N LEU A 468 -3.740 2.702 -4.522 1.00 0.00 N ATOM 812 CA LEU A 468 -3.830 1.328 -4.042 1.00 0.00 C ATOM 813 C LEU A 468 -5.253 0.796 -4.176 1.00 0.00 C ATOM 814 O LEU A 468 -6.218 1.488 -3.851 1.00 0.00 O ATOM 815 CB LEU A 468 -3.378 1.246 -2.583 1.00 0.00 C ATOM 816 CG LEU A 468 -1.867 1.204 -2.349 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.549 1.412 -0.877 1.00 0.00 C ATOM 818 CD2 LEU A 468 -1.288 -0.114 -2.841 1.00 0.00 C ATOM 0 H LEU A 468 -4.021 3.406 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.172 0.712 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -3.784 2.105 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.819 0.355 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.408 2.014 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.469 1.379 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -1.929 2.382 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -2.020 0.625 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -0.212 -0.126 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.753 -0.939 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.484 -0.222 -3.908 1.00 0.00 H new ATOM 830 N ARG A 469 -5.376 -0.438 -4.654 1.00 0.00 N ATOM 831 CA ARG A 469 -6.681 -1.063 -4.830 1.00 0.00 C ATOM 832 C ARG A 469 -6.606 -2.564 -4.562 1.00 0.00 C ATOM 833 O ARG A 469 -5.527 -3.157 -4.589 1.00 0.00 O ATOM 834 CB ARG A 469 -7.204 -0.813 -6.246 1.00 0.00 C ATOM 835 CG ARG A 469 -7.535 0.644 -6.524 1.00 0.00 C ATOM 836 CD ARG A 469 -8.137 0.825 -7.909 1.00 0.00 C ATOM 837 NE ARG A 469 -9.535 0.405 -7.957 1.00 0.00 N ATOM 838 CZ ARG A 469 -10.364 0.724 -8.945 1.00 0.00 C ATOM 839 NH1 ARG A 469 -9.937 1.461 -9.961 1.00 0.00 N ATOM 840 NH2 ARG A 469 -11.622 0.304 -8.918 1.00 0.00 N ATOM 0 H ARG A 469 -4.587 -1.025 -4.926 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.369 -0.617 -4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -6.458 -1.151 -6.965 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -8.097 -1.417 -6.406 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -8.234 1.009 -5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -6.631 1.246 -6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -8.063 1.872 -8.203 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -7.560 0.249 -8.633 1.00 0.00 H new ATOM 0 HE ARG A 469 -9.894 -0.164 -7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -8.970 1.784 -9.985 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -10.576 1.704 -10.718 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -11.953 -0.264 -8.138 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -12.258 0.549 -9.677 1.00 0.00 H new