USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=6 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= -0.978! C(o=-0.98!,f=-4.8!) USER MOD Single : A 429 CYS SG : rot 180:sc= 0 USER MOD Single : A 435 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.011) USER MOD Single : A 437 GLN : amide:sc= -0.904 X(o=-0.9,f=-1.3) USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 SER OG : rot -130:sc= -0.867 USER MOD Single : A 446 ASN : amide:sc= -0.392 K(o=-0.39,f=-7.9!) USER MOD Single : A 447 LYS NZ :NH3+ 138:sc= 0.539 (180deg=0.0227) USER MOD Single : A 449 THR OG1 : rot 180:sc= 0 USER MOD Single : A 451 MET CE :methyl 151:sc= -0.528 (180deg=-0.903) USER MOD Single : A 453 LYS NZ :NH3+ 163:sc= -0.0144 (180deg=-0.177) USER MOD Single : A 454 HIS : no HD1:sc= -0.75 K(o=-0.75,f=-5.2!) 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= -0.0398 K(o=-0.04,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 420 -10.123 2.379 5.677 1.00 0.00 N ATOM 67 CA PHE A 420 -9.418 1.150 5.332 1.00 0.00 C ATOM 68 C PHE A 420 -8.580 0.656 6.508 1.00 0.00 C ATOM 69 O PHE A 420 -8.122 1.447 7.332 1.00 0.00 O ATOM 70 CB PHE A 420 -8.522 1.377 4.113 1.00 0.00 C ATOM 71 CG PHE A 420 -9.286 1.535 2.829 1.00 0.00 C ATOM 72 CD1 PHE A 420 -10.110 2.630 2.629 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.178 0.589 1.823 1.00 0.00 C ATOM 74 CE1 PHE A 420 -10.815 2.778 1.449 1.00 0.00 C ATOM 75 CE2 PHE A 420 -9.880 0.732 0.640 1.00 0.00 C ATOM 76 CZ PHE A 420 -10.698 1.828 0.453 1.00 0.00 C ATOM 0 HA PHE A 420 -10.161 0.389 5.092 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -7.916 2.268 4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -7.834 0.537 4.016 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -10.203 3.377 3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -8.538 -0.270 1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -11.456 3.635 1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -9.788 -0.013 -0.137 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.246 1.943 -0.471 1.00 0.00 H new ATOM 86 N GLN A 421 -8.385 -0.657 6.577 1.00 0.00 N ATOM 87 CA GLN A 421 -7.604 -1.257 7.653 1.00 0.00 C ATOM 88 C GLN A 421 -6.406 -2.019 7.095 1.00 0.00 C ATOM 89 O GLN A 421 -6.482 -2.664 6.049 1.00 0.00 O ATOM 90 CB GLN A 421 -8.479 -2.197 8.484 1.00 0.00 C ATOM 91 CG GLN A 421 -9.255 -1.492 9.584 1.00 0.00 C ATOM 92 CD GLN A 421 -10.142 -2.437 10.371 1.00 0.00 C ATOM 93 OE1 GLN A 421 -11.310 -2.636 10.034 1.00 0.00 O ATOM 94 NE2 GLN A 421 -9.592 -3.025 11.426 1.00 0.00 N ATOM 0 H GLN A 421 -8.756 -1.325 5.902 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.236 -0.455 8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -9.182 -2.705 7.823 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -7.849 -2.966 8.931 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -8.555 -1.007 10.264 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -9.869 -0.706 9.144 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -8.621 -2.831 11.669 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -10.141 -3.671 11.994 1.00 0.00 H new ATOM 103 N PRO A 422 -5.273 -1.943 7.809 1.00 0.00 N ATOM 104 CA PRO A 422 -4.037 -2.620 7.404 1.00 0.00 C ATOM 105 C PRO A 422 -4.135 -4.136 7.537 1.00 0.00 C ATOM 106 O PRO A 422 -4.967 -4.650 8.284 1.00 0.00 O ATOM 107 CB PRO A 422 -2.994 -2.064 8.377 1.00 0.00 C ATOM 108 CG PRO A 422 -3.776 -1.656 9.578 1.00 0.00 C ATOM 109 CD PRO A 422 -5.111 -1.193 9.065 1.00 0.00 C ATOM 0 HA PRO A 422 -3.800 -2.442 6.355 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -2.246 -2.816 8.628 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.461 -1.217 7.945 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.892 -2.490 10.270 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.269 -0.859 10.122 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.911 -1.414 9.771 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.125 -0.116 8.895 1.00 0.00 H new ATOM 117 N GLY A 423 -3.280 -4.846 6.808 1.00 0.00 N ATOM 118 CA GLY A 423 -3.287 -6.296 6.860 1.00 0.00 C ATOM 119 C GLY A 423 -3.771 -6.920 5.565 1.00 0.00 C ATOM 120 O GLY A 423 -3.455 -8.072 5.268 1.00 0.00 O ATOM 0 H GLY A 423 -2.583 -4.443 6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -2.281 -6.654 7.078 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.927 -6.624 7.679 1.00 0.00 H new ATOM 124 N ASP A 424 -4.539 -6.158 4.795 1.00 0.00 N ATOM 125 CA ASP A 424 -5.069 -6.643 3.525 1.00 0.00 C ATOM 126 C ASP A 424 -4.022 -6.530 2.422 1.00 0.00 C ATOM 127 O ASP A 424 -3.078 -5.748 2.525 1.00 0.00 O ATOM 128 CB ASP A 424 -6.323 -5.858 3.138 1.00 0.00 C ATOM 129 CG ASP A 424 -7.530 -6.249 3.968 1.00 0.00 C ATOM 130 OD1 ASP A 424 -8.045 -7.371 3.774 1.00 0.00 O ATOM 131 OD2 ASP A 424 -7.959 -5.435 4.811 1.00 0.00 O ATOM 0 H ASP A 424 -4.809 -5.202 5.027 1.00 0.00 H new ATOM 0 HA ASP A 424 -5.332 -7.694 3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -6.132 -4.792 3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.542 -6.025 2.083 1.00 0.00 H new ATOM 136 N ASN A 425 -4.195 -7.319 1.366 1.00 0.00 N ATOM 137 CA ASN A 425 -3.264 -7.309 0.243 1.00 0.00 C ATOM 138 C ASN A 425 -3.779 -6.418 -0.883 1.00 0.00 C ATOM 139 O ASN A 425 -4.913 -6.567 -1.338 1.00 0.00 O ATOM 140 CB ASN A 425 -3.044 -8.731 -0.277 1.00 0.00 C ATOM 141 CG ASN A 425 -3.051 -9.761 0.836 1.00 0.00 C ATOM 142 OD1 ASN A 425 -2.960 -9.418 2.015 1.00 0.00 O ATOM 143 ND2 ASN A 425 -3.160 -11.031 0.465 1.00 0.00 N ATOM 0 H ASN A 425 -4.971 -7.973 1.265 1.00 0.00 H new ATOM 0 HA ASN A 425 -2.314 -6.907 0.595 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -3.823 -8.975 -0.999 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -2.092 -8.778 -0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -3.171 -11.769 1.169 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.233 -11.269 -0.524 1.00 0.00 H new ATOM 150 N VAL A 426 -2.938 -5.490 -1.328 1.00 0.00 N ATOM 151 CA VAL A 426 -3.307 -4.575 -2.402 1.00 0.00 C ATOM 152 C VAL A 426 -2.140 -4.350 -3.357 1.00 0.00 C ATOM 153 O VAL A 426 -1.026 -4.813 -3.112 1.00 0.00 O ATOM 154 CB VAL A 426 -3.772 -3.216 -1.847 1.00 0.00 C ATOM 155 CG1 VAL A 426 -5.092 -3.365 -1.107 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.707 -2.619 -0.939 1.00 0.00 C ATOM 0 H VAL A 426 -1.996 -5.352 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.132 -5.039 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.927 -2.535 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -5.405 -2.394 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.851 -3.746 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.968 -4.061 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -3.052 -1.659 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -2.518 -3.296 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.786 -2.474 -1.504 1.00 0.00 H new ATOM 166 N GLU A 427 -2.403 -3.633 -4.445 1.00 0.00 N ATOM 167 CA GLU A 427 -1.373 -3.346 -5.437 1.00 0.00 C ATOM 168 C GLU A 427 -1.635 -2.008 -6.122 1.00 0.00 C ATOM 169 O GLU A 427 -2.762 -1.513 -6.132 1.00 0.00 O ATOM 170 CB GLU A 427 -1.315 -4.463 -6.482 1.00 0.00 C ATOM 171 CG GLU A 427 -0.612 -4.058 -7.767 1.00 0.00 C ATOM 172 CD GLU A 427 -0.774 -5.086 -8.870 1.00 0.00 C ATOM 173 OE1 GLU A 427 -0.644 -6.293 -8.579 1.00 0.00 O ATOM 174 OE2 GLU A 427 -1.032 -4.683 -10.023 1.00 0.00 O ATOM 0 H GLU A 427 -3.319 -3.241 -4.662 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.414 -3.289 -4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -0.802 -5.324 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.330 -4.781 -6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -1.007 -3.101 -8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.449 -3.911 -7.565 1.00 0.00 H new ATOM 181 N VAL A 428 -0.585 -1.426 -6.692 1.00 0.00 N ATOM 182 CA VAL A 428 -0.700 -0.145 -7.379 1.00 0.00 C ATOM 183 C VAL A 428 -1.357 -0.311 -8.745 1.00 0.00 C ATOM 184 O VAL A 428 -0.854 -1.038 -9.603 1.00 0.00 O ATOM 185 CB VAL A 428 0.677 0.519 -7.562 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.532 1.872 -8.243 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.382 0.661 -6.221 1.00 0.00 C ATOM 0 H VAL A 428 0.355 -1.821 -6.692 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.324 0.494 -6.754 1.00 0.00 H new ATOM 0 HB VAL A 428 1.286 -0.119 -8.202 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.516 2.326 -8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 428 0.071 1.739 -9.222 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.095 2.522 -7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.354 1.132 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.777 1.277 -5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.521 -0.325 -5.777 1.00 0.00 H new ATOM 197 N CYS A 429 -2.482 0.367 -8.940 1.00 0.00 N ATOM 198 CA CYS A 429 -3.209 0.295 -10.203 1.00 0.00 C ATOM 199 C CYS A 429 -2.570 1.199 -11.251 1.00 0.00 C ATOM 200 O CYS A 429 -2.379 0.797 -12.398 1.00 0.00 O ATOM 201 CB CYS A 429 -4.672 0.689 -9.996 1.00 0.00 C ATOM 202 SG CYS A 429 -5.696 0.532 -11.478 1.00 0.00 S ATOM 0 H CYS A 429 -2.911 0.973 -8.240 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.164 -0.733 -10.561 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -5.096 0.068 -9.207 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -4.713 1.721 -9.647 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.916 0.886 -11.202 1.00 0.00 H new ATOM 208 N GLU A 430 -2.243 2.424 -10.849 1.00 0.00 N ATOM 209 CA GLU A 430 -1.627 3.386 -11.755 1.00 0.00 C ATOM 210 C GLU A 430 -0.506 4.150 -11.057 1.00 0.00 C ATOM 211 O GLU A 430 -0.373 4.101 -9.835 1.00 0.00 O ATOM 212 CB GLU A 430 -2.676 4.366 -12.283 1.00 0.00 C ATOM 213 CG GLU A 430 -2.225 5.135 -13.514 1.00 0.00 C ATOM 214 CD GLU A 430 -3.385 5.563 -14.391 1.00 0.00 C ATOM 215 OE1 GLU A 430 -4.404 6.031 -13.842 1.00 0.00 O ATOM 216 OE2 GLU A 430 -3.274 5.430 -15.628 1.00 0.00 O ATOM 0 H GLU A 430 -2.395 2.773 -9.903 1.00 0.00 H new ATOM 0 HA GLU A 430 -1.200 2.836 -12.593 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -3.587 3.817 -12.521 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.928 5.075 -11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -1.665 6.017 -13.202 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -1.544 4.514 -14.096 1.00 0.00 H new ATOM 223 N GLY A 431 0.300 4.857 -11.844 1.00 0.00 N ATOM 224 CA GLY A 431 1.399 5.622 -11.285 1.00 0.00 C ATOM 225 C GLY A 431 2.753 5.077 -11.697 1.00 0.00 C ATOM 226 O GLY A 431 2.839 4.023 -12.327 1.00 0.00 O ATOM 0 H GLY A 431 0.211 4.913 -12.859 1.00 0.00 H new ATOM 0 HA2 GLY A 431 1.316 6.660 -11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 431 1.325 5.618 -10.198 1.00 0.00 H new ATOM 230 N GLU A 432 3.812 5.798 -11.343 1.00 0.00 N ATOM 231 CA GLU A 432 5.167 5.381 -11.682 1.00 0.00 C ATOM 232 C GLU A 432 5.530 4.080 -10.972 1.00 0.00 C ATOM 233 O GLU A 432 6.328 3.286 -11.474 1.00 0.00 O ATOM 234 CB GLU A 432 6.170 6.475 -11.310 1.00 0.00 C ATOM 235 CG GLU A 432 7.618 6.018 -11.367 1.00 0.00 C ATOM 236 CD GLU A 432 8.175 6.021 -12.778 1.00 0.00 C ATOM 237 OE1 GLU A 432 8.507 7.113 -13.283 1.00 0.00 O ATOM 238 OE2 GLU A 432 8.278 4.929 -13.376 1.00 0.00 O ATOM 0 H GLU A 432 3.758 6.673 -10.822 1.00 0.00 H new ATOM 0 HA GLU A 432 5.208 5.211 -12.758 1.00 0.00 H new ATOM 0 HB2 GLU A 432 6.038 7.321 -11.984 1.00 0.00 H new ATOM 0 HB3 GLU A 432 5.950 6.831 -10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 432 8.226 6.669 -10.739 1.00 0.00 H new ATOM 0 HG3 GLU A 432 7.695 5.013 -10.952 1.00 0.00 H new ATOM 245 N LEU A 433 4.940 3.868 -9.801 1.00 0.00 N ATOM 246 CA LEU A 433 5.201 2.663 -9.020 1.00 0.00 C ATOM 247 C LEU A 433 4.165 1.585 -9.319 1.00 0.00 C ATOM 248 O LEU A 433 3.907 0.711 -8.491 1.00 0.00 O ATOM 249 CB LEU A 433 5.197 2.990 -7.526 1.00 0.00 C ATOM 250 CG LEU A 433 6.432 3.718 -6.994 1.00 0.00 C ATOM 251 CD1 LEU A 433 6.133 4.366 -5.651 1.00 0.00 C ATOM 252 CD2 LEU A 433 7.607 2.758 -6.875 1.00 0.00 C ATOM 0 H LEU A 433 4.278 4.514 -9.371 1.00 0.00 H new ATOM 0 HA LEU A 433 6.184 2.284 -9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 433 4.320 3.600 -7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 433 5.082 2.059 -6.971 1.00 0.00 H new ATOM 0 HG LEU A 433 6.700 4.503 -7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 433 7.024 4.879 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 433 5.322 5.085 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 433 5.839 3.599 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 433 8.477 3.293 -6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 433 7.349 1.951 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.837 2.341 -7.856 1.00 0.00 H new ATOM 264 N ILE A 434 3.576 1.652 -10.509 1.00 0.00 N ATOM 265 CA ILE A 434 2.570 0.679 -10.918 1.00 0.00 C ATOM 266 C ILE A 434 3.115 -0.742 -10.836 1.00 0.00 C ATOM 267 O ILE A 434 4.326 -0.953 -10.797 1.00 0.00 O ATOM 268 CB ILE A 434 2.080 0.947 -12.354 1.00 0.00 C ATOM 269 CG1 ILE A 434 1.068 -0.120 -12.778 1.00 0.00 C ATOM 270 CG2 ILE A 434 3.257 0.981 -13.317 1.00 0.00 C ATOM 271 CD1 ILE A 434 0.341 0.214 -14.061 1.00 0.00 C ATOM 0 H ILE A 434 3.778 2.369 -11.206 1.00 0.00 H new ATOM 0 HA ILE A 434 1.731 0.784 -10.230 1.00 0.00 H new ATOM 0 HB ILE A 434 1.587 1.919 -12.379 1.00 0.00 H new ATOM 0 HG12 ILE A 434 1.585 -1.072 -12.900 1.00 0.00 H new ATOM 0 HG13 ILE A 434 0.338 -0.254 -11.980 1.00 0.00 H new ATOM 0 HG21 ILE A 434 2.895 1.171 -14.327 1.00 0.00 H new ATOM 0 HG22 ILE A 434 3.945 1.774 -13.023 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.776 0.023 -13.292 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -0.360 -0.586 -14.301 1.00 0.00 H new ATOM 0 HD12 ILE A 434 -0.204 1.150 -13.937 1.00 0.00 H new ATOM 0 HD13 ILE A 434 1.062 0.319 -14.871 1.00 0.00 H new ATOM 283 N ASN A 435 2.210 -1.716 -10.810 1.00 0.00 N ATOM 284 CA ASN A 435 2.600 -3.119 -10.734 1.00 0.00 C ATOM 285 C ASN A 435 3.352 -3.405 -9.437 1.00 0.00 C ATOM 286 O ASN A 435 4.271 -4.224 -9.408 1.00 0.00 O ATOM 287 CB ASN A 435 3.471 -3.495 -11.935 1.00 0.00 C ATOM 288 CG ASN A 435 2.647 -3.905 -13.140 1.00 0.00 C ATOM 289 OD1 ASN A 435 2.066 -4.990 -13.169 1.00 0.00 O ATOM 290 ND2 ASN A 435 2.594 -3.037 -14.143 1.00 0.00 N ATOM 0 H ASN A 435 1.203 -1.559 -10.840 1.00 0.00 H new ATOM 0 HA ASN A 435 1.693 -3.723 -10.749 1.00 0.00 H new ATOM 0 HB2 ASN A 435 4.103 -2.648 -12.202 1.00 0.00 H new ATOM 0 HB3 ASN A 435 4.135 -4.313 -11.657 1.00 0.00 H new ATOM 0 HD21 ASN A 435 2.056 -3.258 -14.981 1.00 0.00 H new ATOM 0 HD22 ASN A 435 3.091 -2.149 -14.076 1.00 0.00 H new ATOM 297 N LEU A 436 2.954 -2.726 -8.367 1.00 0.00 N ATOM 298 CA LEU A 436 3.589 -2.907 -7.066 1.00 0.00 C ATOM 299 C LEU A 436 2.605 -3.489 -6.056 1.00 0.00 C ATOM 300 O LEU A 436 1.677 -2.810 -5.619 1.00 0.00 O ATOM 301 CB LEU A 436 4.135 -1.573 -6.554 1.00 0.00 C ATOM 302 CG LEU A 436 5.014 -1.643 -5.305 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.398 -2.166 -5.655 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.110 -0.277 -4.642 1.00 0.00 C ATOM 0 H LEU A 436 2.195 -2.045 -8.374 1.00 0.00 H new ATOM 0 HA LEU A 436 4.415 -3.609 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.711 -1.108 -7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.292 -0.915 -6.344 1.00 0.00 H new ATOM 0 HG LEU A 436 4.554 -2.335 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 436 7.009 -2.209 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 436 6.312 -3.165 -6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.866 -1.500 -6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 436 5.740 -0.347 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.546 0.437 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.114 0.059 -4.354 1.00 0.00 H new ATOM 316 N GLN A 437 2.817 -4.748 -5.690 1.00 0.00 N ATOM 317 CA GLN A 437 1.949 -5.420 -4.730 1.00 0.00 C ATOM 318 C GLN A 437 2.606 -5.485 -3.355 1.00 0.00 C ATOM 319 O GLN A 437 3.823 -5.353 -3.230 1.00 0.00 O ATOM 320 CB GLN A 437 1.614 -6.832 -5.215 1.00 0.00 C ATOM 321 CG GLN A 437 2.838 -7.695 -5.470 1.00 0.00 C ATOM 322 CD GLN A 437 3.377 -7.543 -6.878 1.00 0.00 C ATOM 323 OE1 GLN A 437 4.496 -7.071 -7.080 1.00 0.00 O ATOM 324 NE2 GLN A 437 2.581 -7.943 -7.863 1.00 0.00 N ATOM 0 H GLN A 437 3.582 -5.324 -6.043 1.00 0.00 H new ATOM 0 HA GLN A 437 1.028 -4.844 -4.646 1.00 0.00 H new ATOM 0 HB2 GLN A 437 0.983 -7.322 -4.473 1.00 0.00 H new ATOM 0 HB3 GLN A 437 1.031 -6.763 -6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 437 3.618 -7.432 -4.756 1.00 0.00 H new ATOM 0 HG3 GLN A 437 2.584 -8.740 -5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 437 1.661 -8.329 -7.651 1.00 0.00 H new ATOM 0 HE22 GLN A 437 2.890 -7.865 -8.832 1.00 0.00 H new ATOM 333 N GLY A 438 1.791 -5.690 -2.324 1.00 0.00 N ATOM 334 CA GLY A 438 2.311 -5.768 -0.971 1.00 0.00 C ATOM 335 C GLY A 438 1.212 -5.792 0.072 1.00 0.00 C ATOM 336 O GLY A 438 0.028 -5.734 -0.261 1.00 0.00 O ATOM 0 H GLY A 438 0.780 -5.803 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 438 2.922 -6.665 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.964 -4.915 -0.786 1.00 0.00 H new ATOM 340 N LYS A 439 1.603 -5.881 1.339 1.00 0.00 N ATOM 341 CA LYS A 439 0.643 -5.913 2.436 1.00 0.00 C ATOM 342 C LYS A 439 0.545 -4.550 3.114 1.00 0.00 C ATOM 343 O LYS A 439 1.526 -3.809 3.181 1.00 0.00 O ATOM 344 CB LYS A 439 1.043 -6.977 3.460 1.00 0.00 C ATOM 345 CG LYS A 439 0.432 -8.341 3.191 1.00 0.00 C ATOM 346 CD LYS A 439 1.320 -9.182 2.288 1.00 0.00 C ATOM 347 CE LYS A 439 1.157 -10.667 2.573 1.00 0.00 C ATOM 348 NZ LYS A 439 0.082 -11.276 1.741 1.00 0.00 N ATOM 0 H LYS A 439 2.579 -5.932 1.631 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.334 -6.164 2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 439 2.129 -7.070 3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 439 0.743 -6.644 4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 439 0.274 -8.862 4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -0.547 -8.217 2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 439 1.074 -8.981 1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 439 2.362 -8.895 2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 439 2.100 -11.179 2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 439 0.925 -10.811 3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 0.002 -12.289 1.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 -0.823 -10.804 1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 0.315 -11.161 0.734 1.00 0.00 H new ATOM 362 N ILE A 440 -0.642 -4.228 3.616 1.00 0.00 N ATOM 363 CA ILE A 440 -0.865 -2.956 4.292 1.00 0.00 C ATOM 364 C ILE A 440 -0.471 -3.038 5.763 1.00 0.00 C ATOM 365 O ILE A 440 -0.797 -4.006 6.451 1.00 0.00 O ATOM 366 CB ILE A 440 -2.337 -2.515 4.190 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.807 -2.564 2.735 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.512 -1.117 4.762 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.312 -2.589 2.586 1.00 0.00 C ATOM 0 H ILE A 440 -1.464 -4.830 3.567 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.238 -2.219 3.791 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.948 -3.204 4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.412 -1.697 2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.388 -3.449 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.558 -0.820 4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -2.212 -1.112 5.810 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.892 -0.415 4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.572 -2.623 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.713 -3.470 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.737 -1.691 3.035 1.00 0.00 H new ATOM 381 N LEU A 441 0.229 -2.015 6.240 1.00 0.00 N ATOM 382 CA LEU A 441 0.666 -1.969 7.631 1.00 0.00 C ATOM 383 C LEU A 441 -0.209 -1.023 8.446 1.00 0.00 C ATOM 384 O LEU A 441 -0.648 -1.359 9.545 1.00 0.00 O ATOM 385 CB LEU A 441 2.129 -1.527 7.712 1.00 0.00 C ATOM 386 CG LEU A 441 3.173 -2.610 7.438 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.522 -1.982 7.124 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.286 -3.555 8.625 1.00 0.00 C ATOM 0 H LEU A 441 0.506 -1.206 5.684 1.00 0.00 H new ATOM 0 HA LEU A 441 0.572 -2.971 8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.282 -0.715 7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.310 -1.119 8.706 1.00 0.00 H new ATOM 0 HG LEU A 441 2.852 -3.186 6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.253 -2.767 6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.431 -1.347 6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 441 4.850 -1.381 7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.034 -4.319 8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.584 -2.993 9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.322 -4.031 8.804 1.00 0.00 H new ATOM 400 N SER A 442 -0.460 0.162 7.898 1.00 0.00 N ATOM 401 CA SER A 442 -1.282 1.159 8.575 1.00 0.00 C ATOM 402 C SER A 442 -1.997 2.050 7.565 1.00 0.00 C ATOM 403 O SER A 442 -1.628 2.098 6.391 1.00 0.00 O ATOM 404 CB SER A 442 -0.420 2.014 9.506 1.00 0.00 C ATOM 405 OG SER A 442 0.304 2.990 8.778 1.00 0.00 O ATOM 0 H SER A 442 -0.106 0.455 6.987 1.00 0.00 H new ATOM 0 HA SER A 442 -2.033 0.634 9.166 1.00 0.00 H new ATOM 0 HB2 SER A 442 -1.054 2.504 10.246 1.00 0.00 H new ATOM 0 HB3 SER A 442 0.274 1.375 10.053 1.00 0.00 H new ATOM 0 HG SER A 442 1.248 2.959 9.039 1.00 0.00 H new ATOM 411 N VAL A 443 -3.024 2.755 8.029 1.00 0.00 N ATOM 412 CA VAL A 443 -3.792 3.646 7.168 1.00 0.00 C ATOM 413 C VAL A 443 -3.890 5.043 7.770 1.00 0.00 C ATOM 414 O VAL A 443 -4.613 5.262 8.742 1.00 0.00 O ATOM 415 CB VAL A 443 -5.213 3.104 6.924 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.011 4.066 6.058 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.154 1.723 6.287 1.00 0.00 C ATOM 0 H VAL A 443 -3.343 2.726 8.997 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.263 3.700 6.217 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.719 3.015 7.885 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.012 3.666 5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.083 5.032 6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.511 4.191 5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.167 1.355 6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -4.630 1.784 5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.623 1.039 6.949 1.00 0.00 H new ATOM 427 N ASP A 444 -3.157 5.985 7.186 1.00 0.00 N ATOM 428 CA ASP A 444 -3.161 7.363 7.664 1.00 0.00 C ATOM 429 C ASP A 444 -4.128 8.217 6.849 1.00 0.00 C ATOM 430 O ASP A 444 -3.741 8.836 5.859 1.00 0.00 O ATOM 431 CB ASP A 444 -1.753 7.954 7.592 1.00 0.00 C ATOM 432 CG ASP A 444 -0.869 7.485 8.730 1.00 0.00 C ATOM 433 OD1 ASP A 444 -0.489 6.295 8.734 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.557 8.306 9.618 1.00 0.00 O ATOM 0 H ASP A 444 -2.553 5.820 6.381 1.00 0.00 H new ATOM 0 HA ASP A 444 -3.492 7.361 8.702 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.295 7.678 6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -1.817 9.042 7.611 1.00 0.00 H new ATOM 439 N GLY A 445 -5.388 8.244 7.274 1.00 0.00 N ATOM 440 CA GLY A 445 -6.390 9.024 6.571 1.00 0.00 C ATOM 441 C GLY A 445 -6.317 8.844 5.068 1.00 0.00 C ATOM 442 O GLY A 445 -6.658 7.784 4.546 1.00 0.00 O ATOM 0 H GLY A 445 -5.732 7.740 8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.381 8.735 6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.261 10.079 6.814 1.00 0.00 H new ATOM 446 N ASN A 446 -5.871 9.884 4.370 1.00 0.00 N ATOM 447 CA ASN A 446 -5.757 9.836 2.917 1.00 0.00 C ATOM 448 C ASN A 446 -4.555 8.997 2.493 1.00 0.00 C ATOM 449 O ASN A 446 -4.617 8.252 1.515 1.00 0.00 O ATOM 450 CB ASN A 446 -5.632 11.250 2.347 1.00 0.00 C ATOM 451 CG ASN A 446 -4.846 12.173 3.258 1.00 0.00 C ATOM 452 OD1 ASN A 446 -3.858 11.766 3.870 1.00 0.00 O ATOM 453 ND2 ASN A 446 -5.283 13.423 3.354 1.00 0.00 N ATOM 0 H ASN A 446 -5.583 10.769 4.787 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.660 9.371 2.522 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -5.145 11.204 1.373 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -6.628 11.664 2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -4.795 14.089 3.953 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -6.106 13.717 2.829 1.00 0.00 H new ATOM 460 N LYS A 447 -3.461 9.123 3.237 1.00 0.00 N ATOM 461 CA LYS A 447 -2.244 8.376 2.941 1.00 0.00 C ATOM 462 C LYS A 447 -2.272 7.004 3.608 1.00 0.00 C ATOM 463 O LYS A 447 -2.767 6.857 4.726 1.00 0.00 O ATOM 464 CB LYS A 447 -1.015 9.158 3.410 1.00 0.00 C ATOM 465 CG LYS A 447 -0.766 10.431 2.620 1.00 0.00 C ATOM 466 CD LYS A 447 -0.181 10.132 1.250 1.00 0.00 C ATOM 467 CE LYS A 447 1.335 10.032 1.301 1.00 0.00 C ATOM 468 NZ LYS A 447 1.911 9.648 -0.018 1.00 0.00 N ATOM 0 H LYS A 447 -3.392 9.736 4.050 1.00 0.00 H new ATOM 0 HA LYS A 447 -2.187 8.235 1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.136 9.412 4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.137 8.517 3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -1.702 10.978 2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -0.085 11.077 3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -0.596 9.197 0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -0.472 10.916 0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 447 1.752 10.989 1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.625 9.297 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 2.762 10.216 -0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 2.163 8.639 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 1.210 9.821 -0.766 1.00 0.00 H new ATOM 482 N ILE A 448 -1.737 6.004 2.916 1.00 0.00 N ATOM 483 CA ILE A 448 -1.698 4.646 3.443 1.00 0.00 C ATOM 484 C ILE A 448 -0.271 4.112 3.484 1.00 0.00 C ATOM 485 O ILE A 448 0.367 3.931 2.445 1.00 0.00 O ATOM 486 CB ILE A 448 -2.568 3.692 2.603 1.00 0.00 C ATOM 487 CG1 ILE A 448 -3.863 4.387 2.179 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.873 2.424 3.388 1.00 0.00 C ATOM 489 CD1 ILE A 448 -4.876 4.511 3.296 1.00 0.00 C ATOM 0 H ILE A 448 -1.325 6.109 1.989 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.095 4.690 4.457 1.00 0.00 H new ATOM 0 HB ILE A 448 -2.016 3.416 1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.625 5.382 1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.310 3.833 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.489 1.760 2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -1.940 1.921 3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.409 2.682 4.302 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.769 5.013 2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -5.143 3.518 3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.447 5.091 4.113 1.00 0.00 H new ATOM 501 N THR A 449 0.227 3.859 4.690 1.00 0.00 N ATOM 502 CA THR A 449 1.579 3.344 4.867 1.00 0.00 C ATOM 503 C THR A 449 1.605 1.823 4.776 1.00 0.00 C ATOM 504 O THR A 449 1.042 1.131 5.625 1.00 0.00 O ATOM 505 CB THR A 449 2.172 3.776 6.222 1.00 0.00 C ATOM 506 OG1 THR A 449 1.939 5.173 6.435 1.00 0.00 O ATOM 507 CG2 THR A 449 3.665 3.492 6.274 1.00 0.00 C ATOM 0 H THR A 449 -0.286 4.003 5.560 1.00 0.00 H new ATOM 0 HA THR A 449 2.184 3.763 4.063 1.00 0.00 H new ATOM 0 HB THR A 449 1.682 3.202 7.008 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.317 5.440 7.299 1.00 0.00 H new ATOM 0 HG21 THR A 449 4.062 3.805 7.240 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.837 2.424 6.140 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.168 4.043 5.479 1.00 0.00 H new ATOM 515 N ILE A 450 2.261 1.308 3.741 1.00 0.00 N ATOM 516 CA ILE A 450 2.361 -0.132 3.541 1.00 0.00 C ATOM 517 C ILE A 450 3.794 -0.544 3.220 1.00 0.00 C ATOM 518 O ILE A 450 4.673 0.302 3.060 1.00 0.00 O ATOM 519 CB ILE A 450 1.435 -0.609 2.406 1.00 0.00 C ATOM 520 CG1 ILE A 450 1.949 -0.107 1.055 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.011 -0.131 2.649 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.380 -0.863 -0.125 1.00 0.00 C ATOM 0 H ILE A 450 2.731 1.867 3.029 1.00 0.00 H new ATOM 0 HA ILE A 450 2.050 -0.602 4.474 1.00 0.00 H new ATOM 0 HB ILE A 450 1.434 -1.699 2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.704 0.950 0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.036 -0.185 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.632 -0.476 1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.351 -0.533 3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 450 -0.006 0.958 2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.787 -0.454 -1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.647 -1.917 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.295 -0.764 -0.132 1.00 0.00 H new ATOM 534 N MET A 451 4.021 -1.850 3.125 1.00 0.00 N ATOM 535 CA MET A 451 5.347 -2.375 2.819 1.00 0.00 C ATOM 536 C MET A 451 5.319 -3.213 1.545 1.00 0.00 C ATOM 537 O MET A 451 4.749 -4.303 1.503 1.00 0.00 O ATOM 538 CB MET A 451 5.867 -3.216 3.986 1.00 0.00 C ATOM 539 CG MET A 451 7.379 -3.377 3.993 1.00 0.00 C ATOM 540 SD MET A 451 7.969 -4.448 2.667 1.00 0.00 S ATOM 541 CE MET A 451 9.368 -3.504 2.068 1.00 0.00 C ATOM 0 H MET A 451 3.304 -2.564 3.255 1.00 0.00 H new ATOM 0 HA MET A 451 6.018 -1.531 2.662 1.00 0.00 H new ATOM 0 HB2 MET A 451 5.555 -2.755 4.923 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.405 -4.202 3.947 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.845 -2.396 3.898 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.693 -3.787 4.953 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.114 -4.182 1.654 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.036 -2.813 1.293 1.00 0.00 H new ATOM 0 HE3 MET A 451 9.807 -2.941 2.892 1.00 0.00 H new ATOM 551 N PRO A 452 5.950 -2.694 0.481 1.00 0.00 N ATOM 552 CA PRO A 452 6.011 -3.379 -0.814 1.00 0.00 C ATOM 553 C PRO A 452 6.897 -4.619 -0.772 1.00 0.00 C ATOM 554 O PRO A 452 7.981 -4.602 -0.189 1.00 0.00 O ATOM 555 CB PRO A 452 6.614 -2.323 -1.745 1.00 0.00 C ATOM 556 CG PRO A 452 7.395 -1.427 -0.847 1.00 0.00 C ATOM 557 CD PRO A 452 6.650 -1.399 0.459 1.00 0.00 C ATOM 0 HA PRO A 452 5.032 -3.739 -1.132 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.253 -2.780 -2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.837 -1.772 -2.275 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.410 -1.800 -0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.478 -0.426 -1.270 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.328 -1.294 1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.951 -0.564 0.505 1.00 0.00 H new ATOM 565 N LYS A 453 6.429 -5.696 -1.394 1.00 0.00 N ATOM 566 CA LYS A 453 7.178 -6.946 -1.430 1.00 0.00 C ATOM 567 C LYS A 453 8.053 -7.020 -2.677 1.00 0.00 C ATOM 568 O LYS A 453 7.673 -7.628 -3.679 1.00 0.00 O ATOM 569 CB LYS A 453 6.221 -8.140 -1.394 1.00 0.00 C ATOM 570 CG LYS A 453 5.574 -8.360 -0.037 1.00 0.00 C ATOM 571 CD LYS A 453 6.562 -8.932 0.965 1.00 0.00 C ATOM 572 CE LYS A 453 5.853 -9.688 2.078 1.00 0.00 C ATOM 573 NZ LYS A 453 5.296 -10.984 1.601 1.00 0.00 N ATOM 0 H LYS A 453 5.533 -5.728 -1.881 1.00 0.00 H new ATOM 0 HA LYS A 453 7.823 -6.979 -0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.440 -7.992 -2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 453 6.766 -9.040 -1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.181 -7.415 0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.727 -9.038 -0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 453 7.255 -9.601 0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 453 7.156 -8.125 1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 453 6.551 -9.871 2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 453 5.048 -9.073 2.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 5.082 -11.591 2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 4.424 -10.810 1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 5.992 -11.457 0.991 1.00 0.00 H new ATOM 587 N HIS A 454 9.227 -6.400 -2.609 1.00 0.00 N ATOM 588 CA HIS A 454 10.157 -6.398 -3.733 1.00 0.00 C ATOM 589 C HIS A 454 11.600 -6.325 -3.244 1.00 0.00 C ATOM 590 O HIS A 454 11.865 -5.869 -2.132 1.00 0.00 O ATOM 591 CB HIS A 454 9.862 -5.222 -4.664 1.00 0.00 C ATOM 592 CG HIS A 454 10.353 -5.428 -6.064 1.00 0.00 C ATOM 593 ND1 HIS A 454 11.691 -5.446 -6.397 1.00 0.00 N ATOM 594 CD2 HIS A 454 9.677 -5.628 -7.219 1.00 0.00 C ATOM 595 CE1 HIS A 454 11.817 -5.647 -7.697 1.00 0.00 C ATOM 596 NE2 HIS A 454 10.609 -5.760 -8.219 1.00 0.00 N ATOM 0 H HIS A 454 9.557 -5.893 -1.788 1.00 0.00 H new ATOM 0 HA HIS A 454 10.025 -7.330 -4.283 1.00 0.00 H new ATOM 0 HB2 HIS A 454 8.786 -5.049 -4.687 1.00 0.00 H new ATOM 0 HB3 HIS A 454 10.321 -4.322 -4.255 1.00 0.00 H new ATOM 0 HD2 HIS A 454 8.604 -5.675 -7.333 1.00 0.00 H new ATOM 0 HE1 HIS A 454 12.749 -5.708 -8.240 1.00 0.00 H new ATOM 0 HE2 HIS A 454 10.402 -5.919 -9.205 1.00 0.00 H new ATOM 604 N GLU A 455 12.527 -6.779 -4.081 1.00 0.00 N ATOM 605 CA GLU A 455 13.943 -6.766 -3.732 1.00 0.00 C ATOM 606 C GLU A 455 14.506 -5.348 -3.792 1.00 0.00 C ATOM 607 O GLU A 455 14.954 -4.804 -2.783 1.00 0.00 O ATOM 608 CB GLU A 455 14.732 -7.680 -4.672 1.00 0.00 C ATOM 609 CG GLU A 455 14.265 -9.125 -4.649 1.00 0.00 C ATOM 610 CD GLU A 455 14.868 -9.915 -3.504 1.00 0.00 C ATOM 611 OE1 GLU A 455 14.295 -9.885 -2.395 1.00 0.00 O ATOM 612 OE2 GLU A 455 15.914 -10.563 -3.718 1.00 0.00 O ATOM 0 H GLU A 455 12.323 -7.160 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 455 14.042 -7.135 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 455 14.652 -7.297 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 455 15.787 -7.643 -4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 455 13.178 -9.150 -4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 455 14.527 -9.603 -5.593 1.00 0.00 H new ATOM 619 N ASP A 456 14.479 -4.758 -4.982 1.00 0.00 N ATOM 620 CA ASP A 456 14.985 -3.404 -5.175 1.00 0.00 C ATOM 621 C ASP A 456 14.698 -2.537 -3.953 1.00 0.00 C ATOM 622 O ASP A 456 15.616 -2.020 -3.316 1.00 0.00 O ATOM 623 CB ASP A 456 14.359 -2.775 -6.421 1.00 0.00 C ATOM 624 CG ASP A 456 14.988 -3.282 -7.704 1.00 0.00 C ATOM 625 OD1 ASP A 456 16.194 -3.604 -7.686 1.00 0.00 O ATOM 626 OD2 ASP A 456 14.273 -3.358 -8.725 1.00 0.00 O ATOM 0 H ASP A 456 14.112 -5.196 -5.827 1.00 0.00 H new ATOM 0 HA ASP A 456 16.065 -3.462 -5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 456 13.290 -2.989 -6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 456 14.467 -1.691 -6.371 1.00 0.00 H new ATOM 631 N LEU A 457 13.418 -2.381 -3.632 1.00 0.00 N ATOM 632 CA LEU A 457 13.009 -1.576 -2.487 1.00 0.00 C ATOM 633 C LEU A 457 13.282 -2.311 -1.179 1.00 0.00 C ATOM 634 O LEU A 457 13.090 -3.524 -1.084 1.00 0.00 O ATOM 635 CB LEU A 457 11.524 -1.226 -2.589 1.00 0.00 C ATOM 636 CG LEU A 457 11.173 -0.047 -3.497 1.00 0.00 C ATOM 637 CD1 LEU A 457 9.696 -0.073 -3.860 1.00 0.00 C ATOM 638 CD2 LEU A 457 11.535 1.270 -2.826 1.00 0.00 C ATOM 0 H LEU A 457 12.646 -2.802 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 457 13.594 -0.656 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 457 10.988 -2.105 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 457 11.152 -1.010 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 457 11.754 -0.136 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 457 9.465 0.774 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 457 9.466 -1.002 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 457 9.097 -0.010 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 457 11.278 2.098 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 457 10.982 1.366 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 457 12.605 1.290 -2.618 1.00 0.00 H new ATOM 650 N LYS A 458 13.727 -1.569 -0.171 1.00 0.00 N ATOM 651 CA LYS A 458 14.023 -2.148 1.134 1.00 0.00 C ATOM 652 C LYS A 458 13.179 -1.494 2.224 1.00 0.00 C ATOM 653 O LYS A 458 12.739 -2.157 3.163 1.00 0.00 O ATOM 654 CB LYS A 458 15.510 -1.990 1.461 1.00 0.00 C ATOM 655 CG LYS A 458 16.378 -3.100 0.896 1.00 0.00 C ATOM 656 CD LYS A 458 17.612 -3.334 1.753 1.00 0.00 C ATOM 657 CE LYS A 458 18.175 -4.732 1.549 1.00 0.00 C ATOM 658 NZ LYS A 458 19.409 -4.954 2.352 1.00 0.00 N ATOM 0 H LYS A 458 13.891 -0.564 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 458 13.777 -3.209 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 458 15.859 -1.033 1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 458 15.634 -1.958 2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 458 15.798 -4.021 0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 458 16.682 -2.845 -0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 458 18.374 -2.594 1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 458 17.359 -3.192 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 458 17.423 -5.471 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 458 18.397 -4.884 0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 19.762 -5.918 2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 20.135 -4.265 2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 19.192 -4.834 3.362 1.00 0.00 H new ATOM 672 N ASP A 459 12.957 -0.191 2.091 1.00 0.00 N ATOM 673 CA ASP A 459 12.164 0.552 3.063 1.00 0.00 C ATOM 674 C ASP A 459 10.700 0.612 2.638 1.00 0.00 C ATOM 675 O ASP A 459 10.381 0.472 1.458 1.00 0.00 O ATOM 676 CB ASP A 459 12.719 1.968 3.230 1.00 0.00 C ATOM 677 CG ASP A 459 12.375 2.866 2.058 1.00 0.00 C ATOM 678 OD1 ASP A 459 12.358 2.367 0.913 1.00 0.00 O ATOM 679 OD2 ASP A 459 12.121 4.067 2.286 1.00 0.00 O ATOM 0 H ASP A 459 13.315 0.372 1.320 1.00 0.00 H new ATOM 0 HA ASP A 459 12.225 0.032 4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 459 12.323 2.405 4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 459 13.802 1.920 3.342 1.00 0.00 H new ATOM 684 N MET A 460 9.816 0.821 3.608 1.00 0.00 N ATOM 685 CA MET A 460 8.386 0.900 3.333 1.00 0.00 C ATOM 686 C MET A 460 8.049 2.173 2.564 1.00 0.00 C ATOM 687 O MET A 460 8.891 3.060 2.413 1.00 0.00 O ATOM 688 CB MET A 460 7.591 0.854 4.639 1.00 0.00 C ATOM 689 CG MET A 460 7.776 2.088 5.507 1.00 0.00 C ATOM 690 SD MET A 460 9.166 1.935 6.645 1.00 0.00 S ATOM 691 CE MET A 460 8.307 1.751 8.206 1.00 0.00 C ATOM 0 H MET A 460 10.064 0.939 4.590 1.00 0.00 H new ATOM 0 HA MET A 460 8.112 0.043 2.718 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.532 0.739 4.406 1.00 0.00 H new ATOM 0 HB3 MET A 460 7.890 -0.027 5.206 1.00 0.00 H new ATOM 0 HG2 MET A 460 7.929 2.957 4.868 1.00 0.00 H new ATOM 0 HG3 MET A 460 6.864 2.267 6.076 1.00 0.00 H new ATOM 0 HE1 MET A 460 9.034 1.645 9.011 1.00 0.00 H new ATOM 0 HE2 MET A 460 7.690 2.631 8.388 1.00 0.00 H new ATOM 0 HE3 MET A 460 7.673 0.865 8.170 1.00 0.00 H new ATOM 701 N LEU A 461 6.815 2.258 2.079 1.00 0.00 N ATOM 702 CA LEU A 461 6.367 3.424 1.325 1.00 0.00 C ATOM 703 C LEU A 461 4.963 3.841 1.750 1.00 0.00 C ATOM 704 O LEU A 461 4.329 3.174 2.567 1.00 0.00 O ATOM 705 CB LEU A 461 6.391 3.125 -0.175 1.00 0.00 C ATOM 706 CG LEU A 461 7.773 3.070 -0.826 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.484 1.776 -0.463 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.657 3.211 -2.337 1.00 0.00 C ATOM 0 H LEU A 461 6.107 1.533 2.194 1.00 0.00 H new ATOM 0 HA LEU A 461 7.049 4.247 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.894 2.169 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 461 5.801 3.885 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 461 8.365 3.904 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.466 1.755 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.601 1.716 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.896 0.927 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.650 3.170 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 461 7.047 2.399 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.190 4.166 -2.579 1.00 0.00 H new ATOM 720 N GLU A 462 4.484 4.946 1.188 1.00 0.00 N ATOM 721 CA GLU A 462 3.154 5.450 1.509 1.00 0.00 C ATOM 722 C GLU A 462 2.415 5.878 0.244 1.00 0.00 C ATOM 723 O GLU A 462 2.831 6.808 -0.447 1.00 0.00 O ATOM 724 CB GLU A 462 3.251 6.629 2.479 1.00 0.00 C ATOM 725 CG GLU A 462 4.096 6.338 3.708 1.00 0.00 C ATOM 726 CD GLU A 462 4.337 7.572 4.556 1.00 0.00 C ATOM 727 OE1 GLU A 462 4.555 8.657 3.977 1.00 0.00 O ATOM 728 OE2 GLU A 462 4.308 7.452 5.799 1.00 0.00 O ATOM 0 H GLU A 462 4.996 5.509 0.509 1.00 0.00 H new ATOM 0 HA GLU A 462 2.593 4.645 1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.671 7.487 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 462 2.247 6.911 2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 462 3.602 5.577 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 462 5.055 5.924 3.395 1.00 0.00 H new ATOM 735 N PHE A 463 1.316 5.192 -0.053 1.00 0.00 N ATOM 736 CA PHE A 463 0.520 5.499 -1.235 1.00 0.00 C ATOM 737 C PHE A 463 -0.921 5.823 -0.851 1.00 0.00 C ATOM 738 O PHE A 463 -1.437 5.361 0.167 1.00 0.00 O ATOM 739 CB PHE A 463 0.546 4.323 -2.214 1.00 0.00 C ATOM 740 CG PHE A 463 1.842 3.563 -2.203 1.00 0.00 C ATOM 741 CD1 PHE A 463 2.902 3.963 -3.001 1.00 0.00 C ATOM 742 CD2 PHE A 463 2.000 2.448 -1.395 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.095 3.266 -2.993 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.191 1.748 -1.382 1.00 0.00 C ATOM 745 CZ PHE A 463 4.240 2.157 -2.183 1.00 0.00 C ATOM 0 H PHE A 463 0.957 4.420 0.509 1.00 0.00 H new ATOM 0 HA PHE A 463 0.955 6.374 -1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.268 3.640 -1.971 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.361 4.695 -3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.794 4.830 -3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.183 2.123 -0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 463 4.913 3.588 -3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.302 0.882 -0.746 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.171 1.610 -2.176 1.00 0.00 H new ATOM 755 N PRO A 464 -1.587 6.636 -1.684 1.00 0.00 N ATOM 756 CA PRO A 464 -2.977 7.040 -1.453 1.00 0.00 C ATOM 757 C PRO A 464 -3.955 5.886 -1.641 1.00 0.00 C ATOM 758 O PRO A 464 -3.836 5.107 -2.587 1.00 0.00 O ATOM 759 CB PRO A 464 -3.213 8.119 -2.513 1.00 0.00 C ATOM 760 CG PRO A 464 -2.242 7.804 -3.598 1.00 0.00 C ATOM 761 CD PRO A 464 -1.034 7.223 -2.916 1.00 0.00 C ATOM 0 HA PRO A 464 -3.137 7.384 -0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.239 8.095 -2.881 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -3.043 9.116 -2.107 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.667 7.096 -4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -1.980 8.701 -4.160 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.546 6.471 -3.536 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.289 7.988 -2.697 1.00 0.00 H new ATOM 769 N ALA A 465 -4.922 5.783 -0.736 1.00 0.00 N ATOM 770 CA ALA A 465 -5.923 4.725 -0.804 1.00 0.00 C ATOM 771 C ALA A 465 -6.385 4.498 -2.239 1.00 0.00 C ATOM 772 O ALA A 465 -6.817 3.402 -2.595 1.00 0.00 O ATOM 773 CB ALA A 465 -7.109 5.062 0.088 1.00 0.00 C ATOM 0 H ALA A 465 -5.034 6.419 0.053 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.465 3.802 -0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -7.848 4.263 0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -6.771 5.166 1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.558 5.998 -0.243 1.00 0.00 H new ATOM 779 N GLN A 466 -6.291 5.540 -3.058 1.00 0.00 N ATOM 780 CA GLN A 466 -6.702 5.454 -4.454 1.00 0.00 C ATOM 781 C GLN A 466 -5.714 4.618 -5.261 1.00 0.00 C ATOM 782 O GLN A 466 -6.104 3.686 -5.963 1.00 0.00 O ATOM 783 CB GLN A 466 -6.819 6.853 -5.061 1.00 0.00 C ATOM 784 CG GLN A 466 -7.209 7.922 -4.053 1.00 0.00 C ATOM 785 CD GLN A 466 -7.928 9.094 -4.694 1.00 0.00 C ATOM 786 OE1 GLN A 466 -7.932 9.241 -5.916 1.00 0.00 O ATOM 787 NE2 GLN A 466 -8.541 9.935 -3.869 1.00 0.00 N ATOM 0 H GLN A 466 -5.934 6.454 -2.779 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.677 4.968 -4.490 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -5.866 7.124 -5.515 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -7.559 6.832 -5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -7.850 7.480 -3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -6.314 8.283 -3.547 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -8.512 9.774 -2.862 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -9.041 10.742 -4.242 1.00 0.00 H new ATOM 796 N GLU A 467 -4.433 4.959 -5.156 1.00 0.00 N ATOM 797 CA GLU A 467 -3.390 4.240 -5.877 1.00 0.00 C ATOM 798 C GLU A 467 -3.401 2.758 -5.516 1.00 0.00 C ATOM 799 O GLU A 467 -3.127 1.900 -6.356 1.00 0.00 O ATOM 800 CB GLU A 467 -2.017 4.842 -5.567 1.00 0.00 C ATOM 801 CG GLU A 467 -1.630 5.982 -6.493 1.00 0.00 C ATOM 802 CD GLU A 467 -2.751 6.985 -6.685 1.00 0.00 C ATOM 803 OE1 GLU A 467 -3.815 6.593 -7.207 1.00 0.00 O ATOM 804 OE2 GLU A 467 -2.563 8.162 -6.312 1.00 0.00 O ATOM 0 H GLU A 467 -4.093 5.728 -4.579 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.589 4.337 -6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -2.012 5.203 -4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -1.262 4.058 -5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -0.756 6.493 -6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -1.341 5.576 -7.462 1.00 0.00 H new ATOM 811 N LEU A 468 -3.719 2.464 -4.260 1.00 0.00 N ATOM 812 CA LEU A 468 -3.765 1.085 -3.785 1.00 0.00 C ATOM 813 C LEU A 468 -5.174 0.514 -3.909 1.00 0.00 C ATOM 814 O LEU A 468 -6.135 1.088 -3.395 1.00 0.00 O ATOM 815 CB LEU A 468 -3.298 1.010 -2.330 1.00 0.00 C ATOM 816 CG LEU A 468 -1.866 1.471 -2.060 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.656 1.720 -0.575 1.00 0.00 C ATOM 818 CD2 LEU A 468 -0.869 0.443 -2.576 1.00 0.00 C ATOM 0 H LEU A 468 -3.949 3.162 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.095 0.490 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -3.973 1.612 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.397 -0.021 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.700 2.408 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.631 2.047 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.346 2.492 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -1.841 0.799 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 468 0.145 0.787 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.035 -0.509 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.003 0.314 -3.650 1.00 0.00 H new ATOM 830 N ARG A 469 -5.289 -0.620 -4.592 1.00 0.00 N ATOM 831 CA ARG A 469 -6.580 -1.270 -4.783 1.00 0.00 C ATOM 832 C ARG A 469 -6.440 -2.788 -4.717 1.00 0.00 C ATOM 833 O ARG A 469 -5.335 -3.324 -4.788 1.00 0.00 O ATOM 834 CB ARG A 469 -7.188 -0.861 -6.126 1.00 0.00 C ATOM 835 CG ARG A 469 -7.759 0.547 -6.133 1.00 0.00 C ATOM 836 CD ARG A 469 -8.921 0.673 -7.106 1.00 0.00 C ATOM 837 NE ARG A 469 -8.594 0.128 -8.421 1.00 0.00 N ATOM 838 CZ ARG A 469 -9.494 -0.077 -9.377 1.00 0.00 C ATOM 839 NH1 ARG A 469 -10.769 0.216 -9.164 1.00 0.00 N ATOM 840 NH2 ARG A 469 -9.118 -0.576 -10.548 1.00 0.00 N ATOM 0 H ARG A 469 -4.504 -1.108 -5.023 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.242 -0.948 -3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -6.424 -0.938 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -7.978 -1.565 -6.387 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -8.093 0.810 -5.129 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -6.977 1.256 -6.405 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -9.789 0.152 -6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -9.197 1.723 -7.207 1.00 0.00 H new ATOM 0 HE ARG A 469 -7.621 -0.108 -8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -11.061 0.600 -8.265 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -11.458 0.058 -9.899 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -8.138 -0.802 -10.715 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -9.810 -0.733 -11.281 1.00 0.00 H new