USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 378 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 456 SER OG : rot -79:sc= -0.242 USER MOD Set 1.2: A 458 THR OG1 : rot 180:sc= 0.164 USER MOD Set 2.1: A 452 SER OG : rot 160:sc= 0.016 USER MOD Set 2.2: A 465 MET CE :methyl -165:sc= -0.261 (180deg=-0.714) USER MOD Single : A 442 THR OG1 : rot -92:sc= 0.129 USER MOD Single : A 445 TYR OH : rot 180:sc= 0 USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 447 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 449 SER OG : rot 111:sc= 1.28 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 459 CYS SG : rot -25:sc= 0.0229 USER MOD Single : A 461 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0432) USER MOD Single : A 467 GLN : amide:sc=-0.00586 X(o=-0.0059,f=0) USER MOD Single : A 469 MET CE :methyl -122:sc= 0 (180deg=-0.0654) USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 GLN : amide:sc= 0.206 X(o=0.21,f=-0.051) USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 484 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 487 GLN : amide:sc= 0.835 K(o=0.83,f=-0.19) USER MOD Single : A 490 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N GLU A 441 14.939 -5.754 -6.685 1.00 0.00 N ATOM 20 CA GLU A 441 15.793 -6.830 -6.189 1.00 0.00 C ATOM 21 C GLU A 441 16.929 -6.280 -5.318 1.00 0.00 C ATOM 22 O GLU A 441 17.447 -6.986 -4.451 1.00 0.00 O ATOM 23 CB GLU A 441 16.339 -7.689 -7.336 1.00 0.00 C ATOM 24 CG GLU A 441 17.225 -6.922 -8.323 1.00 0.00 C ATOM 25 CD GLU A 441 17.858 -7.812 -9.395 1.00 0.00 C ATOM 26 OE1 GLU A 441 17.955 -9.054 -9.220 1.00 0.00 O ATOM 27 OE2 GLU A 441 18.238 -7.268 -10.457 1.00 0.00 O ATOM 0 HA GLU A 441 15.176 -7.475 -5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 441 16.912 -8.516 -6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 441 15.501 -8.126 -7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 441 16.629 -6.149 -8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 441 18.016 -6.414 -7.770 1.00 0.00 H new ATOM 34 N THR A 442 17.301 -5.023 -5.545 1.00 0.00 N ATOM 35 CA THR A 442 18.327 -4.283 -4.835 1.00 0.00 C ATOM 36 C THR A 442 17.798 -3.792 -3.483 1.00 0.00 C ATOM 37 O THR A 442 18.546 -3.198 -2.720 1.00 0.00 O ATOM 38 CB THR A 442 18.782 -3.097 -5.713 1.00 0.00 C ATOM 39 OG1 THR A 442 17.692 -2.577 -6.476 1.00 0.00 O ATOM 40 CG2 THR A 442 19.883 -3.533 -6.681 1.00 0.00 C ATOM 0 H THR A 442 16.863 -4.464 -6.277 1.00 0.00 H new ATOM 0 HA THR A 442 19.179 -4.933 -4.637 1.00 0.00 H new ATOM 0 HB THR A 442 19.160 -2.325 -5.043 1.00 0.00 H new ATOM 0 HG1 THR A 442 17.664 -3.019 -7.350 1.00 0.00 H new ATOM 0 HG21 THR A 442 20.189 -2.683 -7.290 1.00 0.00 H new ATOM 0 HG22 THR A 442 20.739 -3.902 -6.116 1.00 0.00 H new ATOM 0 HG23 THR A 442 19.506 -4.326 -7.327 1.00 0.00 H new ATOM 48 N CYS A 443 16.538 -4.064 -3.138 1.00 0.00 N ATOM 49 CA CYS A 443 15.901 -3.638 -1.907 1.00 0.00 C ATOM 50 C CYS A 443 15.327 -4.817 -1.110 1.00 0.00 C ATOM 51 O CYS A 443 15.050 -5.888 -1.659 1.00 0.00 O ATOM 52 CB CYS A 443 14.806 -2.609 -2.250 1.00 0.00 C ATOM 53 SG CYS A 443 15.318 -1.109 -3.151 1.00 0.00 S ATOM 0 H CYS A 443 15.916 -4.608 -3.736 1.00 0.00 H new ATOM 0 HA CYS A 443 16.652 -3.179 -1.264 1.00 0.00 H new ATOM 0 HB2 CYS A 443 14.043 -3.114 -2.842 1.00 0.00 H new ATOM 0 HB3 CYS A 443 14.333 -2.298 -1.319 1.00 0.00 H new ATOM 58 N ILE A 444 15.135 -4.611 0.198 1.00 0.00 N ATOM 59 CA ILE A 444 14.596 -5.540 1.191 1.00 0.00 C ATOM 60 C ILE A 444 13.751 -4.692 2.149 1.00 0.00 C ATOM 61 O ILE A 444 14.266 -3.989 3.023 1.00 0.00 O ATOM 62 CB ILE A 444 15.693 -6.360 1.918 1.00 0.00 C ATOM 63 CG1 ILE A 444 16.637 -7.155 0.988 1.00 0.00 C ATOM 64 CG2 ILE A 444 15.048 -7.305 2.944 1.00 0.00 C ATOM 65 CD1 ILE A 444 15.995 -8.348 0.267 1.00 0.00 C ATOM 0 H ILE A 444 15.373 -3.714 0.622 1.00 0.00 H new ATOM 0 HA ILE A 444 13.987 -6.305 0.710 1.00 0.00 H new ATOM 0 HB ILE A 444 16.326 -5.623 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 444 17.041 -6.474 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 444 17.480 -7.518 1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.825 -7.877 3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 444 14.492 -6.721 3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 444 14.369 -7.988 2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 444 16.740 -8.838 -0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 444 15.617 -9.057 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 444 15.172 -7.997 -0.355 1.00 0.00 H new ATOM 77 N TYR A 445 12.432 -4.747 1.989 1.00 0.00 N ATOM 78 CA TYR A 445 11.471 -4.001 2.798 1.00 0.00 C ATOM 79 C TYR A 445 10.731 -4.939 3.755 1.00 0.00 C ATOM 80 O TYR A 445 10.705 -6.161 3.584 1.00 0.00 O ATOM 81 CB TYR A 445 10.452 -3.286 1.895 1.00 0.00 C ATOM 82 CG TYR A 445 10.876 -2.936 0.477 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.850 -3.930 -0.519 1.00 0.00 C ATOM 84 CD2 TYR A 445 11.201 -1.618 0.113 1.00 0.00 C ATOM 85 CE1 TYR A 445 11.166 -3.619 -1.850 1.00 0.00 C ATOM 86 CE2 TYR A 445 11.445 -1.288 -1.228 1.00 0.00 C ATOM 87 CZ TYR A 445 11.445 -2.290 -2.224 1.00 0.00 C ATOM 88 OH TYR A 445 11.698 -2.010 -3.529 1.00 0.00 O ATOM 0 H TYR A 445 11.990 -5.326 1.275 1.00 0.00 H new ATOM 0 HA TYR A 445 12.021 -3.260 3.378 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.563 -3.914 1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 445 10.155 -2.363 2.392 1.00 0.00 H new ATOM 0 HD1 TYR A 445 10.584 -4.943 -0.256 1.00 0.00 H new ATOM 0 HD2 TYR A 445 11.263 -0.853 0.873 1.00 0.00 H new ATOM 0 HE1 TYR A 445 11.196 -4.403 -2.592 1.00 0.00 H new ATOM 0 HE2 TYR A 445 11.634 -0.260 -1.501 1.00 0.00 H new ATOM 0 HH TYR A 445 11.872 -1.051 -3.630 1.00 0.00 H new ATOM 98 N SER A 446 10.125 -4.354 4.780 1.00 0.00 N ATOM 99 CA SER A 446 9.335 -5.002 5.813 1.00 0.00 C ATOM 100 C SER A 446 7.955 -5.333 5.231 1.00 0.00 C ATOM 101 O SER A 446 7.610 -4.899 4.126 1.00 0.00 O ATOM 102 CB SER A 446 9.270 -4.025 6.995 1.00 0.00 C ATOM 103 OG SER A 446 8.435 -4.428 8.057 1.00 0.00 O ATOM 0 H SER A 446 10.178 -3.345 4.919 1.00 0.00 H new ATOM 0 HA SER A 446 9.766 -5.941 6.160 1.00 0.00 H new ATOM 0 HB2 SER A 446 10.279 -3.879 7.381 1.00 0.00 H new ATOM 0 HB3 SER A 446 8.925 -3.058 6.629 1.00 0.00 H new ATOM 0 HG SER A 446 8.455 -3.750 8.764 1.00 0.00 H new ATOM 109 N ASN A 447 7.181 -6.142 5.951 1.00 0.00 N ATOM 110 CA ASN A 447 5.847 -6.540 5.538 1.00 0.00 C ATOM 111 C ASN A 447 4.937 -5.305 5.437 1.00 0.00 C ATOM 112 O ASN A 447 5.111 -4.315 6.155 1.00 0.00 O ATOM 113 CB ASN A 447 5.293 -7.583 6.524 1.00 0.00 C ATOM 114 CG ASN A 447 4.443 -6.970 7.632 1.00 0.00 C ATOM 115 OD1 ASN A 447 4.941 -6.291 8.520 1.00 0.00 O ATOM 116 ND2 ASN A 447 3.141 -7.182 7.594 1.00 0.00 N ATOM 0 H ASN A 447 7.469 -6.541 6.845 1.00 0.00 H new ATOM 0 HA ASN A 447 5.885 -6.999 4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 447 4.694 -8.310 5.975 1.00 0.00 H new ATOM 0 HB3 ASN A 447 6.124 -8.128 6.972 1.00 0.00 H new ATOM 0 HD21 ASN A 447 2.537 -6.778 8.310 1.00 0.00 H new ATOM 0 HD22 ASN A 447 2.738 -7.750 6.848 1.00 0.00 H new ATOM 123 N TRP A 448 3.943 -5.368 4.556 1.00 0.00 N ATOM 124 CA TRP A 448 3.010 -4.273 4.374 1.00 0.00 C ATOM 125 C TRP A 448 2.131 -4.132 5.609 1.00 0.00 C ATOM 126 O TRP A 448 1.435 -5.089 5.963 1.00 0.00 O ATOM 127 CB TRP A 448 2.138 -4.501 3.139 1.00 0.00 C ATOM 128 CG TRP A 448 2.767 -4.189 1.819 1.00 0.00 C ATOM 129 CD1 TRP A 448 3.036 -5.069 0.830 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.132 -2.880 1.299 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.506 -4.395 -0.280 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.580 -3.034 -0.049 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.107 -1.574 1.836 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.005 -1.936 -0.817 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.576 -0.482 1.089 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.054 -0.669 -0.216 1.00 0.00 C ATOM 0 H TRP A 448 3.767 -6.174 3.956 1.00 0.00 H new ATOM 0 HA TRP A 448 3.580 -3.355 4.228 1.00 0.00 H new ATOM 0 HB2 TRP A 448 1.823 -5.544 3.130 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.236 -3.897 3.240 1.00 0.00 H new ATOM 0 HD1 TRP A 448 2.903 -6.139 0.897 1.00 0.00 H new ATOM 0 HE1 TRP A 448 3.765 -4.844 -1.158 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.723 -1.414 2.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.289 -2.065 -1.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.569 0.508 1.522 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.463 0.168 -0.762 1.00 0.00 H new ATOM 147 N SER A 449 2.160 -2.954 6.234 1.00 0.00 N ATOM 148 CA SER A 449 1.352 -2.643 7.404 1.00 0.00 C ATOM 149 C SER A 449 -0.137 -2.620 6.980 1.00 0.00 C ATOM 150 O SER A 449 -0.439 -2.586 5.773 1.00 0.00 O ATOM 151 CB SER A 449 1.809 -1.284 7.976 1.00 0.00 C ATOM 152 OG SER A 449 3.217 -1.125 7.940 1.00 0.00 O ATOM 0 H SER A 449 2.755 -2.182 5.934 1.00 0.00 H new ATOM 0 HA SER A 449 1.474 -3.395 8.184 1.00 0.00 H new ATOM 0 HB2 SER A 449 1.341 -0.479 7.409 1.00 0.00 H new ATOM 0 HB3 SER A 449 1.463 -1.192 9.005 1.00 0.00 H new ATOM 0 HG SER A 449 3.452 -0.435 7.285 1.00 0.00 H new ATOM 158 N PRO A 450 -1.088 -2.622 7.932 1.00 0.00 N ATOM 159 CA PRO A 450 -2.506 -2.586 7.604 1.00 0.00 C ATOM 160 C PRO A 450 -2.883 -1.273 6.913 1.00 0.00 C ATOM 161 O PRO A 450 -2.128 -0.294 6.922 1.00 0.00 O ATOM 162 CB PRO A 450 -3.243 -2.811 8.922 1.00 0.00 C ATOM 163 CG PRO A 450 -2.258 -2.332 9.980 1.00 0.00 C ATOM 164 CD PRO A 450 -0.903 -2.673 9.375 1.00 0.00 C ATOM 0 HA PRO A 450 -2.782 -3.358 6.886 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -4.175 -2.247 8.960 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -3.500 -3.861 9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -2.357 -1.263 10.168 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -2.412 -2.839 10.933 1.00 0.00 H new ATOM 0 HD2 PRO A 450 -0.141 -1.963 9.697 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.571 -3.662 9.692 1.00 0.00 H new ATOM 172 N TRP A 451 -4.046 -1.273 6.268 1.00 0.00 N ATOM 173 CA TRP A 451 -4.560 -0.125 5.550 1.00 0.00 C ATOM 174 C TRP A 451 -5.120 0.926 6.499 1.00 0.00 C ATOM 175 O TRP A 451 -5.685 0.588 7.540 1.00 0.00 O ATOM 176 CB TRP A 451 -5.693 -0.595 4.636 1.00 0.00 C ATOM 177 CG TRP A 451 -5.263 -1.361 3.430 1.00 0.00 C ATOM 178 CD1 TRP A 451 -5.449 -2.674 3.181 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.558 -0.840 2.277 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.861 -2.999 1.972 1.00 0.00 N ATOM 181 CE2 TRP A 451 -4.281 -1.901 1.379 1.00 0.00 C ATOM 182 CE3 TRP A 451 -4.122 0.444 1.919 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.552 -1.700 0.200 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -3.418 0.670 0.728 1.00 0.00 C ATOM 185 CH2 TRP A 451 -3.109 -0.404 -0.118 1.00 0.00 C ATOM 0 H TRP A 451 -4.662 -2.085 6.233 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.742 0.320 4.984 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -6.373 -1.217 5.218 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -6.260 0.277 4.309 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.975 -3.363 3.825 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.858 -3.936 1.570 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -4.333 1.276 2.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -3.333 -2.529 -0.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -3.114 1.672 0.462 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.530 -0.236 -1.014 1.00 0.00 H new ATOM 196 N SER A 452 -4.993 2.197 6.129 1.00 0.00 N ATOM 197 CA SER A 452 -5.513 3.308 6.891 1.00 0.00 C ATOM 198 C SER A 452 -6.998 3.466 6.535 1.00 0.00 C ATOM 199 O SER A 452 -7.589 2.639 5.826 1.00 0.00 O ATOM 200 CB SER A 452 -4.701 4.567 6.553 1.00 0.00 C ATOM 201 OG SER A 452 -4.916 5.007 5.225 1.00 0.00 O ATOM 0 H SER A 452 -4.515 2.480 5.273 1.00 0.00 H new ATOM 0 HA SER A 452 -5.427 3.140 7.965 1.00 0.00 H new ATOM 0 HB2 SER A 452 -4.969 5.365 7.245 1.00 0.00 H new ATOM 0 HB3 SER A 452 -3.640 4.362 6.698 1.00 0.00 H new ATOM 0 HG SER A 452 -4.656 5.949 5.146 1.00 0.00 H new ATOM 207 N ALA A 453 -7.601 4.541 7.036 1.00 0.00 N ATOM 208 CA ALA A 453 -8.987 4.871 6.795 1.00 0.00 C ATOM 209 C ALA A 453 -9.256 4.988 5.289 1.00 0.00 C ATOM 210 O ALA A 453 -8.397 5.425 4.514 1.00 0.00 O ATOM 211 CB ALA A 453 -9.275 6.200 7.493 1.00 0.00 C ATOM 0 H ALA A 453 -7.122 5.216 7.632 1.00 0.00 H new ATOM 0 HA ALA A 453 -9.637 4.088 7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.316 6.478 7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -9.090 6.097 8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -8.624 6.974 7.085 1.00 0.00 H new ATOM 217 N CYS A 454 -10.446 4.586 4.860 1.00 0.00 N ATOM 218 CA CYS A 454 -10.882 4.651 3.477 1.00 0.00 C ATOM 219 C CYS A 454 -11.195 6.105 3.147 1.00 0.00 C ATOM 220 O CYS A 454 -11.958 6.732 3.884 1.00 0.00 O ATOM 221 CB CYS A 454 -12.185 3.860 3.309 1.00 0.00 C ATOM 222 SG CYS A 454 -12.029 2.164 2.734 1.00 0.00 S ATOM 0 H CYS A 454 -11.152 4.195 5.485 1.00 0.00 H new ATOM 0 HA CYS A 454 -10.104 4.245 2.831 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -12.702 3.848 4.268 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -12.823 4.400 2.609 1.00 0.00 H new ATOM 227 N SER A 455 -10.669 6.629 2.033 1.00 0.00 N ATOM 228 CA SER A 455 -10.956 8.006 1.628 1.00 0.00 C ATOM 229 C SER A 455 -12.476 8.126 1.473 1.00 0.00 C ATOM 230 O SER A 455 -13.052 9.132 1.880 1.00 0.00 O ATOM 231 CB SER A 455 -10.194 8.361 0.346 1.00 0.00 C ATOM 232 OG SER A 455 -10.305 9.735 0.010 1.00 0.00 O ATOM 0 H SER A 455 -10.047 6.123 1.402 1.00 0.00 H new ATOM 0 HA SER A 455 -10.617 8.721 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 455 -9.142 8.105 0.470 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.574 7.757 -0.478 1.00 0.00 H new ATOM 0 HG SER A 455 -9.802 9.912 -0.812 1.00 0.00 H new ATOM 238 N SER A 456 -13.121 7.110 0.878 1.00 0.00 N ATOM 239 CA SER A 456 -14.561 7.103 0.728 1.00 0.00 C ATOM 240 C SER A 456 -15.077 6.325 1.924 1.00 0.00 C ATOM 241 O SER A 456 -14.945 5.104 1.990 1.00 0.00 O ATOM 242 CB SER A 456 -15.061 6.514 -0.598 1.00 0.00 C ATOM 243 OG SER A 456 -16.159 7.306 -0.989 1.00 0.00 O ATOM 0 H SER A 456 -12.655 6.287 0.496 1.00 0.00 H new ATOM 0 HA SER A 456 -14.938 8.125 0.696 1.00 0.00 H new ATOM 0 HB2 SER A 456 -14.276 6.535 -1.354 1.00 0.00 H new ATOM 0 HB3 SER A 456 -15.356 5.472 -0.475 1.00 0.00 H new ATOM 0 HG SER A 456 -16.952 7.040 -0.479 1.00 0.00 H new ATOM 249 N SER A 457 -15.597 7.052 2.897 1.00 0.00 N ATOM 250 CA SER A 457 -16.171 6.524 4.123 1.00 0.00 C ATOM 251 C SER A 457 -17.551 5.891 3.811 1.00 0.00 C ATOM 252 O SER A 457 -18.230 5.400 4.715 1.00 0.00 O ATOM 253 CB SER A 457 -16.231 7.694 5.124 1.00 0.00 C ATOM 254 OG SER A 457 -16.162 7.290 6.480 1.00 0.00 O ATOM 0 H SER A 457 -15.632 8.070 2.853 1.00 0.00 H new ATOM 0 HA SER A 457 -15.574 5.726 4.565 1.00 0.00 H new ATOM 0 HB2 SER A 457 -15.410 8.380 4.917 1.00 0.00 H new ATOM 0 HB3 SER A 457 -17.156 8.248 4.966 1.00 0.00 H new ATOM 0 HG SER A 457 -16.204 8.080 7.059 1.00 0.00 H new ATOM 260 N THR A 458 -17.968 5.894 2.543 1.00 0.00 N ATOM 261 CA THR A 458 -19.202 5.376 1.984 1.00 0.00 C ATOM 262 C THR A 458 -18.902 4.175 1.086 1.00 0.00 C ATOM 263 O THR A 458 -17.750 3.864 0.784 1.00 0.00 O ATOM 264 CB THR A 458 -19.893 6.517 1.224 1.00 0.00 C ATOM 265 OG1 THR A 458 -18.994 7.081 0.280 1.00 0.00 O ATOM 266 CG2 THR A 458 -20.365 7.608 2.193 1.00 0.00 C ATOM 0 H THR A 458 -17.384 6.303 1.814 1.00 0.00 H new ATOM 0 HA THR A 458 -19.873 5.022 2.767 1.00 0.00 H new ATOM 0 HB THR A 458 -20.761 6.108 0.707 1.00 0.00 H new ATOM 0 HG1 THR A 458 -19.440 7.807 -0.203 1.00 0.00 H new ATOM 0 HG21 THR A 458 -20.852 8.406 1.633 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.072 7.181 2.905 1.00 0.00 H new ATOM 0 HG23 THR A 458 -19.508 8.013 2.731 1.00 0.00 H new ATOM 274 N CYS A 459 -19.955 3.507 0.625 1.00 0.00 N ATOM 275 CA CYS A 459 -19.890 2.336 -0.230 1.00 0.00 C ATOM 276 C CYS A 459 -19.244 2.603 -1.592 1.00 0.00 C ATOM 277 O CYS A 459 -18.964 1.645 -2.315 1.00 0.00 O ATOM 278 CB CYS A 459 -21.323 1.798 -0.375 1.00 0.00 C ATOM 279 SG CYS A 459 -21.592 0.274 -1.315 1.00 0.00 S ATOM 0 H CYS A 459 -20.912 3.781 0.848 1.00 0.00 H new ATOM 0 HA CYS A 459 -19.239 1.595 0.234 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -21.720 1.641 0.628 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -21.924 2.581 -0.837 1.00 0.00 H new ATOM 0 HG CYS A 459 -20.631 0.120 -2.177 1.00 0.00 H new ATOM 284 N GLU A 460 -19.064 3.861 -2.016 1.00 0.00 N ATOM 285 CA GLU A 460 -18.430 4.072 -3.316 1.00 0.00 C ATOM 286 C GLU A 460 -16.962 3.637 -3.243 1.00 0.00 C ATOM 287 O GLU A 460 -16.371 3.547 -2.164 1.00 0.00 O ATOM 288 CB GLU A 460 -18.654 5.472 -3.896 1.00 0.00 C ATOM 289 CG GLU A 460 -17.842 6.630 -3.334 1.00 0.00 C ATOM 290 CD GLU A 460 -18.068 7.935 -4.112 1.00 0.00 C ATOM 291 OE1 GLU A 460 -18.383 7.915 -5.325 1.00 0.00 O ATOM 292 OE2 GLU A 460 -18.012 9.026 -3.497 1.00 0.00 O ATOM 0 H GLU A 460 -19.333 4.704 -1.508 1.00 0.00 H new ATOM 0 HA GLU A 460 -18.925 3.435 -4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -18.461 5.421 -4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -19.709 5.717 -3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -18.108 6.783 -2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -16.783 6.374 -3.359 1.00 0.00 H new ATOM 299 N LYS A 461 -16.373 3.325 -4.396 1.00 0.00 N ATOM 300 CA LYS A 461 -14.989 2.881 -4.450 1.00 0.00 C ATOM 301 C LYS A 461 -14.071 3.990 -4.002 1.00 0.00 C ATOM 302 O LYS A 461 -13.913 4.998 -4.698 1.00 0.00 O ATOM 303 CB LYS A 461 -14.581 2.385 -5.835 1.00 0.00 C ATOM 304 CG LYS A 461 -15.057 0.941 -6.059 1.00 0.00 C ATOM 305 CD LYS A 461 -14.065 -0.088 -5.503 1.00 0.00 C ATOM 306 CE LYS A 461 -14.600 -1.514 -5.683 1.00 0.00 C ATOM 307 NZ LYS A 461 -13.538 -2.509 -5.434 1.00 0.00 N ATOM 0 H LYS A 461 -16.836 3.373 -5.304 1.00 0.00 H new ATOM 0 HA LYS A 461 -14.900 2.033 -3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -15.006 3.036 -6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -13.497 2.436 -5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.027 0.802 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -15.198 0.768 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -13.107 0.012 -6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -13.886 0.107 -4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -15.431 -1.684 -4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -14.989 -1.636 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -13.923 -3.467 -5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -12.757 -2.358 -6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -13.185 -2.404 -4.461 1.00 0.00 H new ATOM 321 N GLY A 462 -13.486 3.815 -2.830 1.00 0.00 N ATOM 322 CA GLY A 462 -12.560 4.756 -2.259 1.00 0.00 C ATOM 323 C GLY A 462 -11.168 4.190 -2.434 1.00 0.00 C ATOM 324 O GLY A 462 -10.962 3.251 -3.206 1.00 0.00 O ATOM 0 H GLY A 462 -13.650 2.997 -2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -12.645 5.724 -2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.779 4.916 -1.203 1.00 0.00 H new ATOM 328 N LYS A 463 -10.212 4.749 -1.705 1.00 0.00 N ATOM 329 CA LYS A 463 -8.811 4.351 -1.710 1.00 0.00 C ATOM 330 C LYS A 463 -8.241 4.493 -0.310 1.00 0.00 C ATOM 331 O LYS A 463 -8.558 5.451 0.406 1.00 0.00 O ATOM 332 CB LYS A 463 -7.974 5.231 -2.657 1.00 0.00 C ATOM 333 CG LYS A 463 -8.328 5.048 -4.136 1.00 0.00 C ATOM 334 CD LYS A 463 -7.382 5.865 -5.024 1.00 0.00 C ATOM 335 CE LYS A 463 -7.700 5.679 -6.512 1.00 0.00 C ATOM 336 NZ LYS A 463 -9.033 6.207 -6.882 1.00 0.00 N ATOM 0 H LYS A 463 -10.399 5.524 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.764 3.317 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -8.113 6.277 -2.385 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -6.918 5.002 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -8.265 3.993 -4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -9.358 5.359 -4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -7.460 6.921 -4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -6.352 5.565 -4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -6.937 6.180 -7.108 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -7.652 4.619 -6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -9.156 6.148 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -9.772 5.645 -6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -9.109 7.199 -6.580 1.00 0.00 H new ATOM 350 N ARG A 464 -7.443 3.518 0.107 1.00 0.00 N ATOM 351 CA ARG A 464 -6.772 3.507 1.407 1.00 0.00 C ATOM 352 C ARG A 464 -5.282 3.708 1.152 1.00 0.00 C ATOM 353 O ARG A 464 -4.837 3.639 0.005 1.00 0.00 O ATOM 354 CB ARG A 464 -6.984 2.162 2.104 1.00 0.00 C ATOM 355 CG ARG A 464 -8.454 1.890 2.395 1.00 0.00 C ATOM 356 CD ARG A 464 -8.709 0.410 2.645 1.00 0.00 C ATOM 357 NE ARG A 464 -8.414 -0.460 1.492 1.00 0.00 N ATOM 358 CZ ARG A 464 -8.546 -1.790 1.485 1.00 0.00 C ATOM 359 NH1 ARG A 464 -8.918 -2.448 2.579 1.00 0.00 N ATOM 360 NH2 ARG A 464 -8.317 -2.449 0.356 1.00 0.00 N ATOM 0 H ARG A 464 -7.238 2.694 -0.459 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.176 4.293 2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -6.586 1.364 1.478 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.422 2.146 3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.766 2.466 3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -9.061 2.228 1.555 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -8.104 0.087 3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -9.753 0.276 2.929 1.00 0.00 H new ATOM 0 HE ARG A 464 -8.085 -0.014 0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -9.108 -1.937 3.441 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -9.014 -3.463 2.556 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -8.046 -1.940 -0.485 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -8.412 -3.464 0.330 1.00 0.00 H new ATOM 374 N MET A 465 -4.503 3.894 2.211 1.00 0.00 N ATOM 375 CA MET A 465 -3.063 4.084 2.142 1.00 0.00 C ATOM 376 C MET A 465 -2.409 3.120 3.124 1.00 0.00 C ATOM 377 O MET A 465 -2.983 2.788 4.165 1.00 0.00 O ATOM 378 CB MET A 465 -2.755 5.548 2.476 1.00 0.00 C ATOM 379 CG MET A 465 -1.266 5.904 2.578 1.00 0.00 C ATOM 380 SD MET A 465 -0.413 5.459 4.125 1.00 0.00 S ATOM 381 CE MET A 465 -1.426 6.345 5.349 1.00 0.00 C ATOM 0 H MET A 465 -4.866 3.917 3.164 1.00 0.00 H new ATOM 0 HA MET A 465 -2.669 3.874 1.147 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.210 6.180 1.713 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.235 5.795 3.423 1.00 0.00 H new ATOM 0 HG2 MET A 465 -0.745 5.420 1.752 1.00 0.00 H new ATOM 0 HG3 MET A 465 -1.164 6.979 2.432 1.00 0.00 H new ATOM 0 HE1 MET A 465 -0.891 6.394 6.297 1.00 0.00 H new ATOM 0 HE2 MET A 465 -1.627 7.355 4.992 1.00 0.00 H new ATOM 0 HE3 MET A 465 -2.369 5.817 5.492 1.00 0.00 H new ATOM 391 N ARG A 466 -1.229 2.615 2.778 1.00 0.00 N ATOM 392 CA ARG A 466 -0.439 1.716 3.609 1.00 0.00 C ATOM 393 C ARG A 466 1.012 2.069 3.347 1.00 0.00 C ATOM 394 O ARG A 466 1.347 2.565 2.269 1.00 0.00 O ATOM 395 CB ARG A 466 -0.722 0.234 3.313 1.00 0.00 C ATOM 396 CG ARG A 466 -0.283 -0.196 1.909 1.00 0.00 C ATOM 397 CD ARG A 466 -0.527 -1.688 1.716 1.00 0.00 C ATOM 398 NE ARG A 466 -0.154 -2.110 0.360 1.00 0.00 N ATOM 399 CZ ARG A 466 0.009 -3.364 -0.059 1.00 0.00 C ATOM 400 NH1 ARG A 466 -0.253 -4.383 0.756 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.446 -3.579 -1.295 1.00 0.00 N ATOM 0 H ARG A 466 -0.784 2.827 1.885 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.698 1.844 4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.209 -0.382 4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.789 0.045 3.427 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.834 0.370 1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 466 0.774 0.029 1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.050 -2.252 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.578 -1.915 1.895 1.00 0.00 H new ATOM 0 HE ARG A 466 -0.005 -1.372 -0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.580 -4.205 1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 466 -0.127 -5.342 0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.651 -2.790 -1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 466 0.576 -4.533 -1.631 1.00 0.00 H new ATOM 415 N GLN A 467 1.874 1.792 4.311 1.00 0.00 N ATOM 416 CA GLN A 467 3.292 2.033 4.204 1.00 0.00 C ATOM 417 C GLN A 467 3.977 0.848 4.883 1.00 0.00 C ATOM 418 O GLN A 467 3.360 0.097 5.645 1.00 0.00 O ATOM 419 CB GLN A 467 3.646 3.450 4.743 1.00 0.00 C ATOM 420 CG GLN A 467 4.998 3.547 5.481 1.00 0.00 C ATOM 421 CD GLN A 467 5.482 4.956 5.828 1.00 0.00 C ATOM 422 OE1 GLN A 467 6.686 5.206 5.836 1.00 0.00 O ATOM 423 NE2 GLN A 467 4.614 5.890 6.173 1.00 0.00 N ATOM 0 H GLN A 467 1.596 1.386 5.204 1.00 0.00 H new ATOM 0 HA GLN A 467 3.657 2.072 3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 467 3.655 4.149 3.907 1.00 0.00 H new ATOM 0 HB3 GLN A 467 2.855 3.773 5.420 1.00 0.00 H new ATOM 0 HG2 GLN A 467 4.925 2.973 6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 467 5.759 3.066 4.866 1.00 0.00 H new ATOM 0 HE21 GLN A 467 3.615 5.685 6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 467 4.943 6.816 6.445 1.00 0.00 H new ATOM 432 N ARG A 468 5.227 0.606 4.523 1.00 0.00 N ATOM 433 CA ARG A 468 6.095 -0.434 5.072 1.00 0.00 C ATOM 434 C ARG A 468 7.425 0.223 5.395 1.00 0.00 C ATOM 435 O ARG A 468 7.677 1.329 4.929 1.00 0.00 O ATOM 436 CB ARG A 468 6.217 -1.665 4.169 1.00 0.00 C ATOM 437 CG ARG A 468 6.757 -1.379 2.765 1.00 0.00 C ATOM 438 CD ARG A 468 6.765 -2.678 1.942 1.00 0.00 C ATOM 439 NE ARG A 468 6.651 -2.458 0.491 1.00 0.00 N ATOM 440 CZ ARG A 468 7.357 -1.684 -0.336 1.00 0.00 C ATOM 441 NH1 ARG A 468 8.391 -0.997 0.113 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.022 -1.582 -1.616 1.00 0.00 N ATOM 0 H ARG A 468 5.692 1.157 3.802 1.00 0.00 H new ATOM 0 HA ARG A 468 5.658 -0.846 5.982 1.00 0.00 H new ATOM 0 HB2 ARG A 468 6.870 -2.391 4.654 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.236 -2.130 4.078 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.139 -0.628 2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 468 7.765 -0.970 2.828 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.687 -3.222 2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.941 -3.311 2.271 1.00 0.00 H new ATOM 0 HE ARG A 468 5.905 -2.988 0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 468 8.654 -1.056 1.097 1.00 0.00 H new ATOM 0 HH12 ARG A 468 8.927 -0.407 -0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 468 6.219 -2.098 -1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.568 -0.988 -2.240 1.00 0.00 H new ATOM 456 N MET A 469 8.283 -0.441 6.161 1.00 0.00 N ATOM 457 CA MET A 469 9.569 0.122 6.543 1.00 0.00 C ATOM 458 C MET A 469 10.688 -0.539 5.743 1.00 0.00 C ATOM 459 O MET A 469 10.562 -1.690 5.319 1.00 0.00 O ATOM 460 CB MET A 469 9.702 -0.004 8.069 1.00 0.00 C ATOM 461 CG MET A 469 10.948 0.704 8.609 1.00 0.00 C ATOM 462 SD MET A 469 10.871 1.244 10.339 1.00 0.00 S ATOM 463 CE MET A 469 9.768 2.671 10.133 1.00 0.00 C ATOM 0 H MET A 469 8.108 -1.375 6.531 1.00 0.00 H new ATOM 0 HA MET A 469 9.644 1.182 6.301 1.00 0.00 H new ATOM 0 HB2 MET A 469 8.815 0.416 8.544 1.00 0.00 H new ATOM 0 HB3 MET A 469 9.741 -1.059 8.341 1.00 0.00 H new ATOM 0 HG2 MET A 469 11.800 0.033 8.496 1.00 0.00 H new ATOM 0 HG3 MET A 469 11.144 1.576 7.986 1.00 0.00 H new ATOM 0 HE1 MET A 469 10.265 3.570 10.496 1.00 0.00 H new ATOM 0 HE2 MET A 469 9.524 2.793 9.078 1.00 0.00 H new ATOM 0 HE3 MET A 469 8.852 2.508 10.701 1.00 0.00 H new ATOM 473 N LEU A 470 11.768 0.187 5.469 1.00 0.00 N ATOM 474 CA LEU A 470 12.917 -0.325 4.735 1.00 0.00 C ATOM 475 C LEU A 470 13.771 -1.109 5.736 1.00 0.00 C ATOM 476 O LEU A 470 14.169 -0.539 6.753 1.00 0.00 O ATOM 477 CB LEU A 470 13.698 0.846 4.089 1.00 0.00 C ATOM 478 CG LEU A 470 14.626 0.415 2.940 1.00 0.00 C ATOM 479 CD1 LEU A 470 15.787 -0.446 3.434 1.00 0.00 C ATOM 480 CD2 LEU A 470 13.780 -0.304 1.890 1.00 0.00 C ATOM 0 H LEU A 470 11.869 1.161 5.755 1.00 0.00 H new ATOM 0 HA LEU A 470 12.616 -0.982 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 470 12.987 1.581 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.292 1.342 4.857 1.00 0.00 H new ATOM 0 HG LEU A 470 15.089 1.295 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.416 -0.727 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.378 0.119 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 470 15.396 -1.345 3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 470 14.417 -0.620 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 470 13.308 -1.178 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.011 0.372 1.517 1.00 0.00 H new ATOM 492 N LYS A 471 13.990 -2.414 5.513 1.00 0.00 N ATOM 493 CA LYS A 471 14.795 -3.251 6.406 1.00 0.00 C ATOM 494 C LYS A 471 16.278 -3.093 6.098 1.00 0.00 C ATOM 495 O LYS A 471 17.045 -2.751 7.003 1.00 0.00 O ATOM 496 CB LYS A 471 14.379 -4.728 6.340 1.00 0.00 C ATOM 497 CG LYS A 471 13.087 -4.987 7.121 1.00 0.00 C ATOM 498 CD LYS A 471 12.793 -6.483 7.287 1.00 0.00 C ATOM 499 CE LYS A 471 12.491 -7.175 5.953 1.00 0.00 C ATOM 500 NZ LYS A 471 12.251 -8.621 6.119 1.00 0.00 N ATOM 0 H LYS A 471 13.613 -2.915 4.709 1.00 0.00 H new ATOM 0 HA LYS A 471 14.612 -2.909 7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 471 14.240 -5.021 5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 471 15.179 -5.350 6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 471 13.161 -4.523 8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.253 -4.511 6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 471 13.648 -6.968 7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 471 11.944 -6.611 7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 471 11.616 -6.713 5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 471 13.326 -7.023 5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 12.051 -9.048 5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 13.095 -9.068 6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 11.438 -8.768 6.751 1.00 0.00 H new ATOM 514 N ALA A 472 16.701 -3.385 4.868 1.00 0.00 N ATOM 515 CA ALA A 472 18.086 -3.273 4.413 1.00 0.00 C ATOM 516 C ALA A 472 18.048 -3.018 2.909 1.00 0.00 C ATOM 517 O ALA A 472 17.069 -3.378 2.266 1.00 0.00 O ATOM 518 CB ALA A 472 18.844 -4.573 4.709 1.00 0.00 C ATOM 0 H ALA A 472 16.069 -3.716 4.139 1.00 0.00 H new ATOM 0 HA ALA A 472 18.598 -2.461 4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.874 -4.479 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.834 -4.764 5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 472 18.363 -5.401 4.189 1.00 0.00 H new ATOM 524 N GLN A 473 19.066 -2.406 2.315 1.00 0.00 N ATOM 525 CA GLN A 473 19.141 -2.116 0.883 1.00 0.00 C ATOM 526 C GLN A 473 20.487 -2.620 0.382 1.00 0.00 C ATOM 527 O GLN A 473 21.465 -2.578 1.130 1.00 0.00 O ATOM 528 CB GLN A 473 18.925 -0.604 0.651 1.00 0.00 C ATOM 529 CG GLN A 473 20.159 0.223 1.030 1.00 0.00 C ATOM 530 CD GLN A 473 19.809 1.665 1.338 1.00 0.00 C ATOM 531 OE1 GLN A 473 19.596 2.008 2.500 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.655 2.513 0.336 1.00 0.00 N ATOM 0 H GLN A 473 19.887 -2.087 2.829 1.00 0.00 H new ATOM 0 HA GLN A 473 18.358 -2.623 0.319 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.681 -0.430 -0.397 1.00 0.00 H new ATOM 0 HB3 GLN A 473 18.070 -0.267 1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 473 20.642 -0.225 1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.880 0.192 0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 473 19.836 2.210 -0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.355 3.470 0.520 1.00 0.00 H new ATOM 541 N LEU A 474 20.535 -3.161 -0.829 1.00 0.00 N ATOM 542 CA LEU A 474 21.770 -3.663 -1.424 1.00 0.00 C ATOM 543 C LEU A 474 22.510 -2.504 -2.092 1.00 0.00 C ATOM 544 O LEU A 474 23.725 -2.559 -2.253 1.00 0.00 O ATOM 545 CB LEU A 474 21.497 -4.743 -2.485 1.00 0.00 C ATOM 546 CG LEU A 474 20.544 -5.888 -2.090 1.00 0.00 C ATOM 547 CD1 LEU A 474 20.659 -7.005 -3.128 1.00 0.00 C ATOM 548 CD2 LEU A 474 20.797 -6.491 -0.704 1.00 0.00 C ATOM 0 H LEU A 474 19.717 -3.265 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 474 22.368 -4.106 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 474 21.090 -4.253 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 474 22.452 -5.182 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 474 19.548 -5.446 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 474 19.989 -7.822 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 474 20.385 -6.619 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 474 21.685 -7.372 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 474 20.077 -7.288 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 474 21.807 -6.898 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 474 20.686 -5.717 0.055 1.00 0.00 H new ATOM 560 N ASP A 475 21.778 -1.463 -2.480 1.00 0.00 N ATOM 561 CA ASP A 475 22.215 -0.246 -3.134 1.00 0.00 C ATOM 562 C ASP A 475 22.226 0.879 -2.104 1.00 0.00 C ATOM 563 O ASP A 475 21.371 1.757 -2.085 1.00 0.00 O ATOM 564 CB ASP A 475 21.294 0.071 -4.331 1.00 0.00 C ATOM 565 CG ASP A 475 19.790 0.198 -4.017 1.00 0.00 C ATOM 566 OD1 ASP A 475 19.333 -0.247 -2.940 1.00 0.00 O ATOM 567 OD2 ASP A 475 19.076 0.678 -4.931 1.00 0.00 O ATOM 0 H ASP A 475 20.770 -1.456 -2.327 1.00 0.00 H new ATOM 0 HA ASP A 475 23.223 -0.363 -3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 475 21.630 1.004 -4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 475 21.423 -0.711 -5.079 1.00 0.00 H new ATOM 572 N LEU A 476 23.232 0.903 -1.228 1.00 0.00 N ATOM 573 CA LEU A 476 23.338 1.937 -0.193 1.00 0.00 C ATOM 574 C LEU A 476 23.311 3.357 -0.750 1.00 0.00 C ATOM 575 O LEU A 476 22.904 4.286 -0.055 1.00 0.00 O ATOM 576 CB LEU A 476 24.614 1.739 0.634 1.00 0.00 C ATOM 577 CG LEU A 476 24.371 1.182 2.039 1.00 0.00 C ATOM 578 CD1 LEU A 476 23.502 2.112 2.896 1.00 0.00 C ATOM 579 CD2 LEU A 476 23.816 -0.243 1.966 1.00 0.00 C ATOM 0 H LEU A 476 23.987 0.217 -1.213 1.00 0.00 H new ATOM 0 HA LEU A 476 22.457 1.822 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.280 1.063 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 476 25.131 2.695 0.719 1.00 0.00 H new ATOM 0 HG LEU A 476 25.334 1.133 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 476 23.360 1.671 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 476 23.995 3.079 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 476 22.533 2.248 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 476 23.650 -0.621 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 476 22.872 -0.238 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.530 -0.886 1.451 1.00 0.00 H new ATOM 591 N SER A 477 23.760 3.532 -1.985 1.00 0.00 N ATOM 592 CA SER A 477 23.783 4.823 -2.641 1.00 0.00 C ATOM 593 C SER A 477 22.420 5.288 -3.155 1.00 0.00 C ATOM 594 O SER A 477 22.311 6.454 -3.543 1.00 0.00 O ATOM 595 CB SER A 477 24.761 4.746 -3.810 1.00 0.00 C ATOM 596 OG SER A 477 26.085 4.534 -3.354 1.00 0.00 O ATOM 0 H SER A 477 24.121 2.772 -2.561 1.00 0.00 H new ATOM 0 HA SER A 477 24.089 5.556 -1.895 1.00 0.00 H new ATOM 0 HB2 SER A 477 24.470 3.936 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 477 24.715 5.669 -4.388 1.00 0.00 H new ATOM 0 HG SER A 477 26.692 4.487 -4.122 1.00 0.00 H new ATOM 602 N VAL A 478 21.388 4.444 -3.138 1.00 0.00 N ATOM 603 CA VAL A 478 20.071 4.782 -3.649 1.00 0.00 C ATOM 604 C VAL A 478 19.003 4.289 -2.663 1.00 0.00 C ATOM 605 O VAL A 478 18.916 3.094 -2.397 1.00 0.00 O ATOM 606 CB VAL A 478 19.957 4.123 -5.037 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.605 4.390 -5.713 1.00 0.00 C ATOM 608 CG2 VAL A 478 21.054 4.594 -6.008 1.00 0.00 C ATOM 0 H VAL A 478 21.450 3.497 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 478 19.921 5.857 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 478 20.067 3.057 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.582 3.901 -6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 478 17.802 3.995 -5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.469 5.464 -5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 478 20.926 4.098 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.981 5.673 -6.143 1.00 0.00 H new ATOM 0 HG23 VAL A 478 22.033 4.345 -5.599 1.00 0.00 H new ATOM 618 N PRO A 479 18.191 5.173 -2.061 1.00 0.00 N ATOM 619 CA PRO A 479 17.161 4.743 -1.129 1.00 0.00 C ATOM 620 C PRO A 479 16.034 4.032 -1.877 1.00 0.00 C ATOM 621 O PRO A 479 15.945 4.128 -3.103 1.00 0.00 O ATOM 622 CB PRO A 479 16.650 6.019 -0.468 1.00 0.00 C ATOM 623 CG PRO A 479 16.901 7.088 -1.531 1.00 0.00 C ATOM 624 CD PRO A 479 18.155 6.609 -2.261 1.00 0.00 C ATOM 0 HA PRO A 479 17.546 4.038 -0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 479 15.593 5.945 -0.213 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.186 6.236 0.456 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.055 7.178 -2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.053 8.069 -1.080 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.111 6.857 -3.321 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.050 7.084 -1.859 1.00 0.00 H new ATOM 632 N CYS A 480 15.115 3.402 -1.146 1.00 0.00 N ATOM 633 CA CYS A 480 13.980 2.691 -1.719 1.00 0.00 C ATOM 634 C CYS A 480 12.659 3.286 -1.188 1.00 0.00 C ATOM 635 O CYS A 480 11.962 2.626 -0.416 1.00 0.00 O ATOM 636 CB CYS A 480 14.116 1.189 -1.450 1.00 0.00 C ATOM 637 SG CYS A 480 15.709 0.381 -1.803 1.00 0.00 S ATOM 0 H CYS A 480 15.141 3.373 -0.127 1.00 0.00 H new ATOM 0 HA CYS A 480 13.966 2.818 -2.802 1.00 0.00 H new ATOM 0 HB2 CYS A 480 13.884 1.019 -0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 480 13.349 0.678 -2.032 1.00 0.00 H new ATOM 642 N PRO A 481 12.281 4.507 -1.619 1.00 0.00 N ATOM 643 CA PRO A 481 11.074 5.239 -1.210 1.00 0.00 C ATOM 644 C PRO A 481 9.724 4.603 -1.577 1.00 0.00 C ATOM 645 O PRO A 481 8.681 5.190 -1.274 1.00 0.00 O ATOM 646 CB PRO A 481 11.220 6.634 -1.830 1.00 0.00 C ATOM 647 CG PRO A 481 12.064 6.355 -3.066 1.00 0.00 C ATOM 648 CD PRO A 481 13.046 5.333 -2.533 1.00 0.00 C ATOM 0 HA PRO A 481 11.029 5.242 -0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.254 7.068 -2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 481 11.711 7.331 -1.151 1.00 0.00 H new ATOM 0 HG2 PRO A 481 11.468 5.962 -3.890 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.563 7.252 -3.433 1.00 0.00 H new ATOM 0 HD2 PRO A 481 13.470 4.737 -3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 481 13.879 5.817 -2.023 1.00 0.00 H new ATOM 656 N ASP A 482 9.699 3.423 -2.208 1.00 0.00 N ATOM 657 CA ASP A 482 8.480 2.693 -2.592 1.00 0.00 C ATOM 658 C ASP A 482 7.775 2.097 -1.369 1.00 0.00 C ATOM 659 O ASP A 482 6.958 1.188 -1.474 1.00 0.00 O ATOM 660 CB ASP A 482 8.799 1.587 -3.618 1.00 0.00 C ATOM 661 CG ASP A 482 8.429 2.045 -5.032 1.00 0.00 C ATOM 662 OD1 ASP A 482 9.022 3.026 -5.551 1.00 0.00 O ATOM 663 OD2 ASP A 482 7.503 1.436 -5.611 1.00 0.00 O ATOM 0 H ASP A 482 10.553 2.932 -2.475 1.00 0.00 H new ATOM 0 HA ASP A 482 7.803 3.411 -3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.859 1.338 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 482 8.249 0.680 -3.367 1.00 0.00 H new ATOM 668 N THR A 483 8.139 2.534 -0.175 1.00 0.00 N ATOM 669 CA THR A 483 7.649 2.150 1.132 1.00 0.00 C ATOM 670 C THR A 483 6.193 2.537 1.364 1.00 0.00 C ATOM 671 O THR A 483 5.744 2.443 2.496 1.00 0.00 O ATOM 672 CB THR A 483 8.655 2.706 2.170 1.00 0.00 C ATOM 673 OG1 THR A 483 9.223 3.938 1.752 1.00 0.00 O ATOM 674 CG2 THR A 483 9.833 1.723 2.251 1.00 0.00 C ATOM 0 H THR A 483 8.866 3.245 -0.093 1.00 0.00 H new ATOM 0 HA THR A 483 7.608 1.065 1.231 1.00 0.00 H new ATOM 0 HB THR A 483 8.121 2.841 3.111 1.00 0.00 H new ATOM 0 HG1 THR A 483 9.851 4.257 2.434 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.561 2.087 2.976 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.469 0.744 2.563 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.305 1.640 1.272 1.00 0.00 H new ATOM 682 N GLN A 484 5.434 2.920 0.340 1.00 0.00 N ATOM 683 CA GLN A 484 4.033 3.308 0.424 1.00 0.00 C ATOM 684 C GLN A 484 3.252 2.749 -0.761 1.00 0.00 C ATOM 685 O GLN A 484 3.827 2.511 -1.824 1.00 0.00 O ATOM 686 CB GLN A 484 3.917 4.836 0.479 1.00 0.00 C ATOM 687 CG GLN A 484 4.791 5.545 -0.571 1.00 0.00 C ATOM 688 CD GLN A 484 4.450 7.019 -0.741 1.00 0.00 C ATOM 689 OE1 GLN A 484 4.534 7.549 -1.847 1.00 0.00 O ATOM 690 NE2 GLN A 484 4.041 7.700 0.316 1.00 0.00 N ATOM 0 H GLN A 484 5.797 2.970 -0.612 1.00 0.00 H new ATOM 0 HA GLN A 484 3.605 2.893 1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 484 2.876 5.121 0.329 1.00 0.00 H new ATOM 0 HB3 GLN A 484 4.202 5.181 1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 484 5.839 5.452 -0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 484 4.677 5.040 -1.530 1.00 0.00 H new ATOM 0 HE21 GLN A 484 3.978 7.242 1.225 1.00 0.00 H new ATOM 0 HE22 GLN A 484 3.788 8.684 0.222 1.00 0.00 H new ATOM 699 N ASP A 485 1.948 2.540 -0.575 1.00 0.00 N ATOM 700 CA ASP A 485 1.053 2.025 -1.619 1.00 0.00 C ATOM 701 C ASP A 485 -0.400 2.462 -1.364 1.00 0.00 C ATOM 702 O ASP A 485 -0.769 2.683 -0.206 1.00 0.00 O ATOM 703 CB ASP A 485 1.181 0.500 -1.684 1.00 0.00 C ATOM 704 CG ASP A 485 0.668 -0.147 -2.963 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.246 0.556 -3.906 1.00 0.00 O ATOM 706 OD2 ASP A 485 0.744 -1.396 -3.052 1.00 0.00 O ATOM 0 H ASP A 485 1.477 2.724 0.311 1.00 0.00 H new ATOM 0 HA ASP A 485 1.343 2.442 -2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.231 0.235 -1.560 1.00 0.00 H new ATOM 0 HB3 ASP A 485 0.642 0.071 -0.839 1.00 0.00 H new ATOM 711 N PHE A 486 -1.226 2.571 -2.416 1.00 0.00 N ATOM 712 CA PHE A 486 -2.630 2.991 -2.369 1.00 0.00 C ATOM 713 C PHE A 486 -3.512 2.096 -3.243 1.00 0.00 C ATOM 714 O PHE A 486 -3.357 2.106 -4.471 1.00 0.00 O ATOM 715 CB PHE A 486 -2.803 4.442 -2.858 1.00 0.00 C ATOM 716 CG PHE A 486 -2.289 5.535 -1.940 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.909 5.722 -1.724 1.00 0.00 C ATOM 718 CD2 PHE A 486 -3.210 6.409 -1.332 1.00 0.00 C ATOM 719 CE1 PHE A 486 -0.457 6.742 -0.868 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.756 7.455 -0.515 1.00 0.00 C ATOM 721 CZ PHE A 486 -1.382 7.618 -0.273 1.00 0.00 C ATOM 0 H PHE A 486 -0.917 2.358 -3.364 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.935 2.911 -1.326 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -2.299 4.540 -3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.864 4.617 -3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 486 -0.195 5.079 -2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -4.269 6.274 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 486 0.599 6.852 -0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -3.465 8.137 -0.071 1.00 0.00 H new ATOM 0 HZ PHE A 486 -1.037 8.415 0.369 1.00 0.00 H new ATOM 731 N GLN A 487 -4.432 1.328 -2.643 1.00 0.00 N ATOM 732 CA GLN A 487 -5.360 0.438 -3.353 1.00 0.00 C ATOM 733 C GLN A 487 -6.815 0.830 -3.073 1.00 0.00 C ATOM 734 O GLN A 487 -7.097 1.461 -2.043 1.00 0.00 O ATOM 735 CB GLN A 487 -5.147 -1.041 -2.989 1.00 0.00 C ATOM 736 CG GLN A 487 -4.209 -1.756 -3.964 1.00 0.00 C ATOM 737 CD GLN A 487 -2.753 -1.398 -3.736 1.00 0.00 C ATOM 738 OE1 GLN A 487 -2.139 -1.894 -2.798 1.00 0.00 O ATOM 739 NE2 GLN A 487 -2.168 -0.579 -4.588 1.00 0.00 N ATOM 0 H GLN A 487 -4.554 1.308 -1.631 1.00 0.00 H new ATOM 0 HA GLN A 487 -5.149 0.556 -4.416 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.738 -1.108 -1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -6.110 -1.551 -2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -4.335 -2.834 -3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -4.487 -1.499 -4.986 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -2.702 -0.180 -5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -1.182 -0.345 -4.475 1.00 0.00 H new ATOM 748 N PRO A 488 -7.752 0.400 -3.942 1.00 0.00 N ATOM 749 CA PRO A 488 -9.162 0.708 -3.792 1.00 0.00 C ATOM 750 C PRO A 488 -9.764 0.080 -2.534 1.00 0.00 C ATOM 751 O PRO A 488 -9.207 -0.863 -1.956 1.00 0.00 O ATOM 752 CB PRO A 488 -9.842 0.173 -5.061 1.00 0.00 C ATOM 753 CG PRO A 488 -8.906 -0.929 -5.539 1.00 0.00 C ATOM 754 CD PRO A 488 -7.542 -0.353 -5.176 1.00 0.00 C ATOM 0 HA PRO A 488 -9.312 1.781 -3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.839 -0.213 -4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.957 0.954 -5.813 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -9.098 -1.876 -5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -9.002 -1.112 -6.609 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.807 -1.145 -5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -7.164 0.292 -5.970 1.00 0.00 H new ATOM 762 N CYS A 489 -10.920 0.596 -2.114 1.00 0.00 N ATOM 763 CA CYS A 489 -11.647 0.103 -0.958 1.00 0.00 C ATOM 764 C CYS A 489 -13.133 0.419 -1.089 1.00 0.00 C ATOM 765 O CYS A 489 -13.548 1.073 -2.046 1.00 0.00 O ATOM 766 CB CYS A 489 -11.074 0.774 0.285 1.00 0.00 C ATOM 767 SG CYS A 489 -11.725 2.405 0.736 1.00 0.00 S ATOM 0 H CYS A 489 -11.379 1.380 -2.579 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.540 -0.979 -0.885 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -11.231 0.104 1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -9.997 0.868 0.149 1.00 0.00 H new ATOM 772 N MET A 490 -13.923 -0.016 -0.114 1.00 0.00 N ATOM 773 CA MET A 490 -15.359 0.196 0.004 1.00 0.00 C ATOM 774 C MET A 490 -15.559 0.549 1.472 1.00 0.00 C ATOM 775 O MET A 490 -15.009 -0.148 2.334 1.00 0.00 O ATOM 776 CB MET A 490 -16.169 -1.076 -0.311 1.00 0.00 C ATOM 777 CG MET A 490 -16.079 -1.562 -1.762 1.00 0.00 C ATOM 778 SD MET A 490 -16.281 -3.363 -1.980 1.00 0.00 S ATOM 779 CE MET A 490 -17.925 -3.705 -1.274 1.00 0.00 C ATOM 0 H MET A 490 -13.553 -0.561 0.665 1.00 0.00 H new ATOM 0 HA MET A 490 -15.699 0.959 -0.696 1.00 0.00 H new ATOM 0 HB2 MET A 490 -15.829 -1.877 0.346 1.00 0.00 H new ATOM 0 HB3 MET A 490 -17.216 -0.890 -0.071 1.00 0.00 H new ATOM 0 HG2 MET A 490 -16.842 -1.051 -2.349 1.00 0.00 H new ATOM 0 HG3 MET A 490 -15.112 -1.267 -2.170 1.00 0.00 H new ATOM 0 HE1 MET A 490 -18.142 -4.770 -1.357 1.00 0.00 H new ATOM 0 HE2 MET A 490 -17.938 -3.413 -0.224 1.00 0.00 H new ATOM 0 HE3 MET A 490 -18.680 -3.137 -1.818 1.00 0.00 H new ATOM 789 N GLY A 491 -16.276 1.631 1.765 1.00 0.00 N ATOM 790 CA GLY A 491 -16.538 2.020 3.141 1.00 0.00 C ATOM 791 C GLY A 491 -17.512 1.018 3.782 1.00 0.00 C ATOM 792 O GLY A 491 -18.066 0.156 3.091 1.00 0.00 O ATOM 0 H GLY A 491 -16.684 2.251 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -15.606 2.049 3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -16.961 3.024 3.172 1.00 0.00 H new