USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 563 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 458 CYS SG : rot 162:sc= 0.258 USER MOD Set 1.2: A 464 CYS SG : rot -157:sc= 0.148 USER MOD Set 1.3: A 469 CYS SG : rot -124:sc= 0.197 USER MOD Set 1.4: A 473 HIS : no HE2:sc= 0.407 K(o=1,f=0.45) USER MOD Set 2.1: A 437 CYS SG : rot -162:sc= 0.157 USER MOD Set 2.2: A 443 CYS SG : rot -163:sc= 0.655 USER MOD Set 2.3: A 448 CYS SG : rot -146:sc= -0.845 USER MOD Set 2.4: A 452 HIS : no HE2:sc= -4.52! K(o=-4.6!,f=-1.8) USER MOD Set 3.1: A 415 CYS SG : rot -156:sc= 0.225 USER MOD Set 3.2: A 421 CYS SG : rot -159:sc= 0.484 USER MOD Set 3.3: A 423 ASN : amide:sc= 0.0214 K(o=0.046,f=-0.77) USER MOD Set 3.4: A 426 CYS SG : rot -124:sc= 0.0536 USER MOD Set 3.5: A 430 HIS : no HE2:sc= -0.738 K(o=0.046,f=-3.4!) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN : amide:sc= 1.85 K(o=1.8,f=-5.3!) USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 419 THR OG1 : rot 180:sc= 0.00271 USER MOD Single : A 420 HIS : no HD1:sc= -0.0528 X(o=-0.053,f=-0.053) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ -176:sc= 0.791 (180deg=0.782) USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 434 HIS : no HD1:sc= -0.174 K(o=-0.17,f=-0.82) USER MOD Single : A 436 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 442 ASN : amide:sc= 0.721 K(o=0.72,f=0) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 463 ASN : amide:sc= 0.61 K(o=0.61,f=0) USER MOD Single : A 465 LYS NZ :NH3+ 161:sc= 2.8 (180deg=1.96) USER MOD Single : A 466 ASN : amide:sc= -0.0836 K(o=-0.084,f=-5.1!) USER MOD Single : A 468 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N GLU A 409 1.331 -15.167 -4.476 1.00 20.00 N ATOM 62 CA GLU A 409 0.642 -14.045 -3.821 1.00 20.00 C ATOM 63 C GLU A 409 -0.861 -14.293 -3.606 1.00 20.00 C ATOM 64 O GLU A 409 -1.705 -13.420 -3.818 1.00 20.00 O ATOM 65 CB GLU A 409 0.964 -12.711 -4.505 1.00 20.00 C ATOM 66 CG GLU A 409 0.756 -12.701 -6.027 1.00 20.00 C ATOM 67 CD GLU A 409 0.551 -11.267 -6.541 1.00 20.00 C ATOM 68 OE1 GLU A 409 1.530 -10.521 -6.774 1.00 20.00 O ATOM 69 OE2 GLU A 409 -0.622 -10.867 -6.720 1.00 20.00 O ATOM 0 HA GLU A 409 1.043 -13.972 -2.810 1.00 20.00 H new ATOM 0 HB2 GLU A 409 0.343 -11.932 -4.062 1.00 20.00 H new ATOM 0 HB3 GLU A 409 2.001 -12.451 -4.292 1.00 20.00 H new ATOM 0 HG2 GLU A 409 1.619 -13.149 -6.519 1.00 20.00 H new ATOM 0 HG3 GLU A 409 -0.110 -13.311 -6.284 1.00 20.00 H new ATOM 76 N LYS A 410 -1.185 -15.491 -3.104 1.00 20.00 N ATOM 77 CA LYS A 410 -2.480 -15.793 -2.462 1.00 20.00 C ATOM 78 C LYS A 410 -2.510 -15.385 -0.983 1.00 20.00 C ATOM 79 O LYS A 410 -3.515 -15.568 -0.297 1.00 20.00 O ATOM 80 CB LYS A 410 -2.845 -17.273 -2.676 1.00 20.00 C ATOM 81 CG LYS A 410 -3.143 -17.585 -4.153 1.00 20.00 C ATOM 82 CD LYS A 410 -3.493 -19.067 -4.340 1.00 20.00 C ATOM 83 CE LYS A 410 -3.823 -19.353 -5.811 1.00 20.00 C ATOM 84 NZ LYS A 410 -4.189 -20.777 -6.022 1.00 20.00 N ATOM 0 H LYS A 410 -0.551 -16.290 -3.130 1.00 20.00 H new ATOM 0 HA LYS A 410 -3.247 -15.186 -2.944 1.00 20.00 H new ATOM 0 HB2 LYS A 410 -2.025 -17.902 -2.331 1.00 20.00 H new ATOM 0 HB3 LYS A 410 -3.716 -17.523 -2.070 1.00 20.00 H new ATOM 0 HG2 LYS A 410 -3.970 -16.965 -4.500 1.00 20.00 H new ATOM 0 HG3 LYS A 410 -2.277 -17.332 -4.764 1.00 20.00 H new ATOM 0 HD2 LYS A 410 -2.657 -19.689 -4.020 1.00 20.00 H new ATOM 0 HD3 LYS A 410 -4.344 -19.329 -3.711 1.00 20.00 H new ATOM 0 HE2 LYS A 410 -4.646 -18.714 -6.131 1.00 20.00 H new ATOM 0 HE3 LYS A 410 -2.964 -19.101 -6.433 1.00 20.00 H new ATOM 0 HZ1 LYS A 410 -4.406 -20.935 -7.027 1.00 20.00 H new ATOM 0 HZ2 LYS A 410 -3.394 -21.385 -5.740 1.00 20.00 H new ATOM 0 HZ3 LYS A 410 -5.024 -21.010 -5.447 1.00 20.00 H new ATOM 98 N SER A 411 -1.411 -14.799 -0.507 1.00 20.00 N ATOM 99 CA SER A 411 -1.311 -14.128 0.782 1.00 20.00 C ATOM 100 C SER A 411 -2.001 -12.763 0.734 1.00 20.00 C ATOM 101 O SER A 411 -1.825 -12.000 -0.219 1.00 20.00 O ATOM 102 CB SER A 411 0.155 -13.964 1.178 1.00 20.00 C ATOM 103 OG SER A 411 0.240 -13.376 2.465 1.00 20.00 O ATOM 0 H SER A 411 -0.536 -14.780 -1.031 1.00 20.00 H new ATOM 0 HA SER A 411 -1.812 -14.742 1.530 1.00 20.00 H new ATOM 0 HB2 SER A 411 0.652 -14.934 1.177 1.00 20.00 H new ATOM 0 HB3 SER A 411 0.671 -13.340 0.448 1.00 20.00 H new ATOM 0 HG SER A 411 1.182 -13.274 2.716 1.00 20.00 H new ATOM 109 N LEU A 412 -2.781 -12.456 1.771 1.00 20.00 N ATOM 110 CA LEU A 412 -3.579 -11.229 1.876 1.00 20.00 C ATOM 111 C LEU A 412 -2.752 -9.999 2.314 1.00 20.00 C ATOM 112 O LEU A 412 -3.200 -8.861 2.167 1.00 20.00 O ATOM 113 CB LEU A 412 -4.763 -11.545 2.809 1.00 20.00 C ATOM 114 CG LEU A 412 -5.856 -10.465 2.914 1.00 20.00 C ATOM 115 CD1 LEU A 412 -6.480 -10.116 1.559 1.00 20.00 C ATOM 116 CD2 LEU A 412 -6.954 -10.990 3.842 1.00 20.00 C ATOM 0 H LEU A 412 -2.879 -13.067 2.582 1.00 20.00 H new ATOM 0 HA LEU A 412 -3.951 -10.934 0.895 1.00 20.00 H new ATOM 0 HB2 LEU A 412 -5.228 -12.471 2.470 1.00 20.00 H new ATOM 0 HB3 LEU A 412 -4.370 -11.733 3.808 1.00 20.00 H new ATOM 0 HG LEU A 412 -5.394 -9.556 3.299 1.00 20.00 H new ATOM 0 HD11 LEU A 412 -7.243 -9.350 1.696 1.00 20.00 H new ATOM 0 HD12 LEU A 412 -5.707 -9.742 0.888 1.00 20.00 H new ATOM 0 HD13 LEU A 412 -6.935 -11.008 1.127 1.00 20.00 H new ATOM 0 HD21 LEU A 412 -7.742 -10.242 3.933 1.00 20.00 H new ATOM 0 HD22 LEU A 412 -7.371 -11.908 3.429 1.00 20.00 H new ATOM 0 HD23 LEU A 412 -6.532 -11.194 4.826 1.00 20.00 H new ATOM 128 N GLU A 413 -1.533 -10.215 2.814 1.00 20.00 N ATOM 129 CA GLU A 413 -0.564 -9.142 3.079 1.00 20.00 C ATOM 130 C GLU A 413 -0.020 -8.535 1.773 1.00 20.00 C ATOM 131 O GLU A 413 0.093 -9.219 0.751 1.00 20.00 O ATOM 132 CB GLU A 413 0.576 -9.649 3.977 1.00 20.00 C ATOM 133 CG GLU A 413 0.170 -9.654 5.450 1.00 20.00 C ATOM 134 CD GLU A 413 1.335 -10.113 6.350 1.00 20.00 C ATOM 135 OE1 GLU A 413 1.475 -11.337 6.595 1.00 20.00 O ATOM 136 OE2 GLU A 413 2.110 -9.252 6.833 1.00 20.00 O ATOM 0 H GLU A 413 -1.186 -11.145 3.049 1.00 20.00 H new ATOM 0 HA GLU A 413 -1.085 -8.346 3.611 1.00 20.00 H new ATOM 0 HB2 GLU A 413 0.859 -10.657 3.673 1.00 20.00 H new ATOM 0 HB3 GLU A 413 1.454 -9.017 3.843 1.00 20.00 H new ATOM 0 HG2 GLU A 413 -0.148 -8.654 5.745 1.00 20.00 H new ATOM 0 HG3 GLU A 413 -0.685 -10.316 5.592 1.00 20.00 H new ATOM 143 N GLN A 414 0.334 -7.246 1.816 1.00 20.00 N ATOM 144 CA GLN A 414 0.835 -6.492 0.655 1.00 20.00 C ATOM 145 C GLN A 414 2.339 -6.173 0.761 1.00 20.00 C ATOM 146 O GLN A 414 2.859 -5.918 1.851 1.00 20.00 O ATOM 147 CB GLN A 414 -0.045 -5.249 0.391 1.00 20.00 C ATOM 148 CG GLN A 414 -0.131 -4.960 -1.119 1.00 20.00 C ATOM 149 CD GLN A 414 -1.158 -3.910 -1.525 1.00 20.00 C ATOM 150 OE1 GLN A 414 -1.288 -2.859 -0.930 1.00 20.00 O ATOM 151 NE2 GLN A 414 -1.919 -4.144 -2.573 1.00 20.00 N ATOM 0 H GLN A 414 0.281 -6.687 2.668 1.00 20.00 H new ATOM 0 HA GLN A 414 0.750 -7.131 -0.224 1.00 20.00 H new ATOM 0 HB2 GLN A 414 -1.045 -5.412 0.794 1.00 20.00 H new ATOM 0 HB3 GLN A 414 0.371 -4.385 0.910 1.00 20.00 H new ATOM 0 HG2 GLN A 414 0.850 -4.638 -1.467 1.00 20.00 H new ATOM 0 HG3 GLN A 414 -0.363 -5.890 -1.637 1.00 20.00 H new ATOM 0 HE21 GLN A 414 -1.825 -5.021 -3.086 1.00 20.00 H new ATOM 0 HE22 GLN A 414 -2.603 -3.449 -2.872 1.00 20.00 H new ATOM 160 N CYS A 415 3.035 -6.219 -0.378 1.00 20.00 N ATOM 161 CA CYS A 415 4.472 -6.026 -0.518 1.00 20.00 C ATOM 162 C CYS A 415 4.987 -4.633 -0.116 1.00 20.00 C ATOM 163 O CYS A 415 4.272 -3.630 -0.178 1.00 20.00 O ATOM 164 CB CYS A 415 4.843 -6.348 -1.954 1.00 20.00 C ATOM 165 SG CYS A 415 6.588 -6.893 -1.994 1.00 20.00 S ATOM 0 H CYS A 415 2.582 -6.402 -1.273 1.00 20.00 H new ATOM 0 HA CYS A 415 4.960 -6.698 0.188 1.00 20.00 H new ATOM 0 HB2 CYS A 415 4.193 -7.130 -2.347 1.00 20.00 H new ATOM 0 HB3 CYS A 415 4.705 -5.471 -2.587 1.00 20.00 H new ATOM 0 HG CYS A 415 7.076 -6.699 -3.183 1.00 20.00 H new ATOM 170 N LYS A 416 6.277 -4.571 0.224 1.00 20.00 N ATOM 171 CA LYS A 416 6.970 -3.366 0.703 1.00 20.00 C ATOM 172 C LYS A 416 7.158 -2.285 -0.369 1.00 20.00 C ATOM 173 O LYS A 416 7.230 -1.106 -0.022 1.00 20.00 O ATOM 174 CB LYS A 416 8.326 -3.773 1.303 1.00 20.00 C ATOM 175 CG LYS A 416 8.159 -4.537 2.629 1.00 20.00 C ATOM 176 CD LYS A 416 9.497 -4.951 3.257 1.00 20.00 C ATOM 177 CE LYS A 416 10.353 -3.734 3.631 1.00 20.00 C ATOM 178 NZ LYS A 416 11.593 -4.135 4.348 1.00 20.00 N ATOM 0 H LYS A 416 6.891 -5.384 0.173 1.00 20.00 H new ATOM 0 HA LYS A 416 6.332 -2.912 1.462 1.00 20.00 H new ATOM 0 HB2 LYS A 416 8.866 -4.396 0.590 1.00 20.00 H new ATOM 0 HB3 LYS A 416 8.931 -2.882 1.471 1.00 20.00 H new ATOM 0 HG2 LYS A 416 7.611 -3.913 3.335 1.00 20.00 H new ATOM 0 HG3 LYS A 416 7.555 -5.427 2.455 1.00 20.00 H new ATOM 0 HD2 LYS A 416 9.310 -5.551 4.148 1.00 20.00 H new ATOM 0 HD3 LYS A 416 10.047 -5.581 2.558 1.00 20.00 H new ATOM 0 HE2 LYS A 416 10.616 -3.183 2.728 1.00 20.00 H new ATOM 0 HE3 LYS A 416 9.772 -3.059 4.259 1.00 20.00 H new ATOM 0 HZ1 LYS A 416 12.147 -3.287 4.585 1.00 20.00 H new ATOM 0 HZ2 LYS A 416 11.341 -4.639 5.222 1.00 20.00 H new ATOM 0 HZ3 LYS A 416 12.160 -4.759 3.739 1.00 20.00 H new ATOM 192 N PHE A 417 7.235 -2.655 -1.651 1.00 20.00 N ATOM 193 CA PHE A 417 7.595 -1.738 -2.742 1.00 20.00 C ATOM 194 C PHE A 417 6.441 -1.398 -3.702 1.00 20.00 C ATOM 195 O PHE A 417 6.647 -0.623 -4.634 1.00 20.00 O ATOM 196 CB PHE A 417 8.846 -2.283 -3.450 1.00 20.00 C ATOM 197 CG PHE A 417 10.081 -2.296 -2.565 1.00 20.00 C ATOM 198 CD1 PHE A 417 10.892 -1.147 -2.475 1.00 20.00 C ATOM 199 CD2 PHE A 417 10.407 -3.436 -1.802 1.00 20.00 C ATOM 200 CE1 PHE A 417 12.021 -1.141 -1.636 1.00 20.00 C ATOM 201 CE2 PHE A 417 11.534 -3.428 -0.961 1.00 20.00 C ATOM 202 CZ PHE A 417 12.343 -2.281 -0.879 1.00 20.00 C ATOM 0 H PHE A 417 7.048 -3.607 -1.966 1.00 20.00 H new ATOM 0 HA PHE A 417 7.827 -0.767 -2.304 1.00 20.00 H new ATOM 0 HB2 PHE A 417 8.646 -3.297 -3.797 1.00 20.00 H new ATOM 0 HB3 PHE A 417 9.047 -1.678 -4.334 1.00 20.00 H new ATOM 0 HD1 PHE A 417 10.646 -0.268 -3.052 1.00 20.00 H new ATOM 0 HD2 PHE A 417 9.788 -4.319 -1.864 1.00 20.00 H new ATOM 0 HE1 PHE A 417 12.641 -0.259 -1.573 1.00 20.00 H new ATOM 0 HE2 PHE A 417 11.778 -4.303 -0.378 1.00 20.00 H new ATOM 0 HZ PHE A 417 13.210 -2.276 -0.236 1.00 20.00 H new ATOM 212 N GLY A 418 5.223 -1.914 -3.481 1.00 20.00 N ATOM 213 CA GLY A 418 4.014 -1.530 -4.233 1.00 20.00 C ATOM 214 C GLY A 418 4.169 -1.576 -5.761 1.00 20.00 C ATOM 215 O GLY A 418 4.442 -2.630 -6.340 1.00 20.00 O ATOM 0 H GLY A 418 5.045 -2.619 -2.766 1.00 20.00 H new ATOM 0 HA2 GLY A 418 3.197 -2.191 -3.944 1.00 20.00 H new ATOM 0 HA3 GLY A 418 3.726 -0.520 -3.941 1.00 20.00 H new ATOM 219 N THR A 419 4.017 -0.424 -6.421 1.00 20.00 N ATOM 220 CA THR A 419 4.199 -0.242 -7.878 1.00 20.00 C ATOM 221 C THR A 419 5.644 -0.457 -8.350 1.00 20.00 C ATOM 222 O THR A 419 5.868 -0.787 -9.516 1.00 20.00 O ATOM 223 CB THR A 419 3.780 1.178 -8.300 1.00 20.00 C ATOM 224 OG1 THR A 419 4.390 2.139 -7.460 1.00 20.00 O ATOM 225 CG2 THR A 419 2.269 1.389 -8.219 1.00 20.00 C ATOM 0 H THR A 419 3.755 0.440 -5.947 1.00 20.00 H new ATOM 0 HA THR A 419 3.570 -1.001 -8.342 1.00 20.00 H new ATOM 0 HB THR A 419 4.101 1.296 -9.335 1.00 20.00 H new ATOM 0 HG1 THR A 419 4.117 3.038 -7.739 1.00 20.00 H new ATOM 0 HG21 THR A 419 2.027 2.406 -8.527 1.00 20.00 H new ATOM 0 HG22 THR A 419 1.767 0.681 -8.878 1.00 20.00 H new ATOM 0 HG23 THR A 419 1.934 1.231 -7.194 1.00 20.00 H new ATOM 233 N HIS A 420 6.625 -0.306 -7.455 1.00 20.00 N ATOM 234 CA HIS A 420 8.066 -0.406 -7.718 1.00 20.00 C ATOM 235 C HIS A 420 8.657 -1.800 -7.425 1.00 20.00 C ATOM 236 O HIS A 420 9.849 -2.014 -7.648 1.00 20.00 O ATOM 237 CB HIS A 420 8.772 0.710 -6.926 1.00 20.00 C ATOM 238 CG HIS A 420 10.198 0.975 -7.352 1.00 20.00 C ATOM 239 ND1 HIS A 420 10.586 1.688 -8.491 1.00 20.00 N ATOM 240 CD2 HIS A 420 11.318 0.568 -6.685 1.00 20.00 C ATOM 241 CE1 HIS A 420 11.930 1.687 -8.486 1.00 20.00 C ATOM 242 NE2 HIS A 420 12.395 1.024 -7.414 1.00 20.00 N ATOM 0 H HIS A 420 6.426 -0.100 -6.476 1.00 20.00 H new ATOM 0 HA HIS A 420 8.235 -0.272 -8.786 1.00 20.00 H new ATOM 0 HB2 HIS A 420 8.198 1.631 -7.030 1.00 20.00 H new ATOM 0 HB3 HIS A 420 8.765 0.448 -5.868 1.00 20.00 H new ATOM 0 HD2 HIS A 420 11.353 0.000 -5.767 1.00 20.00 H new ATOM 0 HE1 HIS A 420 12.549 2.154 -9.238 1.00 20.00 H new ATOM 0 HE2 HIS A 420 13.378 0.882 -7.180 1.00 20.00 H new ATOM 250 N CYS A 421 7.851 -2.765 -6.954 1.00 20.00 N ATOM 251 CA CYS A 421 8.311 -4.148 -6.783 1.00 20.00 C ATOM 252 C CYS A 421 8.589 -4.819 -8.148 1.00 20.00 C ATOM 253 O CYS A 421 7.789 -4.686 -9.085 1.00 20.00 O ATOM 254 CB CYS A 421 7.342 -4.961 -5.932 1.00 20.00 C ATOM 255 SG CYS A 421 8.281 -6.435 -5.368 1.00 20.00 S ATOM 0 H CYS A 421 6.879 -2.611 -6.686 1.00 20.00 H new ATOM 0 HA CYS A 421 9.256 -4.117 -6.241 1.00 20.00 H new ATOM 0 HB2 CYS A 421 6.984 -4.378 -5.083 1.00 20.00 H new ATOM 0 HB3 CYS A 421 6.466 -5.254 -6.510 1.00 20.00 H new ATOM 0 HG CYS A 421 7.450 -7.374 -5.026 1.00 20.00 H new ATOM 260 N THR A 422 9.709 -5.548 -8.262 1.00 20.00 N ATOM 261 CA THR A 422 10.245 -6.091 -9.529 1.00 20.00 C ATOM 262 C THR A 422 10.356 -7.620 -9.600 1.00 20.00 C ATOM 263 O THR A 422 10.583 -8.153 -10.692 1.00 20.00 O ATOM 264 CB THR A 422 11.634 -5.498 -9.839 1.00 20.00 C ATOM 265 OG1 THR A 422 12.513 -5.727 -8.755 1.00 20.00 O ATOM 266 CG2 THR A 422 11.589 -3.993 -10.102 1.00 20.00 C ATOM 0 H THR A 422 10.287 -5.785 -7.455 1.00 20.00 H new ATOM 0 HA THR A 422 9.503 -5.794 -10.270 1.00 20.00 H new ATOM 0 HB THR A 422 11.985 -5.996 -10.743 1.00 20.00 H new ATOM 0 HG1 THR A 422 13.393 -5.348 -8.962 1.00 20.00 H new ATOM 0 HG21 THR A 422 12.595 -3.631 -10.314 1.00 20.00 H new ATOM 0 HG22 THR A 422 10.943 -3.792 -10.957 1.00 20.00 H new ATOM 0 HG23 THR A 422 11.197 -3.482 -9.223 1.00 20.00 H new ATOM 274 N ASN A 423 10.196 -8.346 -8.488 1.00 20.00 N ATOM 275 CA ASN A 423 10.372 -9.805 -8.428 1.00 20.00 C ATOM 276 C ASN A 423 9.180 -10.568 -9.054 1.00 20.00 C ATOM 277 O ASN A 423 8.025 -10.152 -8.932 1.00 20.00 O ATOM 278 CB ASN A 423 10.658 -10.208 -6.967 1.00 20.00 C ATOM 279 CG ASN A 423 10.830 -11.710 -6.775 1.00 20.00 C ATOM 280 OD1 ASN A 423 11.384 -12.410 -7.608 1.00 20.00 O ATOM 281 ND2 ASN A 423 10.333 -12.262 -5.694 1.00 20.00 N ATOM 0 H ASN A 423 9.937 -7.933 -7.592 1.00 20.00 H new ATOM 0 HA ASN A 423 11.228 -10.094 -9.038 1.00 20.00 H new ATOM 0 HB2 ASN A 423 11.561 -9.700 -6.628 1.00 20.00 H new ATOM 0 HB3 ASN A 423 9.841 -9.860 -6.335 1.00 20.00 H new ATOM 0 HD21 ASN A 423 10.411 -13.269 -5.554 1.00 20.00 H new ATOM 0 HD22 ASN A 423 9.869 -11.684 -4.993 1.00 20.00 H new ATOM 288 N LYS A 424 9.458 -11.696 -9.726 1.00 20.00 N ATOM 289 CA LYS A 424 8.497 -12.404 -10.603 1.00 20.00 C ATOM 290 C LYS A 424 7.602 -13.422 -9.886 1.00 20.00 C ATOM 291 O LYS A 424 6.533 -13.761 -10.392 1.00 20.00 O ATOM 292 CB LYS A 424 9.239 -13.064 -11.787 1.00 20.00 C ATOM 293 CG LYS A 424 10.300 -12.196 -12.493 1.00 20.00 C ATOM 294 CD LYS A 424 9.803 -10.807 -12.924 1.00 20.00 C ATOM 295 CE LYS A 424 10.960 -10.018 -13.549 1.00 20.00 C ATOM 296 NZ LYS A 424 10.668 -8.563 -13.573 1.00 20.00 N ATOM 0 H LYS A 424 10.369 -12.153 -9.678 1.00 20.00 H new ATOM 0 HA LYS A 424 7.815 -11.637 -10.970 1.00 20.00 H new ATOM 0 HB2 LYS A 424 9.723 -13.971 -11.425 1.00 20.00 H new ATOM 0 HB3 LYS A 424 8.500 -13.371 -12.527 1.00 20.00 H new ATOM 0 HG2 LYS A 424 11.152 -12.072 -11.825 1.00 20.00 H new ATOM 0 HG3 LYS A 424 10.660 -12.729 -13.373 1.00 20.00 H new ATOM 0 HD2 LYS A 424 8.989 -10.907 -13.641 1.00 20.00 H new ATOM 0 HD3 LYS A 424 9.405 -10.269 -12.064 1.00 20.00 H new ATOM 0 HE2 LYS A 424 11.874 -10.199 -12.983 1.00 20.00 H new ATOM 0 HE3 LYS A 424 11.138 -10.372 -14.564 1.00 20.00 H new ATOM 0 HZ1 LYS A 424 11.437 -8.063 -14.062 1.00 20.00 H new ATOM 0 HZ2 LYS A 424 9.773 -8.397 -14.075 1.00 20.00 H new ATOM 0 HZ3 LYS A 424 10.589 -8.209 -12.598 1.00 20.00 H new ATOM 310 N ARG A 425 8.034 -13.898 -8.715 1.00 20.00 N ATOM 311 CA ARG A 425 7.378 -14.923 -7.864 1.00 20.00 C ATOM 312 C ARG A 425 7.116 -14.408 -6.438 1.00 20.00 C ATOM 313 O ARG A 425 7.264 -15.130 -5.452 1.00 20.00 O ATOM 314 CB ARG A 425 8.200 -16.227 -7.887 1.00 20.00 C ATOM 315 CG ARG A 425 8.331 -16.842 -9.290 1.00 20.00 C ATOM 316 CD ARG A 425 9.199 -18.101 -9.223 1.00 20.00 C ATOM 317 NE ARG A 425 9.386 -18.701 -10.560 1.00 20.00 N ATOM 318 CZ ARG A 425 10.124 -19.758 -10.850 1.00 20.00 C ATOM 319 NH1 ARG A 425 10.778 -20.420 -9.939 1.00 20.00 N ATOM 320 NH2 ARG A 425 10.216 -20.179 -12.079 1.00 20.00 N ATOM 0 H ARG A 425 8.904 -13.564 -8.301 1.00 20.00 H new ATOM 0 HA ARG A 425 6.394 -15.142 -8.278 1.00 20.00 H new ATOM 0 HB2 ARG A 425 9.196 -16.027 -7.492 1.00 20.00 H new ATOM 0 HB3 ARG A 425 7.733 -16.954 -7.222 1.00 20.00 H new ATOM 0 HG2 ARG A 425 7.345 -17.089 -9.683 1.00 20.00 H new ATOM 0 HG3 ARG A 425 8.775 -16.119 -9.974 1.00 20.00 H new ATOM 0 HD2 ARG A 425 10.170 -17.852 -8.796 1.00 20.00 H new ATOM 0 HD3 ARG A 425 8.735 -18.829 -8.558 1.00 20.00 H new ATOM 0 HE ARG A 425 8.897 -18.255 -11.336 1.00 20.00 H new ATOM 0 HH11 ARG A 425 10.731 -20.127 -8.963 1.00 20.00 H new ATOM 0 HH12 ARG A 425 11.338 -21.231 -10.201 1.00 20.00 H new ATOM 0 HH21 ARG A 425 9.717 -19.692 -12.824 1.00 20.00 H new ATOM 0 HH22 ARG A 425 10.787 -20.995 -12.297 1.00 20.00 H new ATOM 334 N CYS A 426 6.815 -13.114 -6.343 1.00 20.00 N ATOM 335 CA CYS A 426 6.885 -12.368 -5.103 1.00 20.00 C ATOM 336 C CYS A 426 5.677 -12.622 -4.174 1.00 20.00 C ATOM 337 O CYS A 426 4.561 -12.886 -4.628 1.00 20.00 O ATOM 338 CB CYS A 426 7.245 -10.947 -5.485 1.00 20.00 C ATOM 339 SG CYS A 426 7.810 -10.060 -4.002 1.00 20.00 S ATOM 0 H CYS A 426 6.512 -12.553 -7.140 1.00 20.00 H new ATOM 0 HA CYS A 426 7.671 -12.711 -4.431 1.00 20.00 H new ATOM 0 HB2 CYS A 426 8.027 -10.948 -6.244 1.00 20.00 H new ATOM 0 HB3 CYS A 426 6.381 -10.443 -5.919 1.00 20.00 H new ATOM 0 HG CYS A 426 7.087 -8.993 -3.832 1.00 20.00 H new ATOM 344 N LYS A 427 5.946 -12.645 -2.862 1.00 20.00 N ATOM 345 CA LYS A 427 5.184 -13.425 -1.861 1.00 20.00 C ATOM 346 C LYS A 427 3.939 -12.748 -1.270 1.00 20.00 C ATOM 347 O LYS A 427 3.272 -13.316 -0.404 1.00 20.00 O ATOM 348 CB LYS A 427 6.143 -13.958 -0.780 1.00 20.00 C ATOM 349 CG LYS A 427 7.185 -14.934 -1.357 1.00 20.00 C ATOM 350 CD LYS A 427 8.029 -15.623 -0.274 1.00 20.00 C ATOM 351 CE LYS A 427 8.880 -14.629 0.529 1.00 20.00 C ATOM 352 NZ LYS A 427 9.726 -15.323 1.536 1.00 20.00 N ATOM 0 H LYS A 427 6.714 -12.113 -2.452 1.00 20.00 H new ATOM 0 HA LYS A 427 4.746 -14.258 -2.411 1.00 20.00 H new ATOM 0 HB2 LYS A 427 6.655 -13.121 -0.306 1.00 20.00 H new ATOM 0 HB3 LYS A 427 5.568 -14.461 -0.003 1.00 20.00 H new ATOM 0 HG2 LYS A 427 6.674 -15.693 -1.949 1.00 20.00 H new ATOM 0 HG3 LYS A 427 7.845 -14.393 -2.034 1.00 20.00 H new ATOM 0 HD2 LYS A 427 7.371 -16.164 0.405 1.00 20.00 H new ATOM 0 HD3 LYS A 427 8.682 -16.361 -0.741 1.00 20.00 H new ATOM 0 HE2 LYS A 427 9.515 -14.060 -0.151 1.00 20.00 H new ATOM 0 HE3 LYS A 427 8.229 -13.914 1.031 1.00 20.00 H new ATOM 0 HZ1 LYS A 427 10.287 -14.622 2.060 1.00 20.00 H new ATOM 0 HZ2 LYS A 427 9.118 -15.846 2.199 1.00 20.00 H new ATOM 0 HZ3 LYS A 427 10.365 -15.988 1.054 1.00 20.00 H new ATOM 366 N TYR A 428 3.618 -11.546 -1.739 1.00 20.00 N ATOM 367 CA TYR A 428 2.582 -10.668 -1.209 1.00 20.00 C ATOM 368 C TYR A 428 1.805 -10.038 -2.362 1.00 20.00 C ATOM 369 O TYR A 428 2.292 -10.012 -3.494 1.00 20.00 O ATOM 370 CB TYR A 428 3.286 -9.608 -0.354 1.00 20.00 C ATOM 371 CG TYR A 428 4.016 -10.236 0.815 1.00 20.00 C ATOM 372 CD1 TYR A 428 3.277 -10.666 1.929 1.00 20.00 C ATOM 373 CD2 TYR A 428 5.386 -10.543 0.715 1.00 20.00 C ATOM 374 CE1 TYR A 428 3.899 -11.386 2.965 1.00 20.00 C ATOM 375 CE2 TYR A 428 6.002 -11.311 1.719 1.00 20.00 C ATOM 376 CZ TYR A 428 5.268 -11.723 2.855 1.00 20.00 C ATOM 377 OH TYR A 428 5.879 -12.466 3.818 1.00 20.00 O ATOM 0 H TYR A 428 4.099 -11.138 -2.541 1.00 20.00 H new ATOM 0 HA TYR A 428 1.863 -11.214 -0.598 1.00 20.00 H new ATOM 0 HB2 TYR A 428 3.993 -9.052 -0.970 1.00 20.00 H new ATOM 0 HB3 TYR A 428 2.553 -8.891 0.016 1.00 20.00 H new ATOM 0 HD1 TYR A 428 2.222 -10.442 1.991 1.00 20.00 H new ATOM 0 HD2 TYR A 428 5.961 -10.191 -0.128 1.00 20.00 H new ATOM 0 HE1 TYR A 428 3.335 -11.679 3.838 1.00 20.00 H new ATOM 0 HE2 TYR A 428 7.041 -11.588 1.622 1.00 20.00 H new ATOM 0 HH TYR A 428 6.819 -12.603 3.578 1.00 20.00 H new ATOM 387 N ARG A 429 0.615 -9.495 -2.095 1.00 20.00 N ATOM 388 CA ARG A 429 -0.081 -8.661 -3.085 1.00 20.00 C ATOM 389 C ARG A 429 0.769 -7.439 -3.442 1.00 20.00 C ATOM 390 O ARG A 429 1.580 -6.982 -2.643 1.00 20.00 O ATOM 391 CB ARG A 429 -1.483 -8.287 -2.567 1.00 20.00 C ATOM 392 CG ARG A 429 -2.510 -9.397 -2.836 1.00 20.00 C ATOM 393 CD ARG A 429 -3.265 -9.234 -4.166 1.00 20.00 C ATOM 394 NE ARG A 429 -2.386 -9.153 -5.351 1.00 20.00 N ATOM 395 CZ ARG A 429 -2.056 -8.093 -6.061 1.00 20.00 C ATOM 396 NH1 ARG A 429 -2.555 -6.907 -5.883 1.00 20.00 N ATOM 397 NH2 ARG A 429 -1.117 -8.199 -6.948 1.00 20.00 N ATOM 0 H ARG A 429 0.116 -9.614 -1.213 1.00 20.00 H new ATOM 0 HA ARG A 429 -0.222 -9.224 -4.008 1.00 20.00 H new ATOM 0 HB2 ARG A 429 -1.433 -8.091 -1.496 1.00 20.00 H new ATOM 0 HB3 ARG A 429 -1.812 -7.365 -3.045 1.00 20.00 H new ATOM 0 HG2 ARG A 429 -1.999 -10.360 -2.834 1.00 20.00 H new ATOM 0 HG3 ARG A 429 -3.232 -9.417 -2.019 1.00 20.00 H new ATOM 0 HD2 ARG A 429 -3.948 -10.075 -4.290 1.00 20.00 H new ATOM 0 HD3 ARG A 429 -3.875 -8.332 -4.117 1.00 20.00 H new ATOM 0 HE ARG A 429 -1.980 -10.036 -5.661 1.00 20.00 H new ATOM 0 HH11 ARG A 429 -3.251 -6.751 -5.154 1.00 20.00 H new ATOM 0 HH12 ARG A 429 -2.251 -6.132 -6.472 1.00 20.00 H new ATOM 0 HH21 ARG A 429 -0.646 -9.093 -7.088 1.00 20.00 H new ATOM 0 HH22 ARG A 429 -0.849 -7.389 -7.506 1.00 20.00 H new ATOM 411 N HIS A 430 0.557 -6.877 -4.624 1.00 20.00 N ATOM 412 CA HIS A 430 1.264 -5.702 -5.125 1.00 20.00 C ATOM 413 C HIS A 430 0.260 -4.637 -5.607 1.00 20.00 C ATOM 414 O HIS A 430 -0.591 -4.929 -6.452 1.00 20.00 O ATOM 415 CB HIS A 430 2.224 -6.160 -6.236 1.00 20.00 C ATOM 416 CG HIS A 430 3.306 -7.117 -5.779 1.00 20.00 C ATOM 417 ND1 HIS A 430 3.325 -8.500 -5.887 1.00 20.00 N ATOM 418 CD2 HIS A 430 4.470 -6.759 -5.159 1.00 20.00 C ATOM 419 CE1 HIS A 430 4.464 -8.964 -5.331 1.00 20.00 C ATOM 420 NE2 HIS A 430 5.201 -7.917 -4.921 1.00 20.00 N ATOM 0 H HIS A 430 -0.133 -7.236 -5.283 1.00 20.00 H new ATOM 0 HA HIS A 430 1.849 -5.232 -4.334 1.00 20.00 H new ATOM 0 HB2 HIS A 430 1.644 -6.638 -7.025 1.00 20.00 H new ATOM 0 HB3 HIS A 430 2.696 -5.281 -6.675 1.00 20.00 H new ATOM 0 HD1 HIS A 430 2.598 -9.072 -6.316 1.00 20.00 H new ATOM 0 HD2 HIS A 430 4.769 -5.754 -4.900 1.00 20.00 H new ATOM 0 HE1 HIS A 430 4.738 -10.004 -5.232 1.00 20.00 H new ATOM 428 N ALA A 431 0.342 -3.410 -5.077 1.00 20.00 N ATOM 429 CA ALA A 431 -0.476 -2.277 -5.530 1.00 20.00 C ATOM 430 C ALA A 431 -0.037 -1.836 -6.940 1.00 20.00 C ATOM 431 O ALA A 431 1.138 -1.521 -7.149 1.00 20.00 O ATOM 432 CB ALA A 431 -0.388 -1.127 -4.507 1.00 20.00 C ATOM 0 H ALA A 431 0.981 -3.174 -4.318 1.00 20.00 H new ATOM 0 HA ALA A 431 -1.521 -2.580 -5.596 1.00 20.00 H new ATOM 0 HB1 ALA A 431 -0.996 -0.289 -4.848 1.00 20.00 H new ATOM 0 HB2 ALA A 431 -0.754 -1.472 -3.540 1.00 20.00 H new ATOM 0 HB3 ALA A 431 0.649 -0.806 -4.409 1.00 20.00 H new ATOM 438 N ARG A 432 -0.962 -1.839 -7.909 1.00 20.00 N ATOM 439 CA ARG A 432 -0.743 -1.381 -9.302 1.00 20.00 C ATOM 440 C ARG A 432 -1.807 -0.389 -9.806 1.00 20.00 C ATOM 441 O ARG A 432 -1.668 0.139 -10.911 1.00 20.00 O ATOM 442 CB ARG A 432 -0.558 -2.582 -10.262 1.00 20.00 C ATOM 443 CG ARG A 432 0.908 -3.049 -10.385 1.00 20.00 C ATOM 444 CD ARG A 432 1.351 -4.026 -9.287 1.00 20.00 C ATOM 445 NE ARG A 432 2.733 -3.774 -8.827 1.00 20.00 N ATOM 446 CZ ARG A 432 3.862 -4.236 -9.336 1.00 20.00 C ATOM 447 NH1 ARG A 432 3.914 -4.922 -10.441 1.00 20.00 N ATOM 448 NH2 ARG A 432 4.979 -4.012 -8.712 1.00 20.00 N ATOM 0 H ARG A 432 -1.914 -2.168 -7.748 1.00 20.00 H new ATOM 0 HA ARG A 432 0.187 -0.812 -9.292 1.00 20.00 H new ATOM 0 HB2 ARG A 432 -1.168 -3.414 -9.912 1.00 20.00 H new ATOM 0 HB3 ARG A 432 -0.928 -2.308 -11.250 1.00 20.00 H new ATOM 0 HG2 ARG A 432 1.046 -3.524 -11.356 1.00 20.00 H new ATOM 0 HG3 ARG A 432 1.559 -2.175 -10.363 1.00 20.00 H new ATOM 0 HD2 ARG A 432 0.670 -3.948 -8.440 1.00 20.00 H new ATOM 0 HD3 ARG A 432 1.277 -5.047 -9.662 1.00 20.00 H new ATOM 0 HE ARG A 432 2.827 -3.166 -8.013 1.00 20.00 H new ATOM 0 HH11 ARG A 432 3.057 -5.125 -10.956 1.00 20.00 H new ATOM 0 HH12 ARG A 432 4.811 -5.256 -10.792 1.00 20.00 H new ATOM 0 HH21 ARG A 432 4.979 -3.485 -7.839 1.00 20.00 H new ATOM 0 HH22 ARG A 432 5.857 -4.364 -9.095 1.00 20.00 H new ATOM 462 N SER A 433 -2.814 -0.077 -8.990 1.00 20.00 N ATOM 463 CA SER A 433 -3.817 0.973 -9.221 1.00 20.00 C ATOM 464 C SER A 433 -3.762 2.031 -8.110 1.00 20.00 C ATOM 465 O SER A 433 -3.333 1.753 -6.988 1.00 20.00 O ATOM 466 CB SER A 433 -5.222 0.361 -9.309 1.00 20.00 C ATOM 467 OG SER A 433 -5.318 -0.551 -10.391 1.00 20.00 O ATOM 0 H SER A 433 -2.963 -0.569 -8.109 1.00 20.00 H new ATOM 0 HA SER A 433 -3.590 1.461 -10.169 1.00 20.00 H new ATOM 0 HB2 SER A 433 -5.457 -0.151 -8.376 1.00 20.00 H new ATOM 0 HB3 SER A 433 -5.960 1.154 -9.432 1.00 20.00 H new ATOM 0 HG SER A 433 -6.222 -0.927 -10.423 1.00 20.00 H new ATOM 473 N HIS A 434 -4.208 3.252 -8.414 1.00 20.00 N ATOM 474 CA HIS A 434 -4.064 4.435 -7.546 1.00 20.00 C ATOM 475 C HIS A 434 -5.061 4.512 -6.368 1.00 20.00 C ATOM 476 O HIS A 434 -4.994 5.434 -5.552 1.00 20.00 O ATOM 477 CB HIS A 434 -4.147 5.699 -8.418 1.00 20.00 C ATOM 478 CG HIS A 434 -5.555 6.040 -8.844 1.00 20.00 C ATOM 479 ND1 HIS A 434 -6.501 5.129 -9.321 1.00 20.00 N ATOM 480 CD2 HIS A 434 -6.155 7.252 -8.672 1.00 20.00 C ATOM 481 CE1 HIS A 434 -7.656 5.810 -9.406 1.00 20.00 C ATOM 482 NE2 HIS A 434 -7.475 7.091 -9.039 1.00 20.00 N ATOM 0 H HIS A 434 -4.691 3.456 -9.289 1.00 20.00 H new ATOM 0 HA HIS A 434 -3.090 4.350 -7.065 1.00 20.00 H new ATOM 0 HB2 HIS A 434 -3.728 6.541 -7.866 1.00 20.00 H new ATOM 0 HB3 HIS A 434 -3.530 5.561 -9.306 1.00 20.00 H new ATOM 0 HD2 HIS A 434 -5.689 8.160 -8.318 1.00 20.00 H new ATOM 0 HE1 HIS A 434 -8.598 5.388 -9.724 1.00 20.00 H new ATOM 0 HE2 HIS A 434 -8.190 7.818 -9.033 1.00 20.00 H new ATOM 490 N ILE A 435 -6.006 3.572 -6.284 1.00 20.00 N ATOM 491 CA ILE A 435 -7.074 3.569 -5.277 1.00 20.00 C ATOM 492 C ILE A 435 -6.548 2.951 -3.977 1.00 20.00 C ATOM 493 O ILE A 435 -6.071 1.821 -3.996 1.00 20.00 O ATOM 494 CB ILE A 435 -8.313 2.813 -5.817 1.00 20.00 C ATOM 495 CG1 ILE A 435 -8.938 3.456 -7.076 1.00 20.00 C ATOM 496 CG2 ILE A 435 -9.408 2.660 -4.754 1.00 20.00 C ATOM 497 CD1 ILE A 435 -9.524 4.864 -6.878 1.00 20.00 C ATOM 0 H ILE A 435 -6.053 2.778 -6.923 1.00 20.00 H new ATOM 0 HA ILE A 435 -7.385 4.591 -5.063 1.00 20.00 H new ATOM 0 HB ILE A 435 -7.925 1.833 -6.094 1.00 20.00 H new ATOM 0 HG12 ILE A 435 -8.176 3.504 -7.854 1.00 20.00 H new ATOM 0 HG13 ILE A 435 -9.728 2.801 -7.443 1.00 20.00 H new ATOM 0 HG21 ILE A 435 -10.256 2.124 -5.180 1.00 20.00 H new ATOM 0 HG22 ILE A 435 -9.015 2.101 -3.905 1.00 20.00 H new ATOM 0 HG23 ILE A 435 -9.732 3.646 -4.421 1.00 20.00 H new ATOM 0 HD11 ILE A 435 -9.936 5.222 -7.821 1.00 20.00 H new ATOM 0 HD12 ILE A 435 -10.314 4.827 -6.127 1.00 20.00 H new ATOM 0 HD13 ILE A 435 -8.738 5.542 -6.545 1.00 20.00 H new ATOM 509 N MET A 436 -6.661 3.644 -2.840 1.00 20.00 N ATOM 510 CA MET A 436 -6.614 3.017 -1.509 1.00 20.00 C ATOM 511 C MET A 436 -7.976 2.379 -1.208 1.00 20.00 C ATOM 512 O MET A 436 -9.021 3.016 -1.375 1.00 20.00 O ATOM 513 CB MET A 436 -6.216 4.040 -0.426 1.00 20.00 C ATOM 514 CG MET A 436 -4.757 3.848 -0.004 1.00 20.00 C ATOM 515 SD MET A 436 -4.470 2.369 1.010 1.00 20.00 S ATOM 516 CE MET A 436 -2.660 2.340 1.031 1.00 20.00 C ATOM 0 H MET A 436 -6.788 4.656 -2.813 1.00 20.00 H new ATOM 0 HA MET A 436 -5.850 2.240 -1.503 1.00 20.00 H new ATOM 0 HB2 MET A 436 -6.359 5.052 -0.806 1.00 20.00 H new ATOM 0 HB3 MET A 436 -6.867 3.930 0.441 1.00 20.00 H new ATOM 0 HG2 MET A 436 -4.136 3.789 -0.898 1.00 20.00 H new ATOM 0 HG3 MET A 436 -4.432 4.727 0.553 1.00 20.00 H new ATOM 0 HE1 MET A 436 -2.317 1.487 1.616 1.00 20.00 H new ATOM 0 HE2 MET A 436 -2.286 2.255 0.011 1.00 20.00 H new ATOM 0 HE3 MET A 436 -2.287 3.261 1.479 1.00 20.00 H new ATOM 526 N CYS A 437 -7.961 1.109 -0.805 1.00 20.00 N ATOM 527 CA CYS A 437 -9.134 0.247 -0.842 1.00 20.00 C ATOM 528 C CYS A 437 -10.259 0.659 0.129 1.00 20.00 C ATOM 529 O CYS A 437 -10.007 1.152 1.235 1.00 20.00 O ATOM 530 CB CYS A 437 -8.670 -1.182 -0.620 1.00 20.00 C ATOM 531 SG CYS A 437 -10.033 -2.332 -1.005 1.00 20.00 S ATOM 0 H CYS A 437 -7.126 0.649 -0.441 1.00 20.00 H new ATOM 0 HA CYS A 437 -9.601 0.347 -1.822 1.00 20.00 H new ATOM 0 HB2 CYS A 437 -7.808 -1.398 -1.252 1.00 20.00 H new ATOM 0 HB3 CYS A 437 -8.349 -1.315 0.413 1.00 20.00 H new ATOM 0 HG CYS A 437 -9.790 -3.489 -0.464 1.00 20.00 H new ATOM 536 N ARG A 438 -11.510 0.406 -0.277 1.00 20.00 N ATOM 537 CA ARG A 438 -12.722 0.768 0.479 1.00 20.00 C ATOM 538 C ARG A 438 -12.867 0.062 1.818 1.00 20.00 C ATOM 539 O ARG A 438 -13.458 0.634 2.735 1.00 20.00 O ATOM 540 CB ARG A 438 -13.988 0.580 -0.374 1.00 20.00 C ATOM 541 CG ARG A 438 -14.260 -0.895 -0.718 1.00 20.00 C ATOM 542 CD ARG A 438 -15.707 -1.124 -1.169 1.00 20.00 C ATOM 543 NE ARG A 438 -16.577 -1.264 0.012 1.00 20.00 N ATOM 544 CZ ARG A 438 -17.854 -0.988 0.157 1.00 20.00 C ATOM 545 NH1 ARG A 438 -18.597 -0.509 -0.801 1.00 20.00 N ATOM 546 NH2 ARG A 438 -18.386 -1.212 1.319 1.00 20.00 N ATOM 0 H ARG A 438 -11.715 -0.066 -1.158 1.00 20.00 H new ATOM 0 HA ARG A 438 -12.600 1.825 0.717 1.00 20.00 H new ATOM 0 HB2 ARG A 438 -14.845 0.988 0.161 1.00 20.00 H new ATOM 0 HB3 ARG A 438 -13.887 1.151 -1.297 1.00 20.00 H new ATOM 0 HG2 ARG A 438 -13.580 -1.214 -1.508 1.00 20.00 H new ATOM 0 HG3 ARG A 438 -14.050 -1.515 0.154 1.00 20.00 H new ATOM 0 HD2 ARG A 438 -16.043 -0.289 -1.784 1.00 20.00 H new ATOM 0 HD3 ARG A 438 -15.768 -2.020 -1.787 1.00 20.00 H new ATOM 0 HE ARG A 438 -16.118 -1.632 0.845 1.00 20.00 H new ATOM 0 HH11 ARG A 438 -18.192 -0.330 -1.720 1.00 20.00 H new ATOM 0 HH12 ARG A 438 -19.584 -0.313 -0.632 1.00 20.00 H new ATOM 0 HH21 ARG A 438 -17.816 -1.588 2.077 1.00 20.00 H new ATOM 0 HH22 ARG A 438 -19.374 -1.012 1.475 1.00 20.00 H new ATOM 560 N GLU A 439 -12.331 -1.153 1.942 1.00 20.00 N ATOM 561 CA GLU A 439 -12.397 -1.902 3.196 1.00 20.00 C ATOM 562 C GLU A 439 -11.117 -1.728 4.038 1.00 20.00 C ATOM 563 O GLU A 439 -11.043 -2.164 5.189 1.00 20.00 O ATOM 564 CB GLU A 439 -12.711 -3.387 2.952 1.00 20.00 C ATOM 565 CG GLU A 439 -14.087 -3.680 2.342 1.00 20.00 C ATOM 566 CD GLU A 439 -15.260 -3.079 3.143 1.00 20.00 C ATOM 567 OE1 GLU A 439 -15.397 -3.378 4.355 1.00 20.00 O ATOM 568 OE2 GLU A 439 -16.065 -2.316 2.555 1.00 20.00 O ATOM 0 H GLU A 439 -11.846 -1.639 1.188 1.00 20.00 H new ATOM 0 HA GLU A 439 -13.221 -1.483 3.774 1.00 20.00 H new ATOM 0 HB2 GLU A 439 -11.946 -3.799 2.293 1.00 20.00 H new ATOM 0 HB3 GLU A 439 -12.633 -3.917 3.901 1.00 20.00 H new ATOM 0 HG2 GLU A 439 -14.115 -3.289 1.325 1.00 20.00 H new ATOM 0 HG3 GLU A 439 -14.221 -4.759 2.272 1.00 20.00 H new ATOM 575 N GLY A 440 -10.085 -1.105 3.460 1.00 20.00 N ATOM 576 CA GLY A 440 -8.743 -1.010 4.029 1.00 20.00 C ATOM 577 C GLY A 440 -8.149 -2.401 4.252 1.00 20.00 C ATOM 578 O GLY A 440 -8.173 -3.254 3.366 1.00 20.00 O ATOM 0 H GLY A 440 -10.166 -0.640 2.556 1.00 20.00 H new ATOM 0 HA2 GLY A 440 -8.099 -0.437 3.361 1.00 20.00 H new ATOM 0 HA3 GLY A 440 -8.781 -0.470 4.975 1.00 20.00 H new ATOM 582 N ALA A 441 -7.655 -2.648 5.464 1.00 20.00 N ATOM 583 CA ALA A 441 -7.143 -3.955 5.885 1.00 20.00 C ATOM 584 C ALA A 441 -8.235 -4.944 6.359 1.00 20.00 C ATOM 585 O ALA A 441 -7.919 -6.076 6.732 1.00 20.00 O ATOM 586 CB ALA A 441 -6.035 -3.729 6.914 1.00 20.00 C ATOM 0 H ALA A 441 -7.597 -1.937 6.193 1.00 20.00 H new ATOM 0 HA ALA A 441 -6.727 -4.460 5.013 1.00 20.00 H new ATOM 0 HB1 ALA A 441 -5.640 -4.691 7.241 1.00 20.00 H new ATOM 0 HB2 ALA A 441 -5.234 -3.142 6.464 1.00 20.00 H new ATOM 0 HB3 ALA A 441 -6.439 -3.193 7.772 1.00 20.00 H new ATOM 592 N ASN A 442 -9.518 -4.553 6.313 1.00 20.00 N ATOM 593 CA ASN A 442 -10.657 -5.463 6.494 1.00 20.00 C ATOM 594 C ASN A 442 -11.015 -6.178 5.174 1.00 20.00 C ATOM 595 O ASN A 442 -11.819 -7.114 5.175 1.00 20.00 O ATOM 596 CB ASN A 442 -11.874 -4.705 7.059 1.00 20.00 C ATOM 597 CG ASN A 442 -11.558 -3.838 8.265 1.00 20.00 C ATOM 598 OD1 ASN A 442 -11.537 -4.289 9.403 1.00 20.00 O ATOM 599 ND2 ASN A 442 -11.294 -2.567 8.054 1.00 20.00 N ATOM 0 H ASN A 442 -9.795 -3.586 6.147 1.00 20.00 H new ATOM 0 HA ASN A 442 -10.367 -6.227 7.215 1.00 20.00 H new ATOM 0 HB2 ASN A 442 -12.294 -4.077 6.273 1.00 20.00 H new ATOM 0 HB3 ASN A 442 -12.642 -5.427 7.335 1.00 20.00 H new ATOM 0 HD21 ASN A 442 -11.071 -1.955 8.839 1.00 20.00 H new ATOM 0 HD22 ASN A 442 -11.312 -2.193 7.105 1.00 20.00 H new ATOM 606 N CYS A 443 -10.419 -5.739 4.056 1.00 20.00 N ATOM 607 CA CYS A 443 -10.553 -6.357 2.747 1.00 20.00 C ATOM 608 C CYS A 443 -10.040 -7.813 2.764 1.00 20.00 C ATOM 609 O CYS A 443 -9.053 -8.120 3.439 1.00 20.00 O ATOM 610 CB CYS A 443 -9.755 -5.530 1.742 1.00 20.00 C ATOM 611 SG CYS A 443 -10.218 -5.980 0.031 1.00 20.00 S ATOM 0 H CYS A 443 -9.814 -4.918 4.047 1.00 20.00 H new ATOM 0 HA CYS A 443 -11.606 -6.383 2.466 1.00 20.00 H new ATOM 0 HB2 CYS A 443 -9.939 -4.469 1.908 1.00 20.00 H new ATOM 0 HB3 CYS A 443 -8.688 -5.695 1.892 1.00 20.00 H new ATOM 0 HG CYS A 443 -9.309 -5.548 -0.792 1.00 20.00 H new ATOM 616 N THR A 444 -10.667 -8.696 1.986 1.00 20.00 N ATOM 617 CA THR A 444 -10.247 -10.099 1.781 1.00 20.00 C ATOM 618 C THR A 444 -9.969 -10.432 0.310 1.00 20.00 C ATOM 619 O THR A 444 -9.827 -11.605 -0.052 1.00 20.00 O ATOM 620 CB THR A 444 -11.259 -11.086 2.394 1.00 20.00 C ATOM 621 OG1 THR A 444 -12.573 -10.800 1.952 1.00 20.00 O ATOM 622 CG2 THR A 444 -11.234 -11.019 3.922 1.00 20.00 C ATOM 0 H THR A 444 -11.508 -8.456 1.461 1.00 20.00 H new ATOM 0 HA THR A 444 -9.300 -10.213 2.308 1.00 20.00 H new ATOM 0 HB THR A 444 -10.971 -12.086 2.068 1.00 20.00 H new ATOM 0 HG1 THR A 444 -13.199 -11.439 2.352 1.00 20.00 H new ATOM 0 HG21 THR A 444 -11.957 -11.725 4.329 1.00 20.00 H new ATOM 0 HG22 THR A 444 -10.237 -11.273 4.281 1.00 20.00 H new ATOM 0 HG23 THR A 444 -11.490 -10.010 4.246 1.00 20.00 H new ATOM 630 N ARG A 445 -9.881 -9.421 -0.567 1.00 20.00 N ATOM 631 CA ARG A 445 -9.784 -9.586 -2.024 1.00 20.00 C ATOM 632 C ARG A 445 -8.326 -9.717 -2.490 1.00 20.00 C ATOM 633 O ARG A 445 -7.586 -8.735 -2.530 1.00 20.00 O ATOM 634 CB ARG A 445 -10.523 -8.397 -2.670 1.00 20.00 C ATOM 635 CG ARG A 445 -10.761 -8.557 -4.180 1.00 20.00 C ATOM 636 CD ARG A 445 -11.720 -7.498 -4.742 1.00 20.00 C ATOM 637 NE ARG A 445 -11.582 -7.358 -6.208 1.00 20.00 N ATOM 638 CZ ARG A 445 -11.285 -6.267 -6.893 1.00 20.00 C ATOM 639 NH1 ARG A 445 -10.962 -5.136 -6.339 1.00 20.00 N ATOM 640 NH2 ARG A 445 -11.304 -6.308 -8.192 1.00 20.00 N ATOM 0 H ARG A 445 -9.875 -8.444 -0.276 1.00 20.00 H new ATOM 0 HA ARG A 445 -10.255 -10.517 -2.338 1.00 20.00 H new ATOM 0 HB2 ARG A 445 -11.484 -8.266 -2.173 1.00 20.00 H new ATOM 0 HB3 ARG A 445 -9.948 -7.487 -2.497 1.00 20.00 H new ATOM 0 HG2 ARG A 445 -9.807 -8.492 -4.703 1.00 20.00 H new ATOM 0 HG3 ARG A 445 -11.166 -9.550 -4.377 1.00 20.00 H new ATOM 0 HD2 ARG A 445 -12.747 -7.770 -4.497 1.00 20.00 H new ATOM 0 HD3 ARG A 445 -11.523 -6.538 -4.265 1.00 20.00 H new ATOM 0 HE ARG A 445 -11.734 -8.205 -6.756 1.00 20.00 H new ATOM 0 HH11 ARG A 445 -10.928 -5.057 -5.323 1.00 20.00 H new ATOM 0 HH12 ARG A 445 -10.743 -4.327 -6.921 1.00 20.00 H new ATOM 0 HH21 ARG A 445 -11.546 -7.175 -8.671 1.00 20.00 H new ATOM 0 HH22 ARG A 445 -11.077 -5.473 -8.732 1.00 20.00 H new ATOM 654 N ILE A 446 -7.936 -10.917 -2.923 1.00 20.00 N ATOM 655 CA ILE A 446 -6.681 -11.147 -3.674 1.00 20.00 C ATOM 656 C ILE A 446 -6.773 -10.557 -5.099 1.00 20.00 C ATOM 657 O ILE A 446 -5.764 -10.225 -5.718 1.00 20.00 O ATOM 658 CB ILE A 446 -6.317 -12.654 -3.641 1.00 20.00 C ATOM 659 CG1 ILE A 446 -6.026 -13.156 -2.205 1.00 20.00 C ATOM 660 CG2 ILE A 446 -5.138 -13.025 -4.559 1.00 20.00 C ATOM 661 CD1 ILE A 446 -4.853 -12.477 -1.481 1.00 20.00 C ATOM 0 H ILE A 446 -8.478 -11.767 -2.767 1.00 20.00 H new ATOM 0 HA ILE A 446 -5.860 -10.616 -3.193 1.00 20.00 H new ATOM 0 HB ILE A 446 -7.205 -13.157 -4.024 1.00 20.00 H new ATOM 0 HG12 ILE A 446 -6.926 -13.021 -1.604 1.00 20.00 H new ATOM 0 HG13 ILE A 446 -5.830 -14.227 -2.248 1.00 20.00 H new ATOM 0 HG21 ILE A 446 -4.941 -14.094 -4.484 1.00 20.00 H new ATOM 0 HG22 ILE A 446 -5.387 -12.774 -5.590 1.00 20.00 H new ATOM 0 HG23 ILE A 446 -4.251 -12.470 -4.254 1.00 20.00 H new ATOM 0 HD11 ILE A 446 -4.742 -12.907 -0.486 1.00 20.00 H new ATOM 0 HD12 ILE A 446 -3.936 -12.633 -2.048 1.00 20.00 H new ATOM 0 HD13 ILE A 446 -5.048 -11.408 -1.395 1.00 20.00 H new ATOM 673 N ASP A 447 -7.984 -10.331 -5.609 1.00 20.00 N ATOM 674 CA ASP A 447 -8.227 -9.684 -6.900 1.00 20.00 C ATOM 675 C ASP A 447 -8.044 -8.146 -6.865 1.00 20.00 C ATOM 676 O ASP A 447 -8.130 -7.514 -7.919 1.00 20.00 O ATOM 677 CB ASP A 447 -9.613 -10.141 -7.390 1.00 20.00 C ATOM 678 CG ASP A 447 -9.977 -9.669 -8.806 1.00 20.00 C ATOM 679 OD1 ASP A 447 -9.295 -10.072 -9.780 1.00 20.00 O ATOM 680 OD2 ASP A 447 -10.992 -8.944 -8.947 1.00 20.00 O ATOM 0 H ASP A 447 -8.842 -10.598 -5.126 1.00 20.00 H new ATOM 0 HA ASP A 447 -7.470 -9.996 -7.620 1.00 20.00 H new ATOM 0 HB2 ASP A 447 -9.653 -11.230 -7.362 1.00 20.00 H new ATOM 0 HB3 ASP A 447 -10.369 -9.777 -6.694 1.00 20.00 H new ATOM 685 N CYS A 448 -7.769 -7.506 -5.710 1.00 20.00 N ATOM 686 CA CYS A 448 -7.584 -6.074 -5.615 1.00 20.00 C ATOM 687 C CYS A 448 -6.178 -5.670 -6.061 1.00 20.00 C ATOM 688 O CYS A 448 -5.173 -6.106 -5.494 1.00 20.00 O ATOM 689 CB CYS A 448 -7.828 -5.675 -4.186 1.00 20.00 C ATOM 690 SG CYS A 448 -9.452 -5.016 -3.708 1.00 20.00 S ATOM 0 H CYS A 448 -7.672 -7.989 -4.817 1.00 20.00 H new ATOM 0 HA CYS A 448 -8.284 -5.562 -6.275 1.00 20.00 H new ATOM 0 HB2 CYS A 448 -7.634 -6.549 -3.565 1.00 20.00 H new ATOM 0 HB3 CYS A 448 -7.081 -4.926 -3.924 1.00 20.00 H new ATOM 0 HG CYS A 448 -9.301 -4.129 -2.769 1.00 20.00 H new ATOM 695 N LEU A 449 -6.138 -4.740 -7.008 1.00 20.00 N ATOM 696 CA LEU A 449 -4.933 -4.051 -7.470 1.00 20.00 C ATOM 697 C LEU A 449 -4.677 -2.759 -6.668 1.00 20.00 C ATOM 698 O LEU A 449 -3.772 -1.987 -6.993 1.00 20.00 O ATOM 699 CB LEU A 449 -5.049 -3.796 -8.987 1.00 20.00 C ATOM 700 CG LEU A 449 -5.405 -5.058 -9.806 1.00 20.00 C ATOM 701 CD1 LEU A 449 -6.909 -5.177 -10.090 1.00 20.00 C ATOM 702 CD2 LEU A 449 -4.683 -5.036 -11.154 1.00 20.00 C ATOM 0 H LEU A 449 -6.978 -4.431 -7.497 1.00 20.00 H new ATOM 0 HA LEU A 449 -4.062 -4.683 -7.295 1.00 20.00 H new ATOM 0 HB2 LEU A 449 -5.809 -3.035 -9.161 1.00 20.00 H new ATOM 0 HB3 LEU A 449 -4.104 -3.392 -9.351 1.00 20.00 H new ATOM 0 HG LEU A 449 -5.092 -5.908 -9.200 1.00 20.00 H new ATOM 0 HD11 LEU A 449 -7.100 -6.081 -10.668 1.00 20.00 H new ATOM 0 HD12 LEU A 449 -7.454 -5.227 -9.148 1.00 20.00 H new ATOM 0 HD13 LEU A 449 -7.242 -4.307 -10.657 1.00 20.00 H new ATOM 0 HD21 LEU A 449 -4.943 -5.930 -11.720 1.00 20.00 H new ATOM 0 HD22 LEU A 449 -4.985 -4.151 -11.714 1.00 20.00 H new ATOM 0 HD23 LEU A 449 -3.606 -5.011 -10.989 1.00 20.00 H new ATOM 714 N PHE A 450 -5.492 -2.513 -5.636 1.00 20.00 N ATOM 715 CA PHE A 450 -5.570 -1.277 -4.870 1.00 20.00 C ATOM 716 C PHE A 450 -4.490 -1.278 -3.783 1.00 20.00 C ATOM 717 O PHE A 450 -3.945 -2.326 -3.422 1.00 20.00 O ATOM 718 CB PHE A 450 -6.986 -1.221 -4.257 1.00 20.00 C ATOM 719 CG PHE A 450 -8.172 -1.066 -5.209 1.00 20.00 C ATOM 720 CD1 PHE A 450 -8.019 -0.890 -6.602 1.00 20.00 C ATOM 721 CD2 PHE A 450 -9.472 -1.090 -4.668 1.00 20.00 C ATOM 722 CE1 PHE A 450 -9.145 -0.741 -7.433 1.00 20.00 C ATOM 723 CE2 PHE A 450 -10.599 -0.941 -5.497 1.00 20.00 C ATOM 724 CZ PHE A 450 -10.437 -0.764 -6.881 1.00 20.00 C ATOM 0 H PHE A 450 -6.150 -3.216 -5.299 1.00 20.00 H new ATOM 0 HA PHE A 450 -5.399 -0.401 -5.495 1.00 20.00 H new ATOM 0 HB2 PHE A 450 -7.137 -2.134 -3.680 1.00 20.00 H new ATOM 0 HB3 PHE A 450 -7.012 -0.390 -3.552 1.00 20.00 H new ATOM 0 HD1 PHE A 450 -7.029 -0.870 -7.033 1.00 20.00 H new ATOM 0 HD2 PHE A 450 -9.605 -1.224 -3.605 1.00 20.00 H new ATOM 0 HE1 PHE A 450 -9.016 -0.609 -8.497 1.00 20.00 H new ATOM 0 HE2 PHE A 450 -11.590 -0.963 -5.069 1.00 20.00 H new ATOM 0 HZ PHE A 450 -11.301 -0.646 -7.518 1.00 20.00 H new ATOM 734 N GLY A 451 -4.205 -0.110 -3.216 1.00 20.00 N ATOM 735 CA GLY A 451 -3.466 -0.005 -1.966 1.00 20.00 C ATOM 736 C GLY A 451 -4.253 -0.637 -0.816 1.00 20.00 C ATOM 737 O GLY A 451 -5.426 -0.324 -0.603 1.00 20.00 O ATOM 0 H GLY A 451 -4.480 0.789 -3.611 1.00 20.00 H new ATOM 0 HA2 GLY A 451 -2.500 -0.499 -2.067 1.00 20.00 H new ATOM 0 HA3 GLY A 451 -3.266 1.043 -1.743 1.00 20.00 H new ATOM 741 N HIS A 452 -3.595 -1.521 -0.074 1.00 20.00 N ATOM 742 CA HIS A 452 -4.058 -2.134 1.166 1.00 20.00 C ATOM 743 C HIS A 452 -3.016 -1.844 2.280 1.00 20.00 C ATOM 744 O HIS A 452 -1.813 -1.868 2.001 1.00 20.00 O ATOM 745 CB HIS A 452 -4.276 -3.645 0.964 1.00 20.00 C ATOM 746 CG HIS A 452 -5.300 -4.059 -0.083 1.00 20.00 C ATOM 747 ND1 HIS A 452 -5.141 -5.046 -1.040 1.00 20.00 N ATOM 748 CD2 HIS A 452 -6.620 -3.698 -0.118 1.00 20.00 C ATOM 749 CE1 HIS A 452 -6.328 -5.306 -1.627 1.00 20.00 C ATOM 750 NE2 HIS A 452 -7.256 -4.482 -1.094 1.00 20.00 N ATOM 0 H HIS A 452 -2.666 -1.849 -0.339 1.00 20.00 H new ATOM 0 HA HIS A 452 -5.017 -1.710 1.465 1.00 20.00 H new ATOM 0 HB2 HIS A 452 -3.319 -4.093 0.698 1.00 20.00 H new ATOM 0 HB3 HIS A 452 -4.575 -4.075 1.920 1.00 20.00 H new ATOM 0 HD1 HIS A 452 -4.260 -5.507 -1.267 1.00 20.00 H new ATOM 0 HD2 HIS A 452 -7.089 -2.944 0.496 1.00 20.00 H new ATOM 0 HE1 HIS A 452 -6.506 -6.047 -2.393 1.00 20.00 H new ATOM 758 N PRO A 453 -3.416 -1.545 3.533 1.00 20.00 N ATOM 759 CA PRO A 453 -2.483 -1.115 4.584 1.00 20.00 C ATOM 760 C PRO A 453 -1.404 -2.142 4.977 1.00 20.00 C ATOM 761 O PRO A 453 -1.630 -3.355 4.942 1.00 20.00 O ATOM 762 CB PRO A 453 -3.352 -0.752 5.794 1.00 20.00 C ATOM 763 CG PRO A 453 -4.696 -0.395 5.168 1.00 20.00 C ATOM 764 CD PRO A 453 -4.786 -1.347 3.981 1.00 20.00 C ATOM 0 HA PRO A 453 -1.901 -0.276 4.202 1.00 20.00 H new ATOM 0 HB2 PRO A 453 -3.441 -1.586 6.490 1.00 20.00 H new ATOM 0 HB3 PRO A 453 -2.934 0.085 6.353 1.00 20.00 H new ATOM 0 HG2 PRO A 453 -5.519 -0.543 5.867 1.00 20.00 H new ATOM 0 HG3 PRO A 453 -4.730 0.648 4.852 1.00 20.00 H new ATOM 0 HD2 PRO A 453 -5.244 -2.293 4.271 1.00 20.00 H new ATOM 0 HD3 PRO A 453 -5.401 -0.925 3.186 1.00 20.00 H new ATOM 772 N ILE A 454 -0.255 -1.636 5.440 1.00 20.00 N ATOM 773 CA ILE A 454 0.840 -2.380 6.076 1.00 20.00 C ATOM 774 C ILE A 454 1.149 -1.689 7.409 1.00 20.00 C ATOM 775 O ILE A 454 1.288 -0.463 7.440 1.00 20.00 O ATOM 776 CB ILE A 454 2.095 -2.380 5.170 1.00 20.00 C ATOM 777 CG1 ILE A 454 1.814 -2.982 3.777 1.00 20.00 C ATOM 778 CG2 ILE A 454 3.261 -3.127 5.847 1.00 20.00 C ATOM 779 CD1 ILE A 454 2.981 -2.750 2.816 1.00 20.00 C ATOM 0 H ILE A 454 -0.052 -0.638 5.377 1.00 20.00 H new ATOM 0 HA ILE A 454 0.551 -3.418 6.237 1.00 20.00 H new ATOM 0 HB ILE A 454 2.377 -1.337 5.025 1.00 20.00 H new ATOM 0 HG12 ILE A 454 1.629 -4.052 3.873 1.00 20.00 H new ATOM 0 HG13 ILE A 454 0.908 -2.538 3.364 1.00 20.00 H new ATOM 0 HG21 ILE A 454 4.131 -3.114 5.191 1.00 20.00 H new ATOM 0 HG22 ILE A 454 3.509 -2.637 6.789 1.00 20.00 H new ATOM 0 HG23 ILE A 454 2.968 -4.159 6.040 1.00 20.00 H new ATOM 0 HD11 ILE A 454 2.746 -3.188 1.846 1.00 20.00 H new ATOM 0 HD12 ILE A 454 3.149 -1.679 2.700 1.00 20.00 H new ATOM 0 HD13 ILE A 454 3.881 -3.217 3.217 1.00 20.00 H new ATOM 791 N ASN A 455 1.285 -2.452 8.496 1.00 20.00 N ATOM 792 CA ASN A 455 1.658 -1.942 9.819 1.00 20.00 C ATOM 793 C ASN A 455 3.166 -1.600 9.869 1.00 20.00 C ATOM 794 O ASN A 455 3.990 -2.378 10.354 1.00 20.00 O ATOM 795 CB ASN A 455 1.217 -2.966 10.884 1.00 20.00 C ATOM 796 CG ASN A 455 1.431 -2.480 12.313 1.00 20.00 C ATOM 797 OD1 ASN A 455 1.688 -1.315 12.585 1.00 20.00 O ATOM 798 ND2 ASN A 455 1.302 -3.359 13.282 1.00 20.00 N ATOM 0 H ASN A 455 1.136 -3.461 8.482 1.00 20.00 H new ATOM 0 HA ASN A 455 1.143 -1.005 10.031 1.00 20.00 H new ATOM 0 HB2 ASN A 455 0.162 -3.197 10.741 1.00 20.00 H new ATOM 0 HB3 ASN A 455 1.770 -3.894 10.737 1.00 20.00 H new ATOM 0 HD21 ASN A 455 1.416 -3.068 14.253 1.00 20.00 H new ATOM 0 HD22 ASN A 455 1.088 -4.332 13.063 1.00 20.00 H new ATOM 805 N GLU A 456 3.529 -0.449 9.302 1.00 20.00 N ATOM 806 CA GLU A 456 4.902 0.028 9.104 1.00 20.00 C ATOM 807 C GLU A 456 4.931 1.563 9.050 1.00 20.00 C ATOM 808 O GLU A 456 3.941 2.185 8.668 1.00 20.00 O ATOM 809 CB GLU A 456 5.423 -0.543 7.775 1.00 20.00 C ATOM 810 CG GLU A 456 6.895 -0.248 7.445 1.00 20.00 C ATOM 811 CD GLU A 456 7.854 -0.706 8.561 1.00 20.00 C ATOM 812 OE1 GLU A 456 8.050 0.054 9.540 1.00 20.00 O ATOM 813 OE2 GLU A 456 8.414 -1.826 8.470 1.00 20.00 O ATOM 0 H GLU A 456 2.837 0.212 8.949 1.00 20.00 H new ATOM 0 HA GLU A 456 5.529 -0.300 9.933 1.00 20.00 H new ATOM 0 HB2 GLU A 456 5.284 -1.624 7.788 1.00 20.00 H new ATOM 0 HB3 GLU A 456 4.805 -0.151 6.967 1.00 20.00 H new ATOM 0 HG2 GLU A 456 7.162 -0.747 6.514 1.00 20.00 H new ATOM 0 HG3 GLU A 456 7.019 0.822 7.280 1.00 20.00 H new ATOM 820 N ASP A 457 6.064 2.177 9.386 1.00 20.00 N ATOM 821 CA ASP A 457 6.280 3.628 9.319 1.00 20.00 C ATOM 822 C ASP A 457 7.004 4.040 8.021 1.00 20.00 C ATOM 823 O ASP A 457 8.118 3.580 7.750 1.00 20.00 O ATOM 824 CB ASP A 457 7.047 4.073 10.574 1.00 20.00 C ATOM 825 CG ASP A 457 7.281 5.593 10.616 1.00 20.00 C ATOM 826 OD1 ASP A 457 6.297 6.361 10.494 1.00 20.00 O ATOM 827 OD2 ASP A 457 8.443 6.022 10.816 1.00 20.00 O ATOM 0 H ASP A 457 6.882 1.668 9.722 1.00 20.00 H new ATOM 0 HA ASP A 457 5.315 4.135 9.295 1.00 20.00 H new ATOM 0 HB2 ASP A 457 6.491 3.770 11.461 1.00 20.00 H new ATOM 0 HB3 ASP A 457 8.008 3.560 10.609 1.00 20.00 H new ATOM 832 N CYS A 458 6.373 4.910 7.221 1.00 20.00 N ATOM 833 CA CYS A 458 6.902 5.375 5.935 1.00 20.00 C ATOM 834 C CYS A 458 8.288 6.050 6.032 1.00 20.00 C ATOM 835 O CYS A 458 8.604 6.770 6.986 1.00 20.00 O ATOM 836 CB CYS A 458 5.869 6.282 5.256 1.00 20.00 C ATOM 837 SG CYS A 458 6.390 6.671 3.537 1.00 20.00 S ATOM 0 H CYS A 458 5.467 5.316 7.454 1.00 20.00 H new ATOM 0 HA CYS A 458 7.072 4.492 5.318 1.00 20.00 H new ATOM 0 HB2 CYS A 458 4.896 5.791 5.246 1.00 20.00 H new ATOM 0 HB3 CYS A 458 5.755 7.204 5.826 1.00 20.00 H new ATOM 0 HG CYS A 458 5.365 7.092 2.858 1.00 20.00 H new ATOM 842 N ARG A 459 9.095 5.851 4.982 1.00 20.00 N ATOM 843 CA ARG A 459 10.437 6.433 4.800 1.00 20.00 C ATOM 844 C ARG A 459 10.414 7.949 4.557 1.00 20.00 C ATOM 845 O ARG A 459 11.453 8.597 4.698 1.00 20.00 O ATOM 846 CB ARG A 459 11.155 5.726 3.634 1.00 20.00 C ATOM 847 CG ARG A 459 11.366 4.222 3.876 1.00 20.00 C ATOM 848 CD ARG A 459 12.147 3.557 2.734 1.00 20.00 C ATOM 849 NE ARG A 459 13.548 4.026 2.669 1.00 20.00 N ATOM 850 CZ ARG A 459 14.413 3.801 1.695 1.00 20.00 C ATOM 851 NH1 ARG A 459 14.107 3.099 0.641 1.00 20.00 N ATOM 852 NH2 ARG A 459 15.621 4.286 1.764 1.00 20.00 N ATOM 0 H ARG A 459 8.822 5.255 4.201 1.00 20.00 H new ATOM 0 HA ARG A 459 10.979 6.275 5.733 1.00 20.00 H new ATOM 0 HB2 ARG A 459 10.574 5.863 2.722 1.00 20.00 H new ATOM 0 HB3 ARG A 459 12.123 6.200 3.470 1.00 20.00 H new ATOM 0 HG2 ARG A 459 11.903 4.078 4.814 1.00 20.00 H new ATOM 0 HG3 ARG A 459 10.398 3.733 3.985 1.00 20.00 H new ATOM 0 HD2 ARG A 459 12.133 2.475 2.868 1.00 20.00 H new ATOM 0 HD3 ARG A 459 11.651 3.767 1.786 1.00 20.00 H new ATOM 0 HE ARG A 459 13.881 4.581 3.457 1.00 20.00 H new ATOM 0 HH11 ARG A 459 13.172 2.701 0.547 1.00 20.00 H new ATOM 0 HH12 ARG A 459 14.802 2.947 -0.090 1.00 20.00 H new ATOM 0 HH21 ARG A 459 15.902 4.842 2.572 1.00 20.00 H new ATOM 0 HH22 ARG A 459 16.285 4.110 1.010 1.00 20.00 H new ATOM 866 N PHE A 460 9.254 8.514 4.204 1.00 20.00 N ATOM 867 CA PHE A 460 9.079 9.937 3.877 1.00 20.00 C ATOM 868 C PHE A 460 8.076 10.664 4.790 1.00 20.00 C ATOM 869 O PHE A 460 8.198 11.878 4.975 1.00 20.00 O ATOM 870 CB PHE A 460 8.677 10.052 2.399 1.00 20.00 C ATOM 871 CG PHE A 460 9.822 9.856 1.425 1.00 20.00 C ATOM 872 CD1 PHE A 460 10.243 8.562 1.063 1.00 20.00 C ATOM 873 CD2 PHE A 460 10.466 10.981 0.878 1.00 20.00 C ATOM 874 CE1 PHE A 460 11.317 8.394 0.170 1.00 20.00 C ATOM 875 CE2 PHE A 460 11.539 10.814 -0.017 1.00 20.00 C ATOM 876 CZ PHE A 460 11.966 9.520 -0.369 1.00 20.00 C ATOM 0 H PHE A 460 8.387 7.981 4.135 1.00 20.00 H new ATOM 0 HA PHE A 460 10.030 10.440 4.052 1.00 20.00 H new ATOM 0 HB2 PHE A 460 7.904 9.314 2.186 1.00 20.00 H new ATOM 0 HB3 PHE A 460 8.235 11.034 2.230 1.00 20.00 H new ATOM 0 HD1 PHE A 460 9.741 7.697 1.471 1.00 20.00 H new ATOM 0 HD2 PHE A 460 10.136 11.974 1.145 1.00 20.00 H new ATOM 0 HE1 PHE A 460 11.643 7.401 -0.102 1.00 20.00 H new ATOM 0 HE2 PHE A 460 12.035 11.678 -0.434 1.00 20.00 H new ATOM 0 HZ PHE A 460 12.792 9.391 -1.053 1.00 20.00 H new ATOM 886 N GLY A 461 7.102 9.962 5.383 1.00 20.00 N ATOM 887 CA GLY A 461 6.178 10.505 6.379 1.00 20.00 C ATOM 888 C GLY A 461 5.339 11.667 5.842 1.00 20.00 C ATOM 889 O GLY A 461 4.482 11.481 4.981 1.00 20.00 O ATOM 0 H GLY A 461 6.933 8.978 5.177 1.00 20.00 H new ATOM 0 HA2 GLY A 461 5.514 9.712 6.721 1.00 20.00 H new ATOM 0 HA3 GLY A 461 6.745 10.843 7.247 1.00 20.00 H new ATOM 893 N VAL A 462 5.605 12.874 6.345 1.00 20.00 N ATOM 894 CA VAL A 462 4.925 14.125 5.935 1.00 20.00 C ATOM 895 C VAL A 462 5.422 14.695 4.598 1.00 20.00 C ATOM 896 O VAL A 462 4.738 15.507 3.971 1.00 20.00 O ATOM 897 CB VAL A 462 5.004 15.207 7.035 1.00 20.00 C ATOM 898 CG1 VAL A 462 4.362 14.726 8.342 1.00 20.00 C ATOM 899 CG2 VAL A 462 6.440 15.656 7.340 1.00 20.00 C ATOM 0 H VAL A 462 6.313 13.023 7.065 1.00 20.00 H new ATOM 0 HA VAL A 462 3.883 13.841 5.787 1.00 20.00 H new ATOM 0 HB VAL A 462 4.454 16.059 6.635 1.00 20.00 H new ATOM 0 HG11 VAL A 462 4.435 15.512 9.094 1.00 20.00 H new ATOM 0 HG12 VAL A 462 3.313 14.489 8.166 1.00 20.00 H new ATOM 0 HG13 VAL A 462 4.881 13.835 8.696 1.00 20.00 H new ATOM 0 HG21 VAL A 462 6.425 16.417 8.121 1.00 20.00 H new ATOM 0 HG22 VAL A 462 7.025 14.800 7.678 1.00 20.00 H new ATOM 0 HG23 VAL A 462 6.891 16.070 6.438 1.00 20.00 H new ATOM 909 N ASN A 463 6.591 14.245 4.136 1.00 20.00 N ATOM 910 CA ASN A 463 7.193 14.634 2.852 1.00 20.00 C ATOM 911 C ASN A 463 6.613 13.820 1.677 1.00 20.00 C ATOM 912 O ASN A 463 6.651 14.263 0.528 1.00 20.00 O ATOM 913 CB ASN A 463 8.723 14.462 2.930 1.00 20.00 C ATOM 914 CG ASN A 463 9.358 15.170 4.116 1.00 20.00 C ATOM 915 OD1 ASN A 463 9.666 16.353 4.073 1.00 20.00 O ATOM 916 ND2 ASN A 463 9.565 14.473 5.212 1.00 20.00 N ATOM 0 H ASN A 463 7.164 13.581 4.657 1.00 20.00 H new ATOM 0 HA ASN A 463 6.953 15.681 2.664 1.00 20.00 H new ATOM 0 HB2 ASN A 463 8.958 13.399 2.984 1.00 20.00 H new ATOM 0 HB3 ASN A 463 9.170 14.840 2.011 1.00 20.00 H new ATOM 0 HD21 ASN A 463 9.983 14.919 6.029 1.00 20.00 H new ATOM 0 HD22 ASN A 463 9.307 13.487 5.245 1.00 20.00 H new ATOM 923 N CYS A 464 6.062 12.641 1.978 1.00 20.00 N ATOM 924 CA CYS A 464 5.413 11.718 1.056 1.00 20.00 C ATOM 925 C CYS A 464 4.133 12.331 0.456 1.00 20.00 C ATOM 926 O CYS A 464 3.337 12.945 1.176 1.00 20.00 O ATOM 927 CB CYS A 464 5.100 10.454 1.866 1.00 20.00 C ATOM 928 SG CYS A 464 4.971 8.972 0.806 1.00 20.00 S ATOM 0 H CYS A 464 6.060 12.287 2.935 1.00 20.00 H new ATOM 0 HA CYS A 464 6.060 11.491 0.209 1.00 20.00 H new ATOM 0 HB2 CYS A 464 5.880 10.299 2.611 1.00 20.00 H new ATOM 0 HB3 CYS A 464 4.165 10.594 2.408 1.00 20.00 H new ATOM 0 HG CYS A 464 4.266 8.064 1.413 1.00 20.00 H new ATOM 933 N LYS A 465 3.935 12.183 -0.859 1.00 20.00 N ATOM 934 CA LYS A 465 2.762 12.701 -1.600 1.00 20.00 C ATOM 935 C LYS A 465 2.039 11.628 -2.431 1.00 20.00 C ATOM 936 O LYS A 465 1.089 11.941 -3.148 1.00 20.00 O ATOM 937 CB LYS A 465 3.170 13.935 -2.436 1.00 20.00 C ATOM 938 CG LYS A 465 3.678 15.119 -1.589 1.00 20.00 C ATOM 939 CD LYS A 465 2.569 15.876 -0.834 1.00 20.00 C ATOM 940 CE LYS A 465 3.130 16.578 0.412 1.00 20.00 C ATOM 941 NZ LYS A 465 3.032 15.709 1.613 1.00 20.00 N ATOM 0 H LYS A 465 4.597 11.689 -1.458 1.00 20.00 H new ATOM 0 HA LYS A 465 2.021 13.016 -0.865 1.00 20.00 H new ATOM 0 HB2 LYS A 465 3.949 13.644 -3.141 1.00 20.00 H new ATOM 0 HB3 LYS A 465 2.313 14.263 -3.025 1.00 20.00 H new ATOM 0 HG2 LYS A 465 4.406 14.749 -0.867 1.00 20.00 H new ATOM 0 HG3 LYS A 465 4.202 15.819 -2.240 1.00 20.00 H new ATOM 0 HD2 LYS A 465 2.112 16.612 -1.495 1.00 20.00 H new ATOM 0 HD3 LYS A 465 1.784 15.179 -0.540 1.00 20.00 H new ATOM 0 HE2 LYS A 465 4.172 16.849 0.241 1.00 20.00 H new ATOM 0 HE3 LYS A 465 2.584 17.505 0.586 1.00 20.00 H new ATOM 0 HZ1 LYS A 465 3.686 16.053 2.345 1.00 20.00 H new ATOM 0 HZ2 LYS A 465 2.059 15.732 1.979 1.00 20.00 H new ATOM 0 HZ3 LYS A 465 3.283 14.733 1.357 1.00 20.00 H new ATOM 955 N ASN A 466 2.454 10.363 -2.322 1.00 20.00 N ATOM 956 CA ASN A 466 1.784 9.221 -2.949 1.00 20.00 C ATOM 957 C ASN A 466 0.582 8.769 -2.094 1.00 20.00 C ATOM 958 O ASN A 466 0.737 8.346 -0.946 1.00 20.00 O ATOM 959 CB ASN A 466 2.827 8.111 -3.192 1.00 20.00 C ATOM 960 CG ASN A 466 2.248 6.838 -3.800 1.00 20.00 C ATOM 961 OD1 ASN A 466 1.056 6.694 -4.021 1.00 20.00 O ATOM 962 ND2 ASN A 466 3.078 5.865 -4.092 1.00 20.00 N ATOM 0 H ASN A 466 3.280 10.099 -1.785 1.00 20.00 H new ATOM 0 HA ASN A 466 1.367 9.495 -3.918 1.00 20.00 H new ATOM 0 HB2 ASN A 466 3.605 8.496 -3.852 1.00 20.00 H new ATOM 0 HB3 ASN A 466 3.306 7.864 -2.245 1.00 20.00 H new ATOM 0 HD21 ASN A 466 2.725 4.999 -4.499 1.00 20.00 H new ATOM 0 HD22 ASN A 466 4.076 5.975 -3.912 1.00 20.00 H new ATOM 969 N ILE A 467 -0.622 8.850 -2.666 1.00 20.00 N ATOM 970 CA ILE A 467 -1.900 8.594 -1.977 1.00 20.00 C ATOM 971 C ILE A 467 -2.101 7.109 -1.617 1.00 20.00 C ATOM 972 O ILE A 467 -2.804 6.773 -0.663 1.00 20.00 O ATOM 973 CB ILE A 467 -3.078 9.096 -2.854 1.00 20.00 C ATOM 974 CG1 ILE A 467 -2.827 10.426 -3.605 1.00 20.00 C ATOM 975 CG2 ILE A 467 -4.348 9.219 -2.004 1.00 20.00 C ATOM 976 CD1 ILE A 467 -2.446 11.613 -2.715 1.00 20.00 C ATOM 0 H ILE A 467 -0.744 9.102 -3.647 1.00 20.00 H new ATOM 0 HA ILE A 467 -1.873 9.143 -1.036 1.00 20.00 H new ATOM 0 HB ILE A 467 -3.192 8.341 -3.632 1.00 20.00 H new ATOM 0 HG12 ILE A 467 -2.032 10.269 -4.334 1.00 20.00 H new ATOM 0 HG13 ILE A 467 -3.726 10.685 -4.164 1.00 20.00 H new ATOM 0 HG21 ILE A 467 -5.170 9.572 -2.627 1.00 20.00 H new ATOM 0 HG22 ILE A 467 -4.602 8.245 -1.586 1.00 20.00 H new ATOM 0 HG23 ILE A 467 -4.176 9.928 -1.194 1.00 20.00 H new ATOM 0 HD11 ILE A 467 -2.291 12.497 -3.334 1.00 20.00 H new ATOM 0 HD12 ILE A 467 -3.248 11.805 -2.002 1.00 20.00 H new ATOM 0 HD13 ILE A 467 -1.528 11.383 -2.175 1.00 20.00 H new ATOM 988 N TYR A 468 -1.466 6.217 -2.373 1.00 20.00 N ATOM 989 CA TYR A 468 -1.605 4.754 -2.345 1.00 20.00 C ATOM 990 C TYR A 468 -0.274 4.059 -2.000 1.00 20.00 C ATOM 991 O TYR A 468 -0.003 2.926 -2.400 1.00 20.00 O ATOM 992 CB TYR A 468 -2.242 4.280 -3.664 1.00 20.00 C ATOM 993 CG TYR A 468 -1.546 4.788 -4.918 1.00 20.00 C ATOM 994 CD1 TYR A 468 -1.880 6.056 -5.439 1.00 20.00 C ATOM 995 CD2 TYR A 468 -0.561 4.010 -5.555 1.00 20.00 C ATOM 996 CE1 TYR A 468 -1.223 6.559 -6.577 1.00 20.00 C ATOM 997 CE2 TYR A 468 0.096 4.504 -6.700 1.00 20.00 C ATOM 998 CZ TYR A 468 -0.229 5.781 -7.211 1.00 20.00 C ATOM 999 OH TYR A 468 0.411 6.247 -8.319 1.00 20.00 O ATOM 0 H TYR A 468 -0.789 6.515 -3.075 1.00 20.00 H new ATOM 0 HA TYR A 468 -2.278 4.462 -1.539 1.00 20.00 H new ATOM 0 HB2 TYR A 468 -2.244 3.190 -3.681 1.00 20.00 H new ATOM 0 HB3 TYR A 468 -3.283 4.601 -3.686 1.00 20.00 H new ATOM 0 HD1 TYR A 468 -2.647 6.646 -4.960 1.00 20.00 H new ATOM 0 HD2 TYR A 468 -0.309 3.034 -5.166 1.00 20.00 H new ATOM 0 HE1 TYR A 468 -1.477 7.535 -6.964 1.00 20.00 H new ATOM 0 HE2 TYR A 468 0.850 3.905 -7.188 1.00 20.00 H new ATOM 0 HH TYR A 468 1.064 5.583 -8.623 1.00 20.00 H new ATOM 1009 N CYS A 469 0.545 4.762 -1.218 1.00 20.00 N ATOM 1010 CA CYS A 469 1.737 4.288 -0.544 1.00 20.00 C ATOM 1011 C CYS A 469 1.325 3.462 0.689 1.00 20.00 C ATOM 1012 O CYS A 469 0.355 3.784 1.385 1.00 20.00 O ATOM 1013 CB CYS A 469 2.535 5.547 -0.220 1.00 20.00 C ATOM 1014 SG CYS A 469 4.019 5.208 0.791 1.00 20.00 S ATOM 0 H CYS A 469 0.373 5.750 -1.030 1.00 20.00 H new ATOM 0 HA CYS A 469 2.355 3.617 -1.141 1.00 20.00 H new ATOM 0 HB2 CYS A 469 2.837 6.029 -1.150 1.00 20.00 H new ATOM 0 HB3 CYS A 469 1.894 6.251 0.310 1.00 20.00 H new ATOM 0 HG CYS A 469 3.979 5.926 1.874 1.00 20.00 H new ATOM 1019 N LEU A 470 2.022 2.349 0.914 1.00 20.00 N ATOM 1020 CA LEU A 470 1.491 1.222 1.688 1.00 20.00 C ATOM 1021 C LEU A 470 1.876 1.241 3.168 1.00 20.00 C ATOM 1022 O LEU A 470 1.194 0.625 3.990 1.00 20.00 O ATOM 1023 CB LEU A 470 1.860 -0.085 0.968 1.00 20.00 C ATOM 1024 CG LEU A 470 1.447 -0.138 -0.517 1.00 20.00 C ATOM 1025 CD1 LEU A 470 1.806 -1.499 -1.107 1.00 20.00 C ATOM 1026 CD2 LEU A 470 -0.047 0.117 -0.703 1.00 20.00 C ATOM 0 H LEU A 470 2.969 2.201 0.567 1.00 20.00 H new ATOM 0 HA LEU A 470 0.405 1.310 1.724 1.00 20.00 H new ATOM 0 HB2 LEU A 470 2.938 -0.231 1.037 1.00 20.00 H new ATOM 0 HB3 LEU A 470 1.391 -0.918 1.492 1.00 20.00 H new ATOM 0 HG LEU A 470 1.990 0.651 -1.037 1.00 20.00 H new ATOM 0 HD11 LEU A 470 1.512 -1.530 -2.156 1.00 20.00 H new ATOM 0 HD12 LEU A 470 2.881 -1.658 -1.027 1.00 20.00 H new ATOM 0 HD13 LEU A 470 1.282 -2.282 -0.560 1.00 20.00 H new ATOM 0 HD21 LEU A 470 -0.295 0.071 -1.763 1.00 20.00 H new ATOM 0 HD22 LEU A 470 -0.615 -0.641 -0.164 1.00 20.00 H new ATOM 0 HD23 LEU A 470 -0.299 1.104 -0.314 1.00 20.00 H new ATOM 1038 N PHE A 471 2.879 2.028 3.540 1.00 20.00 N ATOM 1039 CA PHE A 471 3.255 2.266 4.936 1.00 20.00 C ATOM 1040 C PHE A 471 2.421 3.420 5.523 1.00 20.00 C ATOM 1041 O PHE A 471 1.937 4.281 4.786 1.00 20.00 O ATOM 1042 CB PHE A 471 4.765 2.534 5.012 1.00 20.00 C ATOM 1043 CG PHE A 471 5.682 1.515 4.341 1.00 20.00 C ATOM 1044 CD1 PHE A 471 5.360 0.143 4.303 1.00 20.00 C ATOM 1045 CD2 PHE A 471 6.889 1.952 3.759 1.00 20.00 C ATOM 1046 CE1 PHE A 471 6.241 -0.781 3.715 1.00 20.00 C ATOM 1047 CE2 PHE A 471 7.772 1.029 3.171 1.00 20.00 C ATOM 1048 CZ PHE A 471 7.451 -0.339 3.156 1.00 20.00 C ATOM 0 H PHE A 471 3.466 2.528 2.872 1.00 20.00 H new ATOM 0 HA PHE A 471 3.041 1.385 5.540 1.00 20.00 H new ATOM 0 HB2 PHE A 471 4.959 3.510 4.567 1.00 20.00 H new ATOM 0 HB3 PHE A 471 5.045 2.602 6.063 1.00 20.00 H new ATOM 0 HD1 PHE A 471 4.429 -0.201 4.729 1.00 20.00 H new ATOM 0 HD2 PHE A 471 7.137 3.003 3.765 1.00 20.00 H new ATOM 0 HE1 PHE A 471 5.987 -1.831 3.693 1.00 20.00 H new ATOM 0 HE2 PHE A 471 8.697 1.371 2.731 1.00 20.00 H new ATOM 0 HZ PHE A 471 8.134 -1.050 2.715 1.00 20.00 H new ATOM 1058 N ARG A 472 2.217 3.436 6.845 1.00 20.00 N ATOM 1059 CA ARG A 472 1.461 4.491 7.543 1.00 20.00 C ATOM 1060 C ARG A 472 2.249 5.806 7.579 1.00 20.00 C ATOM 1061 O ARG A 472 3.481 5.813 7.527 1.00 20.00 O ATOM 1062 CB ARG A 472 1.030 4.028 8.953 1.00 20.00 C ATOM 1063 CG ARG A 472 -0.364 3.378 9.025 1.00 20.00 C ATOM 1064 CD ARG A 472 -0.508 1.955 8.447 1.00 20.00 C ATOM 1065 NE ARG A 472 -0.399 1.861 6.973 1.00 20.00 N ATOM 1066 CZ ARG A 472 -1.215 2.379 6.070 1.00 20.00 C ATOM 1067 NH1 ARG A 472 -2.297 3.030 6.389 1.00 20.00 N ATOM 1068 NH2 ARG A 472 -0.970 2.238 4.803 1.00 20.00 N ATOM 0 H ARG A 472 2.574 2.712 7.469 1.00 20.00 H new ATOM 0 HA ARG A 472 0.548 4.684 6.979 1.00 20.00 H new ATOM 0 HB2 ARG A 472 1.766 3.316 9.326 1.00 20.00 H new ATOM 0 HB3 ARG A 472 1.049 4.887 9.623 1.00 20.00 H new ATOM 0 HG2 ARG A 472 -0.671 3.351 10.071 1.00 20.00 H new ATOM 0 HG3 ARG A 472 -1.067 4.027 8.503 1.00 20.00 H new ATOM 0 HD2 ARG A 472 0.257 1.319 8.893 1.00 20.00 H new ATOM 0 HD3 ARG A 472 -1.474 1.552 8.751 1.00 20.00 H new ATOM 0 HE ARG A 472 0.398 1.336 6.612 1.00 20.00 H new ATOM 0 HH11 ARG A 472 -2.545 3.158 7.370 1.00 20.00 H new ATOM 0 HH12 ARG A 472 -2.897 3.412 5.658 1.00 20.00 H new ATOM 0 HH21 ARG A 472 -0.143 1.725 4.497 1.00 20.00 H new ATOM 0 HH22 ARG A 472 -1.604 2.641 4.113 1.00 20.00 H new ATOM 1082 N HIS A 473 1.518 6.916 7.680 1.00 20.00 N ATOM 1083 CA HIS A 473 2.043 8.286 7.638 1.00 20.00 C ATOM 1084 C HIS A 473 1.624 9.081 8.898 1.00 20.00 C ATOM 1085 O HIS A 473 0.551 8.808 9.449 1.00 20.00 O ATOM 1086 CB HIS A 473 1.559 8.980 6.351 1.00 20.00 C ATOM 1087 CG HIS A 473 1.906 8.258 5.070 1.00 20.00 C ATOM 1088 ND1 HIS A 473 1.086 7.442 4.314 1.00 20.00 N ATOM 1089 CD2 HIS A 473 3.120 8.287 4.449 1.00 20.00 C ATOM 1090 CE1 HIS A 473 1.798 6.968 3.270 1.00 20.00 C ATOM 1091 NE2 HIS A 473 3.043 7.467 3.323 1.00 20.00 N ATOM 0 H HIS A 473 0.505 6.887 7.798 1.00 20.00 H new ATOM 0 HA HIS A 473 3.132 8.250 7.630 1.00 20.00 H new ATOM 0 HB2 HIS A 473 0.477 9.097 6.403 1.00 20.00 H new ATOM 0 HB3 HIS A 473 1.986 9.982 6.313 1.00 20.00 H new ATOM 0 HD1 HIS A 473 0.107 7.233 4.512 1.00 20.00 H new ATOM 0 HD2 HIS A 473 3.986 8.845 4.771 1.00 20.00 H new ATOM 0 HE1 HIS A 473 1.425 6.294 2.512 1.00 20.00 H new ATOM 1099 N PRO A 474 2.414 10.073 9.362 1.00 20.00 N ATOM 1100 CA PRO A 474 2.110 10.852 10.567 1.00 20.00 C ATOM 1101 C PRO A 474 0.805 11.670 10.492 1.00 20.00 C ATOM 1102 O PRO A 474 0.361 12.031 9.394 1.00 20.00 O ATOM 1103 CB PRO A 474 3.313 11.780 10.779 1.00 20.00 C ATOM 1104 CG PRO A 474 4.457 11.036 10.102 1.00 20.00 C ATOM 1105 CD PRO A 474 3.756 10.405 8.906 1.00 20.00 C ATOM 0 HA PRO A 474 1.945 10.166 11.398 1.00 20.00 H new ATOM 0 HB2 PRO A 474 3.149 12.759 10.330 1.00 20.00 H new ATOM 0 HB3 PRO A 474 3.512 11.945 11.838 1.00 20.00 H new ATOM 0 HG2 PRO A 474 5.259 11.709 9.797 1.00 20.00 H new ATOM 0 HG3 PRO A 474 4.902 10.287 10.757 1.00 20.00 H new ATOM 0 HD2 PRO A 474 3.723 11.096 8.063 1.00 20.00 H new ATOM 0 HD3 PRO A 474 4.285 9.514 8.568 1.00 20.00 H new ATOM 1113 N PRO A 475 0.197 12.018 11.643 1.00 20.00 N ATOM 1114 CA PRO A 475 -0.892 12.991 11.720 1.00 20.00 C ATOM 1115 C PRO A 475 -0.396 14.421 11.428 1.00 20.00 C ATOM 1116 O PRO A 475 0.783 14.740 11.599 1.00 20.00 O ATOM 1117 CB PRO A 475 -1.448 12.854 13.141 1.00 20.00 C ATOM 1118 CG PRO A 475 -0.219 12.447 13.954 1.00 20.00 C ATOM 1119 CD PRO A 475 0.563 11.566 12.980 1.00 20.00 C ATOM 0 HA PRO A 475 -1.661 12.802 10.971 1.00 20.00 H new ATOM 0 HB2 PRO A 475 -1.876 13.790 13.499 1.00 20.00 H new ATOM 0 HB3 PRO A 475 -2.235 12.102 13.196 1.00 20.00 H new ATOM 0 HG2 PRO A 475 0.362 13.314 14.269 1.00 20.00 H new ATOM 0 HG3 PRO A 475 -0.495 11.903 14.857 1.00 20.00 H new ATOM 0 HD2 PRO A 475 1.636 11.662 13.144 1.00 20.00 H new ATOM 0 HD3 PRO A 475 0.312 10.514 13.118 1.00 20.00 H new ATOM 1127 N GLY A 476 -1.305 15.298 10.985 1.00 20.00 N ATOM 1128 CA GLY A 476 -0.984 16.690 10.622 1.00 20.00 C ATOM 1129 C GLY A 476 -0.226 16.848 9.292 1.00 20.00 C ATOM 1130 O GLY A 476 0.363 17.903 9.038 1.00 20.00 O ATOM 0 H GLY A 476 -2.291 15.064 10.866 1.00 20.00 H new ATOM 0 HA2 GLY A 476 -1.911 17.260 10.566 1.00 20.00 H new ATOM 0 HA3 GLY A 476 -0.387 17.131 11.420 1.00 20.00 H new ATOM 1134 N ARG A 477 -0.231 15.808 8.445 1.00 20.00 N ATOM 1135 CA ARG A 477 0.313 15.805 7.076 1.00 20.00 C ATOM 1136 C ARG A 477 -0.620 16.532 6.095 1.00 20.00 C ATOM 1137 O ARG A 477 -1.716 16.963 6.460 1.00 20.00 O ATOM 1138 CB ARG A 477 0.610 14.350 6.651 1.00 20.00 C ATOM 1139 CG ARG A 477 -0.649 13.490 6.447 1.00 20.00 C ATOM 1140 CD ARG A 477 -0.265 12.055 6.073 1.00 20.00 C ATOM 1141 NE ARG A 477 -1.458 11.201 5.915 1.00 20.00 N ATOM 1142 CZ ARG A 477 -2.118 10.564 6.868 1.00 20.00 C ATOM 1143 NH1 ARG A 477 -1.775 10.630 8.122 1.00 20.00 N ATOM 1144 NH2 ARG A 477 -3.153 9.833 6.571 1.00 20.00 N ATOM 0 H ARG A 477 -0.631 14.907 8.705 1.00 20.00 H new ATOM 0 HA ARG A 477 1.249 16.363 7.057 1.00 20.00 H new ATOM 0 HB2 ARG A 477 1.183 14.363 5.724 1.00 20.00 H new ATOM 0 HB3 ARG A 477 1.239 13.882 7.408 1.00 20.00 H new ATOM 0 HG2 ARG A 477 -1.246 13.487 7.359 1.00 20.00 H new ATOM 0 HG3 ARG A 477 -1.269 13.923 5.662 1.00 20.00 H new ATOM 0 HD2 ARG A 477 0.306 12.060 5.145 1.00 20.00 H new ATOM 0 HD3 ARG A 477 0.383 11.638 6.844 1.00 20.00 H new ATOM 0 HE ARG A 477 -1.813 11.090 4.965 1.00 20.00 H new ATOM 0 HH11 ARG A 477 -0.969 11.189 8.402 1.00 20.00 H new ATOM 0 HH12 ARG A 477 -2.312 10.123 8.825 1.00 20.00 H new ATOM 0 HH21 ARG A 477 -3.457 9.750 5.601 1.00 20.00 H new ATOM 0 HH22 ARG A 477 -3.660 9.343 7.308 1.00 20.00 H new ATOM 1158 N VAL A 478 -0.204 16.614 4.832 1.00 20.00 N ATOM 1159 CA VAL A 478 -1.039 17.097 3.719 1.00 20.00 C ATOM 1160 C VAL A 478 -0.860 16.239 2.465 1.00 20.00 C ATOM 1161 O VAL A 478 0.253 15.817 2.143 1.00 20.00 O ATOM 1162 CB VAL A 478 -0.803 18.601 3.459 1.00 20.00 C ATOM 1163 CG1 VAL A 478 0.621 18.929 2.987 1.00 20.00 C ATOM 1164 CG2 VAL A 478 -1.804 19.182 2.453 1.00 20.00 C ATOM 0 H VAL A 478 0.736 16.344 4.543 1.00 20.00 H new ATOM 0 HA VAL A 478 -2.084 16.991 4.009 1.00 20.00 H new ATOM 0 HB VAL A 478 -0.952 19.068 4.433 1.00 20.00 H new ATOM 0 HG11 VAL A 478 0.712 20.003 2.825 1.00 20.00 H new ATOM 0 HG12 VAL A 478 1.337 18.615 3.746 1.00 20.00 H new ATOM 0 HG13 VAL A 478 0.826 18.403 2.055 1.00 20.00 H new ATOM 0 HG21 VAL A 478 -1.597 20.242 2.304 1.00 20.00 H new ATOM 0 HG22 VAL A 478 -1.711 18.657 1.502 1.00 20.00 H new ATOM 0 HG23 VAL A 478 -2.817 19.061 2.837 1.00 20.00 H new ATOM 1174 N LEU A 479 -1.968 15.989 1.767 1.00 20.00 N ATOM 1175 CA LEU A 479 -2.072 15.270 0.492 1.00 20.00 C ATOM 1176 C LEU A 479 -3.099 15.983 -0.421 1.00 20.00 C ATOM 1177 O LEU A 479 -4.066 16.554 0.100 1.00 20.00 O ATOM 1178 CB LEU A 479 -2.519 13.815 0.754 1.00 20.00 C ATOM 1179 CG LEU A 479 -1.516 12.911 1.495 1.00 20.00 C ATOM 1180 CD1 LEU A 479 -2.140 11.531 1.718 1.00 20.00 C ATOM 1181 CD2 LEU A 479 -0.217 12.709 0.715 1.00 20.00 C ATOM 0 H LEU A 479 -2.880 16.304 2.098 1.00 20.00 H new ATOM 0 HA LEU A 479 -1.101 15.261 -0.002 1.00 20.00 H new ATOM 0 HB2 LEU A 479 -3.445 13.841 1.329 1.00 20.00 H new ATOM 0 HB3 LEU A 479 -2.752 13.352 -0.205 1.00 20.00 H new ATOM 0 HG LEU A 479 -1.283 13.408 2.437 1.00 20.00 H new ATOM 0 HD11 LEU A 479 -1.430 10.891 2.242 1.00 20.00 H new ATOM 0 HD12 LEU A 479 -3.046 11.634 2.315 1.00 20.00 H new ATOM 0 HD13 LEU A 479 -2.389 11.084 0.755 1.00 20.00 H new ATOM 0 HD21 LEU A 479 0.453 12.064 1.284 1.00 20.00 H new ATOM 0 HD22 LEU A 479 -0.438 12.245 -0.246 1.00 20.00 H new ATOM 0 HD23 LEU A 479 0.262 13.674 0.550 1.00 20.00 H new ATOM 1193 N PRO A 480 -2.936 15.958 -1.758 1.00 20.00 N ATOM 1194 CA PRO A 480 -3.920 16.514 -2.691 1.00 20.00 C ATOM 1195 C PRO A 480 -5.235 15.708 -2.706 1.00 20.00 C ATOM 1196 O PRO A 480 -5.278 14.538 -2.318 1.00 20.00 O ATOM 1197 CB PRO A 480 -3.224 16.528 -4.056 1.00 20.00 C ATOM 1198 CG PRO A 480 -2.246 15.360 -3.960 1.00 20.00 C ATOM 1199 CD PRO A 480 -1.815 15.386 -2.492 1.00 20.00 C ATOM 0 HA PRO A 480 -4.227 17.517 -2.394 1.00 20.00 H new ATOM 0 HB2 PRO A 480 -3.934 16.393 -4.872 1.00 20.00 H new ATOM 0 HB3 PRO A 480 -2.708 17.471 -4.236 1.00 20.00 H new ATOM 0 HG2 PRO A 480 -2.720 14.415 -4.224 1.00 20.00 H new ATOM 0 HG3 PRO A 480 -1.397 15.489 -4.631 1.00 20.00 H new ATOM 0 HD2 PRO A 480 -1.585 14.382 -2.134 1.00 20.00 H new ATOM 0 HD3 PRO A 480 -0.914 15.986 -2.360 1.00 20.00 H new