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 467 GLN : amide:sc=-0.00107 X(o=-0.0011,f=-0.25) USER MOD Set 1.2: A 469 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.0575 USER MOD Single : A 445 TYR OH : rot -166:sc= 1.23 USER MOD Single : A 446 SER OG : rot 82:sc= 0.173 USER MOD Single : A 447 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 449 SER OG : rot 96:sc=0.000491 USER MOD Single : A 452 SER OG : rot -84:sc= 0.122 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 SER OG : rot -175:sc= 0.499 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 CYS SG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ 177:sc= 1.41 (180deg=1.34) USER MOD Single : A 463 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00506) USER MOD Single : A 465 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 GLN : amide:sc= 0.626 K(o=0.63,f=0) USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.0824 USER MOD Single : A 484 GLN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 487 GLN : amide:sc= 0.646 K(o=0.65,f=0) USER MOD Single : A 490 MET CE :methyl 163:sc= -0.0105 (180deg=-0.195) USER MOD ----------------------------------------------------------------- ATOM 19 N GLU A 441 13.302 -5.874 -5.550 1.00 0.00 N ATOM 20 CA GLU A 441 14.432 -6.793 -5.506 1.00 0.00 C ATOM 21 C GLU A 441 15.765 -6.144 -5.117 1.00 0.00 C ATOM 22 O GLU A 441 16.703 -6.843 -4.740 1.00 0.00 O ATOM 23 CB GLU A 441 14.527 -7.410 -6.900 1.00 0.00 C ATOM 24 CG GLU A 441 15.047 -6.418 -7.957 1.00 0.00 C ATOM 25 CD GLU A 441 14.473 -6.728 -9.330 1.00 0.00 C ATOM 26 OE1 GLU A 441 14.994 -7.651 -10.000 1.00 0.00 O ATOM 27 OE2 GLU A 441 13.490 -6.054 -9.717 1.00 0.00 O ATOM 0 HA GLU A 441 14.254 -7.531 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 441 15.188 -8.276 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 441 13.544 -7.772 -7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 441 14.779 -5.402 -7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 441 16.135 -6.462 -7.996 1.00 0.00 H new ATOM 34 N THR A 442 15.867 -4.820 -5.225 1.00 0.00 N ATOM 35 CA THR A 442 17.047 -4.023 -4.879 1.00 0.00 C ATOM 36 C THR A 442 16.859 -3.388 -3.496 1.00 0.00 C ATOM 37 O THR A 442 17.651 -2.561 -3.044 1.00 0.00 O ATOM 38 CB THR A 442 17.231 -2.898 -5.908 1.00 0.00 C ATOM 39 OG1 THR A 442 15.973 -2.345 -6.260 1.00 0.00 O ATOM 40 CG2 THR A 442 17.914 -3.417 -7.167 1.00 0.00 C ATOM 0 H THR A 442 15.097 -4.247 -5.571 1.00 0.00 H new ATOM 0 HA THR A 442 17.921 -4.675 -4.874 1.00 0.00 H new ATOM 0 HB THR A 442 17.858 -2.131 -5.454 1.00 0.00 H new ATOM 0 HG1 THR A 442 16.103 -1.628 -6.915 1.00 0.00 H new ATOM 0 HG21 THR A 442 18.032 -2.601 -7.880 1.00 0.00 H new ATOM 0 HG22 THR A 442 18.894 -3.819 -6.910 1.00 0.00 H new ATOM 0 HG23 THR A 442 17.305 -4.203 -7.614 1.00 0.00 H new ATOM 48 N CYS A 443 15.776 -3.765 -2.827 1.00 0.00 N ATOM 49 CA CYS A 443 15.333 -3.282 -1.545 1.00 0.00 C ATOM 50 C CYS A 443 14.669 -4.432 -0.810 1.00 0.00 C ATOM 51 O CYS A 443 13.982 -5.245 -1.428 1.00 0.00 O ATOM 52 CB CYS A 443 14.288 -2.202 -1.834 1.00 0.00 C ATOM 53 SG CYS A 443 14.853 -0.776 -2.801 1.00 0.00 S ATOM 0 H CYS A 443 15.143 -4.471 -3.204 1.00 0.00 H new ATOM 0 HA CYS A 443 16.154 -2.891 -0.944 1.00 0.00 H new ATOM 0 HB2 CYS A 443 13.455 -2.665 -2.362 1.00 0.00 H new ATOM 0 HB3 CYS A 443 13.900 -1.838 -0.883 1.00 0.00 H new ATOM 58 N ILE A 444 14.841 -4.473 0.505 1.00 0.00 N ATOM 59 CA ILE A 444 14.290 -5.475 1.395 1.00 0.00 C ATOM 60 C ILE A 444 13.503 -4.653 2.402 1.00 0.00 C ATOM 61 O ILE A 444 14.061 -4.115 3.357 1.00 0.00 O ATOM 62 CB ILE A 444 15.411 -6.337 2.017 1.00 0.00 C ATOM 63 CG1 ILE A 444 16.340 -7.014 0.984 1.00 0.00 C ATOM 64 CG2 ILE A 444 14.807 -7.380 2.965 1.00 0.00 C ATOM 65 CD1 ILE A 444 15.665 -8.031 0.054 1.00 0.00 C ATOM 0 H ILE A 444 15.395 -3.773 0.999 1.00 0.00 H new ATOM 0 HA ILE A 444 13.650 -6.209 0.904 1.00 0.00 H new ATOM 0 HB ILE A 444 16.048 -5.649 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 444 16.800 -6.238 0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 444 17.145 -7.517 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.605 -7.983 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 444 14.260 -6.875 3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 444 14.126 -8.025 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 444 16.405 -8.446 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 444 15.230 -8.835 0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 444 14.880 -7.536 -0.518 1.00 0.00 H new ATOM 77 N TYR A 445 12.206 -4.493 2.170 1.00 0.00 N ATOM 78 CA TYR A 445 11.343 -3.711 3.041 1.00 0.00 C ATOM 79 C TYR A 445 10.627 -4.599 4.057 1.00 0.00 C ATOM 80 O TYR A 445 10.509 -5.814 3.869 1.00 0.00 O ATOM 81 CB TYR A 445 10.274 -2.989 2.211 1.00 0.00 C ATOM 82 CG TYR A 445 10.645 -2.473 0.833 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.720 -3.376 -0.245 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.816 -1.094 0.603 1.00 0.00 C ATOM 85 CE1 TYR A 445 10.992 -2.908 -1.537 1.00 0.00 C ATOM 86 CE2 TYR A 445 11.076 -0.623 -0.696 1.00 0.00 C ATOM 87 CZ TYR A 445 11.150 -1.530 -1.780 1.00 0.00 C ATOM 88 OH TYR A 445 11.397 -1.125 -3.054 1.00 0.00 O ATOM 0 H TYR A 445 11.724 -4.903 1.370 1.00 0.00 H new ATOM 0 HA TYR A 445 11.975 -2.995 3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.432 -3.671 2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.918 -2.141 2.796 1.00 0.00 H new ATOM 0 HD1 TYR A 445 10.567 -4.432 -0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.747 -0.397 1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 445 11.081 -3.610 -2.353 1.00 0.00 H new ATOM 0 HE2 TYR A 445 11.220 0.434 -0.867 1.00 0.00 H new ATOM 0 HH TYR A 445 11.708 -0.196 -3.047 1.00 0.00 H new ATOM 98 N SER A 446 10.096 -3.975 5.103 1.00 0.00 N ATOM 99 CA SER A 446 9.341 -4.589 6.188 1.00 0.00 C ATOM 100 C SER A 446 8.006 -5.150 5.686 1.00 0.00 C ATOM 101 O SER A 446 7.614 -4.963 4.527 1.00 0.00 O ATOM 102 CB SER A 446 9.085 -3.528 7.265 1.00 0.00 C ATOM 103 OG SER A 446 10.280 -2.848 7.583 1.00 0.00 O ATOM 0 H SER A 446 10.187 -2.966 5.223 1.00 0.00 H new ATOM 0 HA SER A 446 9.918 -5.418 6.598 1.00 0.00 H new ATOM 0 HB2 SER A 446 8.338 -2.817 6.913 1.00 0.00 H new ATOM 0 HB3 SER A 446 8.679 -4.000 8.160 1.00 0.00 H new ATOM 0 HG SER A 446 10.443 -2.145 6.920 1.00 0.00 H new ATOM 109 N ASN A 447 7.294 -5.860 6.562 1.00 0.00 N ATOM 110 CA ASN A 447 6.004 -6.434 6.224 1.00 0.00 C ATOM 111 C ASN A 447 4.983 -5.290 6.245 1.00 0.00 C ATOM 112 O ASN A 447 4.803 -4.652 7.287 1.00 0.00 O ATOM 113 CB ASN A 447 5.661 -7.579 7.187 1.00 0.00 C ATOM 114 CG ASN A 447 4.809 -8.604 6.464 1.00 0.00 C ATOM 115 OD1 ASN A 447 3.585 -8.514 6.418 1.00 0.00 O ATOM 116 ND2 ASN A 447 5.440 -9.587 5.844 1.00 0.00 N ATOM 0 H ASN A 447 7.598 -6.049 7.517 1.00 0.00 H new ATOM 0 HA ASN A 447 6.005 -6.883 5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 447 6.575 -8.044 7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 447 5.127 -7.192 8.055 1.00 0.00 H new ATOM 0 HD21 ASN A 447 4.910 -10.283 5.319 1.00 0.00 H new ATOM 0 HD22 ASN A 447 6.457 -9.650 5.891 1.00 0.00 H new ATOM 123 N TRP A 448 4.339 -4.998 5.112 1.00 0.00 N ATOM 124 CA TRP A 448 3.360 -3.918 4.973 1.00 0.00 C ATOM 125 C TRP A 448 2.374 -3.825 6.128 1.00 0.00 C ATOM 126 O TRP A 448 1.836 -4.847 6.557 1.00 0.00 O ATOM 127 CB TRP A 448 2.521 -4.094 3.704 1.00 0.00 C ATOM 128 CG TRP A 448 3.159 -3.735 2.407 1.00 0.00 C ATOM 129 CD1 TRP A 448 3.448 -4.592 1.407 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.475 -2.407 1.903 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.939 -3.890 0.327 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.994 -2.538 0.583 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.342 -1.102 2.420 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.435 -1.435 -0.158 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.752 0.012 1.667 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.358 -0.155 0.413 1.00 0.00 C ATOM 0 H TRP A 448 4.487 -5.518 4.247 1.00 0.00 H new ATOM 0 HA TRP A 448 3.964 -3.011 4.944 1.00 0.00 H new ATOM 0 HB2 TRP A 448 2.208 -5.137 3.649 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.617 -3.495 3.812 1.00 0.00 H new ATOM 0 HD1 TRP A 448 3.315 -5.663 1.446 1.00 0.00 H new ATOM 0 HE1 TRP A 448 4.226 -4.319 -0.553 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.921 -0.957 3.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.829 -1.567 -1.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.599 1.007 2.058 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.764 0.698 -0.111 1.00 0.00 H new ATOM 147 N SER A 449 2.137 -2.607 6.615 1.00 0.00 N ATOM 148 CA SER A 449 1.176 -2.385 7.681 1.00 0.00 C ATOM 149 C SER A 449 -0.232 -2.650 7.112 1.00 0.00 C ATOM 150 O SER A 449 -0.415 -2.662 5.882 1.00 0.00 O ATOM 151 CB SER A 449 1.287 -0.930 8.140 1.00 0.00 C ATOM 152 OG SER A 449 2.475 -0.703 8.876 1.00 0.00 O ATOM 0 H SER A 449 2.601 -1.761 6.284 1.00 0.00 H new ATOM 0 HA SER A 449 1.365 -3.045 8.527 1.00 0.00 H new ATOM 0 HB2 SER A 449 1.265 -0.272 7.272 1.00 0.00 H new ATOM 0 HB3 SER A 449 0.424 -0.675 8.755 1.00 0.00 H new ATOM 0 HG SER A 449 3.167 -0.349 8.279 1.00 0.00 H new ATOM 158 N PRO A 450 -1.248 -2.871 7.961 1.00 0.00 N ATOM 159 CA PRO A 450 -2.599 -3.100 7.483 1.00 0.00 C ATOM 160 C PRO A 450 -3.113 -1.785 6.899 1.00 0.00 C ATOM 161 O PRO A 450 -2.650 -0.695 7.261 1.00 0.00 O ATOM 162 CB PRO A 450 -3.403 -3.554 8.702 1.00 0.00 C ATOM 163 CG PRO A 450 -2.672 -2.871 9.855 1.00 0.00 C ATOM 164 CD PRO A 450 -1.212 -2.897 9.414 1.00 0.00 C ATOM 0 HA PRO A 450 -2.671 -3.857 6.702 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -4.445 -3.241 8.640 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -3.402 -4.639 8.807 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -3.027 -1.852 10.008 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -2.817 -3.404 10.795 1.00 0.00 H new ATOM 0 HD2 PRO A 450 -0.667 -2.040 9.809 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.707 -3.792 9.779 1.00 0.00 H new ATOM 172 N TRP A 451 -4.059 -1.879 5.975 1.00 0.00 N ATOM 173 CA TRP A 451 -4.641 -0.714 5.341 1.00 0.00 C ATOM 174 C TRP A 451 -5.341 0.158 6.380 1.00 0.00 C ATOM 175 O TRP A 451 -5.984 -0.364 7.295 1.00 0.00 O ATOM 176 CB TRP A 451 -5.644 -1.194 4.300 1.00 0.00 C ATOM 177 CG TRP A 451 -5.051 -1.808 3.069 1.00 0.00 C ATOM 178 CD1 TRP A 451 -5.171 -3.095 2.676 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.256 -1.159 2.040 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.486 -3.287 1.493 1.00 0.00 N ATOM 181 CE2 TRP A 451 -3.900 -2.120 1.053 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.798 0.155 1.853 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.114 -1.786 -0.058 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -3.020 0.506 0.740 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.669 -0.463 -0.214 1.00 0.00 C ATOM 0 H TRP A 451 -4.441 -2.766 5.647 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.862 -0.117 4.867 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -6.305 -1.924 4.767 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -6.264 -0.349 4.001 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.720 -3.858 3.207 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.422 -4.181 1.006 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -4.050 0.911 2.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -2.853 -2.539 -0.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.689 1.527 0.616 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.060 -0.192 -1.064 1.00 0.00 H new ATOM 196 N SER A 452 -5.240 1.476 6.237 1.00 0.00 N ATOM 197 CA SER A 452 -5.856 2.438 7.121 1.00 0.00 C ATOM 198 C SER A 452 -7.345 2.566 6.782 1.00 0.00 C ATOM 199 O SER A 452 -7.910 1.772 6.013 1.00 0.00 O ATOM 200 CB SER A 452 -5.120 3.772 6.929 1.00 0.00 C ATOM 201 OG SER A 452 -5.282 4.257 5.609 1.00 0.00 O ATOM 0 H SER A 452 -4.711 1.908 5.479 1.00 0.00 H new ATOM 0 HA SER A 452 -5.784 2.127 8.163 1.00 0.00 H new ATOM 0 HB2 SER A 452 -5.500 4.506 7.639 1.00 0.00 H new ATOM 0 HB3 SER A 452 -4.060 3.640 7.144 1.00 0.00 H new ATOM 0 HG SER A 452 -4.614 3.842 5.024 1.00 0.00 H new ATOM 207 N ALA A 453 -7.995 3.549 7.399 1.00 0.00 N ATOM 208 CA ALA A 453 -9.389 3.855 7.178 1.00 0.00 C ATOM 209 C ALA A 453 -9.528 4.227 5.705 1.00 0.00 C ATOM 210 O ALA A 453 -8.833 5.129 5.228 1.00 0.00 O ATOM 211 CB ALA A 453 -9.755 5.034 8.071 1.00 0.00 C ATOM 0 H ALA A 453 -7.549 4.164 8.080 1.00 0.00 H new ATOM 0 HA ALA A 453 -10.047 3.018 7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.805 5.289 7.925 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -9.588 4.766 9.114 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -9.134 5.892 7.813 1.00 0.00 H new ATOM 217 N CYS A 454 -10.385 3.528 4.963 1.00 0.00 N ATOM 218 CA CYS A 454 -10.559 3.829 3.558 1.00 0.00 C ATOM 219 C CYS A 454 -11.073 5.250 3.386 1.00 0.00 C ATOM 220 O CYS A 454 -11.943 5.709 4.133 1.00 0.00 O ATOM 221 CB CYS A 454 -11.534 2.864 2.912 1.00 0.00 C ATOM 222 SG CYS A 454 -11.070 1.124 2.939 1.00 0.00 S ATOM 0 H CYS A 454 -10.959 2.761 5.312 1.00 0.00 H new ATOM 0 HA CYS A 454 -9.589 3.728 3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -12.499 2.969 3.409 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -11.676 3.164 1.874 1.00 0.00 H new ATOM 227 N SER A 455 -10.563 5.910 2.351 1.00 0.00 N ATOM 228 CA SER A 455 -10.913 7.279 1.986 1.00 0.00 C ATOM 229 C SER A 455 -12.417 7.400 1.728 1.00 0.00 C ATOM 230 O SER A 455 -12.972 8.482 1.903 1.00 0.00 O ATOM 231 CB SER A 455 -10.095 7.725 0.761 1.00 0.00 C ATOM 232 OG SER A 455 -9.555 9.026 0.913 1.00 0.00 O ATOM 0 H SER A 455 -9.874 5.495 1.724 1.00 0.00 H new ATOM 0 HA SER A 455 -10.667 7.941 2.817 1.00 0.00 H new ATOM 0 HB2 SER A 455 -9.284 7.016 0.592 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.730 7.700 -0.125 1.00 0.00 H new ATOM 0 HG SER A 455 -9.043 9.264 0.112 1.00 0.00 H new ATOM 238 N SER A 456 -13.065 6.325 1.262 1.00 0.00 N ATOM 239 CA SER A 456 -14.493 6.337 1.016 1.00 0.00 C ATOM 240 C SER A 456 -15.210 5.861 2.268 1.00 0.00 C ATOM 241 O SER A 456 -15.005 4.735 2.721 1.00 0.00 O ATOM 242 CB SER A 456 -14.909 5.456 -0.163 1.00 0.00 C ATOM 243 OG SER A 456 -14.799 6.156 -1.364 1.00 0.00 O ATOM 0 H SER A 456 -12.611 5.437 1.050 1.00 0.00 H new ATOM 0 HA SER A 456 -14.768 7.361 0.762 1.00 0.00 H new ATOM 0 HB2 SER A 456 -14.282 4.565 -0.197 1.00 0.00 H new ATOM 0 HB3 SER A 456 -15.936 5.118 -0.026 1.00 0.00 H new ATOM 0 HG SER A 456 -15.148 5.606 -2.096 1.00 0.00 H new ATOM 249 N SER A 457 -16.011 6.740 2.848 1.00 0.00 N ATOM 250 CA SER A 457 -16.816 6.439 4.019 1.00 0.00 C ATOM 251 C SER A 457 -18.146 5.806 3.567 1.00 0.00 C ATOM 252 O SER A 457 -18.963 5.447 4.415 1.00 0.00 O ATOM 253 CB SER A 457 -17.089 7.740 4.776 1.00 0.00 C ATOM 254 OG SER A 457 -15.913 8.255 5.374 1.00 0.00 O ATOM 0 H SER A 457 -16.121 7.697 2.513 1.00 0.00 H new ATOM 0 HA SER A 457 -16.290 5.741 4.671 1.00 0.00 H new ATOM 0 HB2 SER A 457 -17.503 8.480 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 457 -17.841 7.563 5.545 1.00 0.00 H new ATOM 0 HG SER A 457 -16.124 9.087 5.847 1.00 0.00 H new ATOM 260 N THR A 458 -18.360 5.664 2.252 1.00 0.00 N ATOM 261 CA THR A 458 -19.549 5.121 1.619 1.00 0.00 C ATOM 262 C THR A 458 -19.172 4.095 0.547 1.00 0.00 C ATOM 263 O THR A 458 -17.991 3.885 0.261 1.00 0.00 O ATOM 264 CB THR A 458 -20.338 6.307 1.026 1.00 0.00 C ATOM 265 OG1 THR A 458 -19.514 7.168 0.253 1.00 0.00 O ATOM 266 CG2 THR A 458 -21.000 7.143 2.114 1.00 0.00 C ATOM 0 H THR A 458 -17.658 5.946 1.567 1.00 0.00 H new ATOM 0 HA THR A 458 -20.168 4.593 2.344 1.00 0.00 H new ATOM 0 HB THR A 458 -21.098 5.860 0.385 1.00 0.00 H new ATOM 0 HG1 THR A 458 -20.054 7.904 -0.104 1.00 0.00 H new ATOM 0 HG21 THR A 458 -21.546 7.968 1.657 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.692 6.520 2.681 1.00 0.00 H new ATOM 0 HG23 THR A 458 -20.237 7.539 2.783 1.00 0.00 H new ATOM 274 N CYS A 459 -20.169 3.476 -0.091 1.00 0.00 N ATOM 275 CA CYS A 459 -19.996 2.479 -1.144 1.00 0.00 C ATOM 276 C CYS A 459 -19.297 3.027 -2.401 1.00 0.00 C ATOM 277 O CYS A 459 -19.034 2.266 -3.336 1.00 0.00 O ATOM 278 CB CYS A 459 -21.376 1.877 -1.477 1.00 0.00 C ATOM 279 SG CYS A 459 -21.469 0.346 -2.460 1.00 0.00 S ATOM 0 H CYS A 459 -21.149 3.663 0.120 1.00 0.00 H new ATOM 0 HA CYS A 459 -19.327 1.703 -0.771 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -21.889 1.692 -0.533 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -21.947 2.640 -2.005 1.00 0.00 H new ATOM 0 HG CYS A 459 -22.714 0.011 -2.624 1.00 0.00 H new ATOM 284 N GLU A 460 -19.049 4.337 -2.503 1.00 0.00 N ATOM 285 CA GLU A 460 -18.375 4.898 -3.668 1.00 0.00 C ATOM 286 C GLU A 460 -16.935 4.375 -3.695 1.00 0.00 C ATOM 287 O GLU A 460 -16.307 4.217 -2.642 1.00 0.00 O ATOM 288 CB GLU A 460 -18.439 6.435 -3.645 1.00 0.00 C ATOM 289 CG GLU A 460 -17.352 7.117 -2.807 1.00 0.00 C ATOM 290 CD GLU A 460 -17.464 8.638 -2.799 1.00 0.00 C ATOM 291 OE1 GLU A 460 -17.586 9.249 -3.886 1.00 0.00 O ATOM 292 OE2 GLU A 460 -17.361 9.250 -1.715 1.00 0.00 O ATOM 0 H GLU A 460 -19.306 5.023 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 460 -18.876 4.584 -4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -18.370 6.802 -4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -19.414 6.737 -3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -17.409 6.750 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -16.373 6.833 -3.194 1.00 0.00 H new ATOM 299 N LYS A 461 -16.384 4.114 -4.881 1.00 0.00 N ATOM 300 CA LYS A 461 -15.011 3.627 -4.967 1.00 0.00 C ATOM 301 C LYS A 461 -14.068 4.712 -4.456 1.00 0.00 C ATOM 302 O LYS A 461 -14.068 5.838 -4.956 1.00 0.00 O ATOM 303 CB LYS A 461 -14.628 3.250 -6.402 1.00 0.00 C ATOM 304 CG LYS A 461 -15.009 1.816 -6.799 1.00 0.00 C ATOM 305 CD LYS A 461 -13.993 0.771 -6.301 1.00 0.00 C ATOM 306 CE LYS A 461 -14.415 -0.610 -6.813 1.00 0.00 C ATOM 307 NZ LYS A 461 -13.628 -1.724 -6.246 1.00 0.00 N ATOM 0 H LYS A 461 -16.857 4.229 -5.777 1.00 0.00 H new ATOM 0 HA LYS A 461 -14.929 2.728 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -15.110 3.945 -7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -13.552 3.375 -6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -15.993 1.581 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -15.087 1.752 -7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -12.993 1.017 -6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -13.952 0.773 -5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -15.468 -0.767 -6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -14.322 -0.628 -7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -14.002 -2.628 -6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -12.633 -1.627 -6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -13.694 -1.703 -5.208 1.00 0.00 H new ATOM 321 N GLY A 462 -13.279 4.355 -3.458 1.00 0.00 N ATOM 322 CA GLY A 462 -12.274 5.153 -2.786 1.00 0.00 C ATOM 323 C GLY A 462 -10.974 4.387 -2.867 1.00 0.00 C ATOM 324 O GLY A 462 -10.749 3.626 -3.812 1.00 0.00 O ATOM 0 H GLY A 462 -13.332 3.416 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -12.176 6.129 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.553 5.330 -1.747 1.00 0.00 H new ATOM 328 N LYS A 463 -10.103 4.571 -1.879 1.00 0.00 N ATOM 329 CA LYS A 463 -8.799 3.922 -1.769 1.00 0.00 C ATOM 330 C LYS A 463 -8.360 3.939 -0.315 1.00 0.00 C ATOM 331 O LYS A 463 -9.016 4.559 0.516 1.00 0.00 O ATOM 332 CB LYS A 463 -7.749 4.574 -2.699 1.00 0.00 C ATOM 333 CG LYS A 463 -8.029 6.045 -3.006 1.00 0.00 C ATOM 334 CD LYS A 463 -6.838 6.721 -3.704 1.00 0.00 C ATOM 335 CE LYS A 463 -7.018 8.238 -3.863 1.00 0.00 C ATOM 336 NZ LYS A 463 -8.220 8.600 -4.637 1.00 0.00 N ATOM 0 H LYS A 463 -10.294 5.202 -1.101 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.888 2.887 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -6.765 4.489 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -7.711 4.017 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -8.913 6.122 -3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -8.254 6.573 -2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -5.931 6.526 -3.132 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -6.698 6.272 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -7.077 8.696 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -6.138 8.653 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -8.269 9.634 -4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -8.172 8.161 -5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -9.068 8.261 -4.140 1.00 0.00 H new ATOM 350 N ARG A 464 -7.294 3.216 -0.004 1.00 0.00 N ATOM 351 CA ARG A 464 -6.677 3.090 1.302 1.00 0.00 C ATOM 352 C ARG A 464 -5.233 3.510 1.184 1.00 0.00 C ATOM 353 O ARG A 464 -4.705 3.568 0.075 1.00 0.00 O ATOM 354 CB ARG A 464 -6.685 1.623 1.704 1.00 0.00 C ATOM 355 CG ARG A 464 -8.101 1.170 1.947 1.00 0.00 C ATOM 356 CD ARG A 464 -8.258 -0.336 1.841 1.00 0.00 C ATOM 357 NE ARG A 464 -8.116 -0.901 0.492 1.00 0.00 N ATOM 358 CZ ARG A 464 -8.166 -2.215 0.241 1.00 0.00 C ATOM 359 NH1 ARG A 464 -8.318 -3.103 1.222 1.00 0.00 N ATOM 360 NH2 ARG A 464 -8.067 -2.630 -1.012 1.00 0.00 N ATOM 0 H ARG A 464 -6.806 2.665 -0.710 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.213 3.700 2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -6.229 1.019 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.088 1.480 2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.418 1.496 2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -8.762 1.652 1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -7.520 -0.806 2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -9.241 -0.608 2.227 1.00 0.00 H new ATOM 0 HE ARG A 464 -7.973 -0.262 -0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -8.399 -2.787 2.188 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -8.353 -4.099 1.007 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -7.955 -1.953 -1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -8.103 -3.627 -1.223 1.00 0.00 H new ATOM 374 N MET A 465 -4.591 3.669 2.333 1.00 0.00 N ATOM 375 CA MET A 465 -3.208 4.055 2.472 1.00 0.00 C ATOM 376 C MET A 465 -2.536 3.070 3.423 1.00 0.00 C ATOM 377 O MET A 465 -3.183 2.521 4.323 1.00 0.00 O ATOM 378 CB MET A 465 -3.212 5.461 3.075 1.00 0.00 C ATOM 379 CG MET A 465 -1.830 6.023 3.377 1.00 0.00 C ATOM 380 SD MET A 465 -1.907 7.609 4.235 1.00 0.00 S ATOM 381 CE MET A 465 -1.292 7.072 5.846 1.00 0.00 C ATOM 0 H MET A 465 -5.049 3.523 3.232 1.00 0.00 H new ATOM 0 HA MET A 465 -2.672 4.049 1.523 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.722 6.136 2.388 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.793 5.445 3.997 1.00 0.00 H new ATOM 0 HG2 MET A 465 -1.275 5.309 3.986 1.00 0.00 H new ATOM 0 HG3 MET A 465 -1.278 6.143 2.445 1.00 0.00 H new ATOM 0 HE1 MET A 465 -1.265 7.923 6.527 1.00 0.00 H new ATOM 0 HE2 MET A 465 -1.952 6.304 6.250 1.00 0.00 H new ATOM 0 HE3 MET A 465 -0.287 6.664 5.734 1.00 0.00 H new ATOM 391 N ARG A 466 -1.253 2.801 3.206 1.00 0.00 N ATOM 392 CA ARG A 466 -0.449 1.932 4.052 1.00 0.00 C ATOM 393 C ARG A 466 1.000 2.348 3.869 1.00 0.00 C ATOM 394 O ARG A 466 1.349 2.972 2.859 1.00 0.00 O ATOM 395 CB ARG A 466 -0.664 0.432 3.771 1.00 0.00 C ATOM 396 CG ARG A 466 -0.097 -0.051 2.431 1.00 0.00 C ATOM 397 CD ARG A 466 -0.351 -1.552 2.270 1.00 0.00 C ATOM 398 NE ARG A 466 0.106 -2.025 0.961 1.00 0.00 N ATOM 399 CZ ARG A 466 0.284 -3.284 0.557 1.00 0.00 C ATOM 400 NH1 ARG A 466 0.063 -4.331 1.351 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.673 -3.490 -0.689 1.00 0.00 N ATOM 0 H ARG A 466 -0.734 3.191 2.419 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.757 2.052 5.091 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.205 -0.145 4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.733 0.220 3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.562 0.496 1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 466 0.973 0.153 2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.166 -2.098 3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.415 -1.759 2.384 1.00 0.00 H new ATOM 0 HE ARG A 466 0.314 -1.302 0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.255 -4.186 2.309 1.00 0.00 H new ATOM 0 HH12 ARG A 466 0.212 -5.277 1.001 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.829 -2.698 -1.312 1.00 0.00 H new ATOM 0 HH22 ARG A 466 0.818 -4.441 -1.027 1.00 0.00 H new ATOM 415 N GLN A 467 1.851 2.006 4.824 1.00 0.00 N ATOM 416 CA GLN A 467 3.263 2.318 4.747 1.00 0.00 C ATOM 417 C GLN A 467 4.046 1.166 5.355 1.00 0.00 C ATOM 418 O GLN A 467 3.488 0.259 5.984 1.00 0.00 O ATOM 419 CB GLN A 467 3.576 3.693 5.386 1.00 0.00 C ATOM 420 CG GLN A 467 3.531 3.772 6.925 1.00 0.00 C ATOM 421 CD GLN A 467 4.903 3.580 7.584 1.00 0.00 C ATOM 422 OE1 GLN A 467 5.302 2.472 7.929 1.00 0.00 O ATOM 423 NE2 GLN A 467 5.684 4.635 7.776 1.00 0.00 N ATOM 0 H GLN A 467 1.580 1.506 5.671 1.00 0.00 H new ATOM 0 HA GLN A 467 3.573 2.420 3.707 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.569 4.001 5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 467 2.869 4.421 4.988 1.00 0.00 H new ATOM 0 HG2 GLN A 467 3.126 4.740 7.220 1.00 0.00 H new ATOM 0 HG3 GLN A 467 2.846 3.012 7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 467 5.366 5.563 7.495 1.00 0.00 H new ATOM 0 HE22 GLN A 467 6.602 4.519 8.205 1.00 0.00 H new ATOM 432 N ARG A 468 5.344 1.188 5.100 1.00 0.00 N ATOM 433 CA ARG A 468 6.323 0.247 5.603 1.00 0.00 C ATOM 434 C ARG A 468 7.651 0.976 5.651 1.00 0.00 C ATOM 435 O ARG A 468 7.723 2.162 5.320 1.00 0.00 O ATOM 436 CB ARG A 468 6.349 -1.057 4.800 1.00 0.00 C ATOM 437 CG ARG A 468 6.814 -0.976 3.339 1.00 0.00 C ATOM 438 CD ARG A 468 6.812 -2.425 2.852 1.00 0.00 C ATOM 439 NE ARG A 468 7.005 -2.618 1.408 1.00 0.00 N ATOM 440 CZ ARG A 468 7.180 -3.822 0.844 1.00 0.00 C ATOM 441 NH1 ARG A 468 7.243 -4.919 1.602 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.313 -3.923 -0.470 1.00 0.00 N ATOM 0 H ARG A 468 5.762 1.903 4.504 1.00 0.00 H new ATOM 0 HA ARG A 468 6.063 -0.087 6.608 1.00 0.00 H new ATOM 0 HB2 ARG A 468 6.997 -1.761 5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.344 -1.480 4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.143 -0.357 2.743 1.00 0.00 H new ATOM 0 HG3 ARG A 468 7.807 -0.534 3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.598 -2.966 3.379 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.864 -2.882 3.136 1.00 0.00 H new ATOM 0 HE ARG A 468 7.006 -1.795 0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 468 7.158 -4.844 2.616 1.00 0.00 H new ATOM 0 HH12 ARG A 468 7.376 -5.832 1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 468 7.282 -3.086 -1.052 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.446 -4.838 -0.900 1.00 0.00 H new ATOM 456 N MET A 469 8.699 0.294 6.088 1.00 0.00 N ATOM 457 CA MET A 469 10.031 0.864 6.176 1.00 0.00 C ATOM 458 C MET A 469 10.980 -0.058 5.423 1.00 0.00 C ATOM 459 O MET A 469 10.633 -1.193 5.083 1.00 0.00 O ATOM 460 CB MET A 469 10.400 1.104 7.649 1.00 0.00 C ATOM 461 CG MET A 469 9.501 2.214 8.219 1.00 0.00 C ATOM 462 SD MET A 469 9.742 2.649 9.957 1.00 0.00 S ATOM 463 CE MET A 469 8.401 3.861 10.101 1.00 0.00 C ATOM 0 H MET A 469 8.646 -0.678 6.393 1.00 0.00 H new ATOM 0 HA MET A 469 10.094 1.846 5.706 1.00 0.00 H new ATOM 0 HB2 MET A 469 10.273 0.186 8.223 1.00 0.00 H new ATOM 0 HB3 MET A 469 11.449 1.390 7.732 1.00 0.00 H new ATOM 0 HG2 MET A 469 9.650 3.113 7.620 1.00 0.00 H new ATOM 0 HG3 MET A 469 8.462 1.911 8.086 1.00 0.00 H new ATOM 0 HE1 MET A 469 8.377 4.258 11.116 1.00 0.00 H new ATOM 0 HE2 MET A 469 8.570 4.676 9.397 1.00 0.00 H new ATOM 0 HE3 MET A 469 7.449 3.379 9.877 1.00 0.00 H new ATOM 473 N LEU A 470 12.158 0.449 5.103 1.00 0.00 N ATOM 474 CA LEU A 470 13.205 -0.256 4.392 1.00 0.00 C ATOM 475 C LEU A 470 14.091 -0.898 5.464 1.00 0.00 C ATOM 476 O LEU A 470 14.636 -0.192 6.320 1.00 0.00 O ATOM 477 CB LEU A 470 13.882 0.764 3.456 1.00 0.00 C ATOM 478 CG LEU A 470 15.053 0.285 2.587 1.00 0.00 C ATOM 479 CD1 LEU A 470 16.299 -0.040 3.409 1.00 0.00 C ATOM 480 CD2 LEU A 470 14.630 -0.899 1.713 1.00 0.00 C ATOM 0 H LEU A 470 12.420 1.405 5.343 1.00 0.00 H new ATOM 0 HA LEU A 470 12.877 -1.068 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 470 13.117 1.165 2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.239 1.592 4.068 1.00 0.00 H new ATOM 0 HG LEU A 470 15.327 1.112 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 470 17.096 -0.374 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.623 0.851 3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 470 16.068 -0.830 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 470 15.475 -1.223 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 470 14.304 -1.722 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.810 -0.596 1.062 1.00 0.00 H new ATOM 492 N LYS A 471 14.152 -2.236 5.489 1.00 0.00 N ATOM 493 CA LYS A 471 14.955 -2.997 6.449 1.00 0.00 C ATOM 494 C LYS A 471 16.419 -2.993 6.019 1.00 0.00 C ATOM 495 O LYS A 471 17.296 -2.803 6.861 1.00 0.00 O ATOM 496 CB LYS A 471 14.465 -4.446 6.582 1.00 0.00 C ATOM 497 CG LYS A 471 13.219 -4.598 7.457 1.00 0.00 C ATOM 498 CD LYS A 471 12.798 -6.071 7.586 1.00 0.00 C ATOM 499 CE LYS A 471 12.392 -6.639 6.219 1.00 0.00 C ATOM 500 NZ LYS A 471 11.941 -8.036 6.285 1.00 0.00 N ATOM 0 H LYS A 471 13.638 -2.825 4.834 1.00 0.00 H new ATOM 0 HA LYS A 471 14.850 -2.515 7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 471 14.250 -4.840 5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 471 15.267 -5.054 7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 471 13.416 -4.187 8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.400 -4.020 7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 471 13.621 -6.655 7.999 1.00 0.00 H new ATOM 0 HD3 LYS A 471 11.965 -6.157 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 471 11.594 -6.026 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 471 13.240 -6.569 5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 11.681 -8.362 5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 12.708 -8.631 6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 11.114 -8.105 6.912 1.00 0.00 H new ATOM 514 N ALA A 472 16.683 -3.301 4.748 1.00 0.00 N ATOM 515 CA ALA A 472 18.001 -3.329 4.126 1.00 0.00 C ATOM 516 C ALA A 472 17.802 -3.036 2.638 1.00 0.00 C ATOM 517 O ALA A 472 16.688 -3.171 2.135 1.00 0.00 O ATOM 518 CB ALA A 472 18.656 -4.702 4.326 1.00 0.00 C ATOM 0 H ALA A 472 15.942 -3.550 4.093 1.00 0.00 H new ATOM 0 HA ALA A 472 18.660 -2.587 4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.640 -4.708 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.762 -4.903 5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 472 18.032 -5.472 3.872 1.00 0.00 H new ATOM 524 N GLN A 473 18.845 -2.637 1.922 1.00 0.00 N ATOM 525 CA GLN A 473 18.809 -2.335 0.497 1.00 0.00 C ATOM 526 C GLN A 473 20.003 -3.026 -0.146 1.00 0.00 C ATOM 527 O GLN A 473 21.015 -3.294 0.509 1.00 0.00 O ATOM 528 CB GLN A 473 18.748 -0.814 0.245 1.00 0.00 C ATOM 529 CG GLN A 473 20.016 -0.079 0.688 1.00 0.00 C ATOM 530 CD GLN A 473 19.758 1.398 0.970 1.00 0.00 C ATOM 531 OE1 GLN A 473 19.610 1.801 2.124 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.690 2.244 -0.036 1.00 0.00 N ATOM 0 H GLN A 473 19.771 -2.510 2.331 1.00 0.00 H new ATOM 0 HA GLN A 473 17.900 -2.718 0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.584 -0.634 -0.818 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.891 -0.398 0.775 1.00 0.00 H new ATOM 0 HG2 GLN A 473 20.415 -0.554 1.584 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.777 -0.172 -0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 473 19.813 1.910 -0.992 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.515 3.233 0.140 1.00 0.00 H new ATOM 541 N LEU A 474 19.864 -3.373 -1.418 1.00 0.00 N ATOM 542 CA LEU A 474 20.914 -4.046 -2.162 1.00 0.00 C ATOM 543 C LEU A 474 21.901 -3.009 -2.672 1.00 0.00 C ATOM 544 O LEU A 474 23.082 -3.328 -2.815 1.00 0.00 O ATOM 545 CB LEU A 474 20.313 -4.786 -3.359 1.00 0.00 C ATOM 546 CG LEU A 474 19.522 -6.072 -3.052 1.00 0.00 C ATOM 547 CD1 LEU A 474 20.454 -7.225 -2.738 1.00 0.00 C ATOM 548 CD2 LEU A 474 18.502 -6.016 -1.907 1.00 0.00 C ATOM 0 H LEU A 474 19.019 -3.195 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 474 21.417 -4.760 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 474 19.653 -4.098 -3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 474 21.122 -5.040 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 474 18.955 -6.207 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 474 19.868 -8.119 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 474 21.103 -7.412 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 474 21.062 -6.975 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 474 18.020 -6.988 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 474 19.012 -5.761 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 474 17.749 -5.259 -2.127 1.00 0.00 H new ATOM 560 N ASP A 475 21.429 -1.788 -2.920 1.00 0.00 N ATOM 561 CA ASP A 475 22.215 -0.671 -3.416 1.00 0.00 C ATOM 562 C ASP A 475 22.226 0.405 -2.347 1.00 0.00 C ATOM 563 O ASP A 475 21.234 1.105 -2.161 1.00 0.00 O ATOM 564 CB ASP A 475 21.629 -0.145 -4.723 1.00 0.00 C ATOM 565 CG ASP A 475 22.567 0.858 -5.401 1.00 0.00 C ATOM 566 OD1 ASP A 475 23.471 1.405 -4.734 1.00 0.00 O ATOM 567 OD2 ASP A 475 22.389 1.054 -6.627 1.00 0.00 O ATOM 0 H ASP A 475 20.449 -1.546 -2.773 1.00 0.00 H new ATOM 0 HA ASP A 475 23.236 -0.989 -3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 475 21.439 -0.979 -5.398 1.00 0.00 H new ATOM 0 HB3 ASP A 475 20.668 0.331 -4.526 1.00 0.00 H new ATOM 572 N LEU A 476 23.299 0.492 -1.563 1.00 0.00 N ATOM 573 CA LEU A 476 23.387 1.500 -0.506 1.00 0.00 C ATOM 574 C LEU A 476 23.364 2.907 -1.109 1.00 0.00 C ATOM 575 O LEU A 476 22.883 3.840 -0.464 1.00 0.00 O ATOM 576 CB LEU A 476 24.654 1.293 0.346 1.00 0.00 C ATOM 577 CG LEU A 476 24.572 0.203 1.436 1.00 0.00 C ATOM 578 CD1 LEU A 476 23.597 0.579 2.560 1.00 0.00 C ATOM 579 CD2 LEU A 476 24.204 -1.188 0.897 1.00 0.00 C ATOM 0 H LEU A 476 24.114 -0.117 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 476 22.521 1.389 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.480 1.048 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.902 2.240 0.826 1.00 0.00 H new ATOM 0 HG LEU A 476 25.584 0.147 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 476 23.573 -0.218 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 476 23.925 1.505 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 476 22.599 0.718 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 476 24.166 -1.899 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 476 23.229 -1.144 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.955 -1.509 0.175 1.00 0.00 H new ATOM 591 N SER A 477 23.863 3.059 -2.336 1.00 0.00 N ATOM 592 CA SER A 477 23.932 4.310 -3.064 1.00 0.00 C ATOM 593 C SER A 477 22.610 4.723 -3.706 1.00 0.00 C ATOM 594 O SER A 477 22.559 5.811 -4.286 1.00 0.00 O ATOM 595 CB SER A 477 25.026 4.188 -4.127 1.00 0.00 C ATOM 596 OG SER A 477 26.247 3.787 -3.523 1.00 0.00 O ATOM 0 H SER A 477 24.245 2.275 -2.866 1.00 0.00 H new ATOM 0 HA SER A 477 24.165 5.097 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 477 24.730 3.462 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A 477 25.159 5.143 -4.636 1.00 0.00 H new ATOM 0 HG SER A 477 26.942 3.709 -4.210 1.00 0.00 H new ATOM 602 N VAL A 478 21.552 3.918 -3.603 1.00 0.00 N ATOM 603 CA VAL A 478 20.244 4.211 -4.174 1.00 0.00 C ATOM 604 C VAL A 478 19.167 3.857 -3.139 1.00 0.00 C ATOM 605 O VAL A 478 18.987 2.682 -2.830 1.00 0.00 O ATOM 606 CB VAL A 478 20.077 3.459 -5.506 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.641 3.516 -6.038 1.00 0.00 C ATOM 608 CG2 VAL A 478 21.009 4.051 -6.571 1.00 0.00 C ATOM 0 H VAL A 478 21.585 3.026 -3.109 1.00 0.00 H new ATOM 0 HA VAL A 478 20.143 5.271 -4.405 1.00 0.00 H new ATOM 0 HB VAL A 478 20.329 2.418 -5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.580 2.970 -6.979 1.00 0.00 H new ATOM 0 HG12 VAL A 478 17.966 3.064 -5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.355 4.555 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 478 20.881 3.510 -7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.766 5.103 -6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 478 22.043 3.962 -6.239 1.00 0.00 H new ATOM 618 N PRO A 479 18.453 4.844 -2.573 1.00 0.00 N ATOM 619 CA PRO A 479 17.409 4.585 -1.591 1.00 0.00 C ATOM 620 C PRO A 479 16.203 3.868 -2.198 1.00 0.00 C ATOM 621 O PRO A 479 16.086 3.687 -3.413 1.00 0.00 O ATOM 622 CB PRO A 479 17.013 5.957 -1.044 1.00 0.00 C ATOM 623 CG PRO A 479 17.359 6.910 -2.182 1.00 0.00 C ATOM 624 CD PRO A 479 18.571 6.268 -2.837 1.00 0.00 C ATOM 0 HA PRO A 479 17.772 3.920 -0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 479 15.953 5.998 -0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.564 6.201 -0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.532 7.011 -2.884 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.587 7.909 -1.811 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.588 6.467 -3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.497 6.667 -2.423 1.00 0.00 H new ATOM 632 N CYS A 480 15.265 3.518 -1.321 1.00 0.00 N ATOM 633 CA CYS A 480 14.038 2.816 -1.639 1.00 0.00 C ATOM 634 C CYS A 480 12.812 3.628 -1.201 1.00 0.00 C ATOM 635 O CYS A 480 12.180 3.298 -0.195 1.00 0.00 O ATOM 636 CB CYS A 480 14.115 1.453 -0.951 1.00 0.00 C ATOM 637 SG CYS A 480 15.576 0.471 -1.383 1.00 0.00 S ATOM 0 H CYS A 480 15.350 3.728 -0.327 1.00 0.00 H new ATOM 0 HA CYS A 480 13.927 2.678 -2.715 1.00 0.00 H new ATOM 0 HB2 CYS A 480 14.101 1.604 0.128 1.00 0.00 H new ATOM 0 HB3 CYS A 480 13.222 0.882 -1.204 1.00 0.00 H new ATOM 642 N PRO A 481 12.426 4.668 -1.962 1.00 0.00 N ATOM 643 CA PRO A 481 11.280 5.549 -1.704 1.00 0.00 C ATOM 644 C PRO A 481 9.946 4.850 -2.004 1.00 0.00 C ATOM 645 O PRO A 481 8.971 5.481 -2.415 1.00 0.00 O ATOM 646 CB PRO A 481 11.499 6.747 -2.639 1.00 0.00 C ATOM 647 CG PRO A 481 12.175 6.084 -3.832 1.00 0.00 C ATOM 648 CD PRO A 481 13.116 5.104 -3.163 1.00 0.00 C ATOM 0 HA PRO A 481 11.222 5.843 -0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.561 7.228 -2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 481 12.128 7.512 -2.184 1.00 0.00 H new ATOM 0 HG2 PRO A 481 11.457 5.581 -4.479 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.710 6.805 -4.449 1.00 0.00 H new ATOM 0 HD2 PRO A 481 13.336 4.261 -3.818 1.00 0.00 H new ATOM 0 HD3 PRO A 481 14.068 5.576 -2.920 1.00 0.00 H new ATOM 656 N ASP A 482 9.864 3.542 -1.817 1.00 0.00 N ATOM 657 CA ASP A 482 8.693 2.702 -2.068 1.00 0.00 C ATOM 658 C ASP A 482 8.016 2.293 -0.752 1.00 0.00 C ATOM 659 O ASP A 482 7.384 1.243 -0.644 1.00 0.00 O ATOM 660 CB ASP A 482 9.109 1.472 -2.879 1.00 0.00 C ATOM 661 CG ASP A 482 10.164 1.730 -3.957 1.00 0.00 C ATOM 662 OD1 ASP A 482 9.803 2.170 -5.076 1.00 0.00 O ATOM 663 OD2 ASP A 482 11.352 1.438 -3.678 1.00 0.00 O ATOM 0 H ASP A 482 10.656 3.003 -1.466 1.00 0.00 H new ATOM 0 HA ASP A 482 7.965 3.274 -2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.491 0.716 -2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 482 8.222 1.053 -3.354 1.00 0.00 H new ATOM 668 N THR A 483 8.201 3.091 0.291 1.00 0.00 N ATOM 669 CA THR A 483 7.676 2.892 1.631 1.00 0.00 C ATOM 670 C THR A 483 6.193 3.231 1.795 1.00 0.00 C ATOM 671 O THR A 483 5.646 2.920 2.850 1.00 0.00 O ATOM 672 CB THR A 483 8.545 3.736 2.580 1.00 0.00 C ATOM 673 OG1 THR A 483 8.770 5.043 2.073 1.00 0.00 O ATOM 674 CG2 THR A 483 9.915 3.080 2.796 1.00 0.00 C ATOM 0 H THR A 483 8.755 3.944 0.218 1.00 0.00 H new ATOM 0 HA THR A 483 7.727 1.828 1.864 1.00 0.00 H new ATOM 0 HB THR A 483 7.996 3.799 3.520 1.00 0.00 H new ATOM 0 HG1 THR A 483 9.324 5.548 2.704 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.511 3.695 3.470 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.780 2.090 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.429 2.988 1.839 1.00 0.00 H new ATOM 682 N GLN A 484 5.538 3.832 0.802 1.00 0.00 N ATOM 683 CA GLN A 484 4.134 4.224 0.839 1.00 0.00 C ATOM 684 C GLN A 484 3.393 3.511 -0.289 1.00 0.00 C ATOM 685 O GLN A 484 3.935 3.356 -1.387 1.00 0.00 O ATOM 686 CB GLN A 484 4.011 5.751 0.660 1.00 0.00 C ATOM 687 CG GLN A 484 4.871 6.596 1.622 1.00 0.00 C ATOM 688 CD GLN A 484 4.023 7.463 2.546 1.00 0.00 C ATOM 689 OE1 GLN A 484 3.502 6.974 3.550 1.00 0.00 O ATOM 690 NE2 GLN A 484 3.815 8.728 2.215 1.00 0.00 N ATOM 0 H GLN A 484 5.990 4.067 -0.082 1.00 0.00 H new ATOM 0 HA GLN A 484 3.700 3.947 1.800 1.00 0.00 H new ATOM 0 HB2 GLN A 484 4.285 6.004 -0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 484 2.966 6.033 0.789 1.00 0.00 H new ATOM 0 HG2 GLN A 484 5.498 5.935 2.221 1.00 0.00 H new ATOM 0 HG3 GLN A 484 5.541 7.232 1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 484 4.255 9.116 1.380 1.00 0.00 H new ATOM 0 HE22 GLN A 484 3.215 9.315 2.795 1.00 0.00 H new ATOM 699 N ASP A 485 2.150 3.101 -0.034 1.00 0.00 N ATOM 700 CA ASP A 485 1.322 2.417 -1.021 1.00 0.00 C ATOM 701 C ASP A 485 -0.156 2.734 -0.817 1.00 0.00 C ATOM 702 O ASP A 485 -0.583 3.031 0.304 1.00 0.00 O ATOM 703 CB ASP A 485 1.568 0.916 -0.930 1.00 0.00 C ATOM 704 CG ASP A 485 0.806 0.146 -1.988 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.706 0.643 -3.131 1.00 0.00 O ATOM 706 OD2 ASP A 485 0.324 -0.963 -1.674 1.00 0.00 O ATOM 0 H ASP A 485 1.690 3.236 0.866 1.00 0.00 H new ATOM 0 HA ASP A 485 1.596 2.769 -2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.634 0.717 -1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 485 1.274 0.561 0.058 1.00 0.00 H new ATOM 711 N PHE A 486 -0.927 2.695 -1.906 1.00 0.00 N ATOM 712 CA PHE A 486 -2.351 2.970 -1.959 1.00 0.00 C ATOM 713 C PHE A 486 -3.012 2.058 -2.991 1.00 0.00 C ATOM 714 O PHE A 486 -2.436 1.800 -4.051 1.00 0.00 O ATOM 715 CB PHE A 486 -2.606 4.434 -2.367 1.00 0.00 C ATOM 716 CG PHE A 486 -2.251 5.507 -1.350 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.907 5.861 -1.107 1.00 0.00 C ATOM 718 CD2 PHE A 486 -3.280 6.214 -0.694 1.00 0.00 C ATOM 719 CE1 PHE A 486 -0.585 6.892 -0.207 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.961 7.273 0.174 1.00 0.00 C ATOM 721 CZ PHE A 486 -1.618 7.609 0.418 1.00 0.00 C ATOM 0 H PHE A 486 -0.546 2.457 -2.822 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.771 2.791 -0.969 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -2.045 4.634 -3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.663 4.538 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 486 -0.116 5.333 -1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -4.312 5.942 -0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 486 0.447 7.130 0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -3.751 7.831 0.655 1.00 0.00 H new ATOM 0 HZ PHE A 486 -1.380 8.421 1.089 1.00 0.00 H new ATOM 731 N GLN A 487 -4.210 1.556 -2.685 1.00 0.00 N ATOM 732 CA GLN A 487 -5.023 0.695 -3.547 1.00 0.00 C ATOM 733 C GLN A 487 -6.494 1.074 -3.340 1.00 0.00 C ATOM 734 O GLN A 487 -6.835 1.582 -2.267 1.00 0.00 O ATOM 735 CB GLN A 487 -4.803 -0.807 -3.269 1.00 0.00 C ATOM 736 CG GLN A 487 -3.894 -1.492 -4.307 1.00 0.00 C ATOM 737 CD GLN A 487 -2.510 -1.828 -3.764 1.00 0.00 C ATOM 738 OE1 GLN A 487 -2.260 -2.951 -3.325 1.00 0.00 O ATOM 739 NE2 GLN A 487 -1.598 -0.886 -3.779 1.00 0.00 N ATOM 0 H GLN A 487 -4.660 1.747 -1.790 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.723 0.853 -4.583 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.365 -0.926 -2.278 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -5.769 -1.312 -3.253 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -4.374 -2.408 -4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -3.789 -0.840 -5.174 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -1.825 0.038 -4.147 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -0.662 -1.077 -3.423 1.00 0.00 H new ATOM 748 N PRO A 488 -7.387 0.793 -4.307 1.00 0.00 N ATOM 749 CA PRO A 488 -8.801 1.136 -4.215 1.00 0.00 C ATOM 750 C PRO A 488 -9.535 0.424 -3.078 1.00 0.00 C ATOM 751 O PRO A 488 -9.102 -0.633 -2.617 1.00 0.00 O ATOM 752 CB PRO A 488 -9.415 0.771 -5.572 1.00 0.00 C ATOM 753 CG PRO A 488 -8.477 -0.304 -6.092 1.00 0.00 C ATOM 754 CD PRO A 488 -7.117 0.182 -5.600 1.00 0.00 C ATOM 0 HA PRO A 488 -8.902 2.196 -3.984 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.435 0.401 -5.467 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.455 1.630 -6.241 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -8.726 -1.288 -5.693 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.512 -0.382 -7.179 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.411 -0.644 -5.508 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.679 0.900 -6.293 1.00 0.00 H new ATOM 762 N CYS A 489 -10.656 1.005 -2.644 1.00 0.00 N ATOM 763 CA CYS A 489 -11.531 0.476 -1.589 1.00 0.00 C ATOM 764 C CYS A 489 -12.983 0.926 -1.823 1.00 0.00 C ATOM 765 O CYS A 489 -13.251 1.668 -2.766 1.00 0.00 O ATOM 766 CB CYS A 489 -11.030 0.978 -0.221 1.00 0.00 C ATOM 767 SG CYS A 489 -11.874 0.306 1.250 1.00 0.00 S ATOM 0 H CYS A 489 -10.993 1.887 -3.029 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.505 -0.614 -1.609 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -9.968 0.747 -0.141 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -11.122 2.064 -0.201 1.00 0.00 H new ATOM 772 N MET A 490 -13.918 0.440 -1.009 1.00 0.00 N ATOM 773 CA MET A 490 -15.343 0.746 -0.957 1.00 0.00 C ATOM 774 C MET A 490 -15.675 0.669 0.533 1.00 0.00 C ATOM 775 O MET A 490 -15.084 -0.155 1.242 1.00 0.00 O ATOM 776 CB MET A 490 -16.275 -0.199 -1.719 1.00 0.00 C ATOM 777 CG MET A 490 -15.908 -0.481 -3.173 1.00 0.00 C ATOM 778 SD MET A 490 -14.859 -1.940 -3.401 1.00 0.00 S ATOM 779 CE MET A 490 -16.076 -3.252 -3.079 1.00 0.00 C ATOM 0 H MET A 490 -13.669 -0.248 -0.298 1.00 0.00 H new ATOM 0 HA MET A 490 -15.509 1.709 -1.441 1.00 0.00 H new ATOM 0 HB2 MET A 490 -16.311 -1.148 -1.185 1.00 0.00 H new ATOM 0 HB3 MET A 490 -17.281 0.219 -1.695 1.00 0.00 H new ATOM 0 HG2 MET A 490 -16.824 -0.612 -3.749 1.00 0.00 H new ATOM 0 HG3 MET A 490 -15.395 0.389 -3.583 1.00 0.00 H new ATOM 0 HE1 MET A 490 -15.699 -4.200 -3.462 1.00 0.00 H new ATOM 0 HE2 MET A 490 -16.245 -3.336 -2.005 1.00 0.00 H new ATOM 0 HE3 MET A 490 -17.015 -3.007 -3.576 1.00 0.00 H new ATOM 789 N GLY A 491 -16.621 1.493 0.987 1.00 0.00 N ATOM 790 CA GLY A 491 -17.040 1.577 2.381 1.00 0.00 C ATOM 791 C GLY A 491 -17.464 0.244 3.002 1.00 0.00 C ATOM 792 O GLY A 491 -17.742 -0.726 2.286 1.00 0.00 O ATOM 0 H GLY A 491 -17.128 2.135 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -16.221 1.992 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -17.872 2.278 2.455 1.00 0.00 H new