USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=17 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 452 SER OG : rot -89:sc= 1.35 USER MOD Set 1.2: A 465 MET CE :methyl 162:sc= -0.0325 (180deg=-0.394) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.0796 USER MOD Single : A 445 TYR OH : rot 155:sc= 1.25 USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 447 ASN : amide:sc= -0.0167 X(o=-0.017,f=-0.017) USER MOD Single : A 449 SER OG : rot 93:sc= 1.32 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 SER OG : rot -40:sc= -0.681 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+ 174:sc= -0.129 (180deg=-0.218) USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 467 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.44) USER MOD Single : A 469 MET CE :methyl 174:sc= -0.0169 (180deg=-0.0895) USER MOD Single : A 471 LYS NZ :NH3+ -166:sc= 1.06 (180deg=0.744) USER MOD Single : A 473 GLN : amide:sc= 0.558 K(o=0.56,f=0) USER MOD Single : A 477 SER OG : rot -38:sc= 0.00842 USER MOD Single : A 483 THR OG1 : rot -93:sc= 0.111 USER MOD Single : A 484 GLN : amide:sc= -0.0296 K(o=-0.03,f=-0.91) USER MOD Single : A 487 GLN : amide:sc= 0.83 K(o=0.83,f=-3.2!) USER MOD Single : A 490 MET CE :methyl -172:sc= 0 (180deg=-0.0818) USER MOD ----------------------------------------------------------------- ATOM 19 N GLU A 441 14.655 -5.651 -6.810 1.00 0.00 N ATOM 20 CA GLU A 441 15.869 -6.445 -6.708 1.00 0.00 C ATOM 21 C GLU A 441 16.850 -5.924 -5.657 1.00 0.00 C ATOM 22 O GLU A 441 17.261 -6.669 -4.768 1.00 0.00 O ATOM 23 CB GLU A 441 16.512 -6.516 -8.103 1.00 0.00 C ATOM 24 CG GLU A 441 16.910 -5.162 -8.728 1.00 0.00 C ATOM 25 CD GLU A 441 16.849 -5.184 -10.253 1.00 0.00 C ATOM 26 OE1 GLU A 441 17.797 -5.694 -10.894 1.00 0.00 O ATOM 27 OE2 GLU A 441 15.844 -4.676 -10.802 1.00 0.00 O ATOM 0 HA GLU A 441 15.602 -7.444 -6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 441 17.402 -7.142 -8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 441 15.817 -7.016 -8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 441 16.247 -4.383 -8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 441 17.920 -4.902 -8.411 1.00 0.00 H new ATOM 34 N THR A 442 17.190 -4.639 -5.727 1.00 0.00 N ATOM 35 CA THR A 442 18.138 -3.963 -4.851 1.00 0.00 C ATOM 36 C THR A 442 17.509 -3.435 -3.566 1.00 0.00 C ATOM 37 O THR A 442 18.189 -2.783 -2.769 1.00 0.00 O ATOM 38 CB THR A 442 18.866 -2.881 -5.684 1.00 0.00 C ATOM 39 OG1 THR A 442 17.943 -2.261 -6.572 1.00 0.00 O ATOM 40 CG2 THR A 442 19.976 -3.580 -6.480 1.00 0.00 C ATOM 0 H THR A 442 16.793 -4.014 -6.429 1.00 0.00 H new ATOM 0 HA THR A 442 18.871 -4.682 -4.484 1.00 0.00 H new ATOM 0 HB THR A 442 19.289 -2.112 -5.038 1.00 0.00 H new ATOM 0 HG1 THR A 442 18.405 -1.575 -7.098 1.00 0.00 H new ATOM 0 HG21 THR A 442 20.511 -2.845 -7.080 1.00 0.00 H new ATOM 0 HG22 THR A 442 20.670 -4.061 -5.791 1.00 0.00 H new ATOM 0 HG23 THR A 442 19.536 -4.332 -7.135 1.00 0.00 H new ATOM 48 N CYS A 443 16.235 -3.753 -3.329 1.00 0.00 N ATOM 49 CA CYS A 443 15.506 -3.309 -2.164 1.00 0.00 C ATOM 50 C CYS A 443 14.877 -4.472 -1.393 1.00 0.00 C ATOM 51 O CYS A 443 14.461 -5.471 -1.986 1.00 0.00 O ATOM 52 CB CYS A 443 14.446 -2.290 -2.599 1.00 0.00 C ATOM 53 SG CYS A 443 15.030 -0.814 -3.487 1.00 0.00 S ATOM 0 H CYS A 443 15.682 -4.336 -3.957 1.00 0.00 H new ATOM 0 HA CYS A 443 16.207 -2.837 -1.476 1.00 0.00 H new ATOM 0 HB2 CYS A 443 13.724 -2.803 -3.234 1.00 0.00 H new ATOM 0 HB3 CYS A 443 13.910 -1.959 -1.710 1.00 0.00 H new ATOM 58 N ILE A 444 14.806 -4.326 -0.068 1.00 0.00 N ATOM 59 CA ILE A 444 14.248 -5.256 0.904 1.00 0.00 C ATOM 60 C ILE A 444 13.453 -4.395 1.879 1.00 0.00 C ATOM 61 O ILE A 444 14.028 -3.651 2.675 1.00 0.00 O ATOM 62 CB ILE A 444 15.288 -6.080 1.698 1.00 0.00 C ATOM 63 CG1 ILE A 444 16.457 -6.633 0.870 1.00 0.00 C ATOM 64 CG2 ILE A 444 14.541 -7.190 2.461 1.00 0.00 C ATOM 65 CD1 ILE A 444 16.106 -7.797 -0.050 1.00 0.00 C ATOM 0 H ILE A 444 15.167 -3.486 0.384 1.00 0.00 H new ATOM 0 HA ILE A 444 13.657 -5.998 0.367 1.00 0.00 H new ATOM 0 HB ILE A 444 15.781 -5.398 2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 444 16.868 -5.824 0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 444 17.245 -6.954 1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.256 -7.785 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 444 13.820 -6.740 3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 444 14.018 -7.831 1.751 1.00 0.00 H new ATOM 0 HD11 ILE A 444 16.997 -8.115 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 444 15.726 -8.628 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 444 15.344 -7.481 -0.762 1.00 0.00 H new ATOM 77 N TYR A 445 12.134 -4.478 1.825 1.00 0.00 N ATOM 78 CA TYR A 445 11.241 -3.734 2.697 1.00 0.00 C ATOM 79 C TYR A 445 10.604 -4.739 3.661 1.00 0.00 C ATOM 80 O TYR A 445 10.759 -5.955 3.495 1.00 0.00 O ATOM 81 CB TYR A 445 10.172 -3.003 1.872 1.00 0.00 C ATOM 82 CG TYR A 445 10.547 -2.545 0.470 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.550 -3.481 -0.583 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.807 -1.189 0.191 1.00 0.00 C ATOM 85 CE1 TYR A 445 10.843 -3.076 -1.893 1.00 0.00 C ATOM 86 CE2 TYR A 445 11.111 -0.778 -1.121 1.00 0.00 C ATOM 87 CZ TYR A 445 11.127 -1.724 -2.175 1.00 0.00 C ATOM 88 OH TYR A 445 11.410 -1.374 -3.461 1.00 0.00 O ATOM 0 H TYR A 445 11.644 -5.077 1.160 1.00 0.00 H new ATOM 0 HA TYR A 445 11.788 -2.974 3.255 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.306 -3.660 1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.855 -2.126 2.437 1.00 0.00 H new ATOM 0 HD1 TYR A 445 10.325 -4.518 -0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.773 -0.461 0.988 1.00 0.00 H new ATOM 0 HE1 TYR A 445 10.851 -3.804 -2.691 1.00 0.00 H new ATOM 0 HE2 TYR A 445 11.332 0.259 -1.324 1.00 0.00 H new ATOM 0 HH TYR A 445 11.191 -0.429 -3.598 1.00 0.00 H new ATOM 98 N SER A 446 9.930 -4.266 4.705 1.00 0.00 N ATOM 99 CA SER A 446 9.259 -5.140 5.659 1.00 0.00 C ATOM 100 C SER A 446 7.802 -5.334 5.225 1.00 0.00 C ATOM 101 O SER A 446 7.378 -4.849 4.169 1.00 0.00 O ATOM 102 CB SER A 446 9.440 -4.656 7.104 1.00 0.00 C ATOM 103 OG SER A 446 9.476 -5.801 7.935 1.00 0.00 O ATOM 0 H SER A 446 9.834 -3.272 4.912 1.00 0.00 H new ATOM 0 HA SER A 446 9.724 -6.126 5.654 1.00 0.00 H new ATOM 0 HB2 SER A 446 10.361 -4.081 7.203 1.00 0.00 H new ATOM 0 HB3 SER A 446 8.621 -3.998 7.393 1.00 0.00 H new ATOM 0 HG SER A 446 9.593 -5.525 8.868 1.00 0.00 H new ATOM 109 N ASN A 447 7.055 -6.119 6.001 1.00 0.00 N ATOM 110 CA ASN A 447 5.655 -6.403 5.713 1.00 0.00 C ATOM 111 C ASN A 447 4.855 -5.111 5.656 1.00 0.00 C ATOM 112 O ASN A 447 5.084 -4.207 6.461 1.00 0.00 O ATOM 113 CB ASN A 447 5.076 -7.327 6.786 1.00 0.00 C ATOM 114 CG ASN A 447 3.558 -7.410 6.737 1.00 0.00 C ATOM 115 OD1 ASN A 447 2.866 -6.975 7.648 1.00 0.00 O ATOM 116 ND2 ASN A 447 2.993 -8.032 5.714 1.00 0.00 N ATOM 0 H ASN A 447 7.405 -6.574 6.844 1.00 0.00 H new ATOM 0 HA ASN A 447 5.592 -6.898 4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 447 5.494 -8.326 6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 447 5.384 -6.972 7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 447 1.980 -8.149 5.685 1.00 0.00 H new ATOM 0 HD22 ASN A 447 3.571 -8.394 4.955 1.00 0.00 H new ATOM 123 N TRP A 448 3.934 -5.026 4.698 1.00 0.00 N ATOM 124 CA TRP A 448 3.087 -3.861 4.558 1.00 0.00 C ATOM 125 C TRP A 448 2.266 -3.701 5.828 1.00 0.00 C ATOM 126 O TRP A 448 1.542 -4.628 6.206 1.00 0.00 O ATOM 127 CB TRP A 448 2.147 -4.011 3.369 1.00 0.00 C ATOM 128 CG TRP A 448 2.728 -3.670 2.046 1.00 0.00 C ATOM 129 CD1 TRP A 448 2.946 -4.528 1.027 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.163 -2.359 1.585 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.474 -3.834 -0.041 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.657 -2.503 0.256 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.190 -1.065 2.157 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.202 -1.431 -0.460 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.759 0.010 1.449 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.292 -0.176 0.159 1.00 0.00 C ATOM 0 H TRP A 448 3.761 -5.757 4.008 1.00 0.00 H new ATOM 0 HA TRP A 448 3.714 -2.985 4.392 1.00 0.00 H new ATOM 0 HB2 TRP A 448 1.793 -5.041 3.336 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.274 -3.380 3.536 1.00 0.00 H new ATOM 0 HD1 TRP A 448 2.740 -5.588 1.045 1.00 0.00 H new ATOM 0 HE1 TRP A 448 3.701 -4.256 -0.941 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.773 -0.902 3.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.548 -1.568 -1.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.787 0.990 1.901 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.769 0.647 -0.353 1.00 0.00 H new ATOM 147 N SER A 449 2.372 -2.531 6.454 1.00 0.00 N ATOM 148 CA SER A 449 1.639 -2.209 7.666 1.00 0.00 C ATOM 149 C SER A 449 0.126 -2.326 7.383 1.00 0.00 C ATOM 150 O SER A 449 -0.281 -2.372 6.211 1.00 0.00 O ATOM 151 CB SER A 449 2.052 -0.804 8.124 1.00 0.00 C ATOM 152 OG SER A 449 3.462 -0.661 8.079 1.00 0.00 O ATOM 0 H SER A 449 2.976 -1.776 6.128 1.00 0.00 H new ATOM 0 HA SER A 449 1.871 -2.903 8.474 1.00 0.00 H new ATOM 0 HB2 SER A 449 1.584 -0.055 7.485 1.00 0.00 H new ATOM 0 HB3 SER A 449 1.695 -0.626 9.138 1.00 0.00 H new ATOM 0 HG SER A 449 3.726 -0.290 7.211 1.00 0.00 H new ATOM 158 N PRO A 450 -0.721 -2.393 8.420 1.00 0.00 N ATOM 159 CA PRO A 450 -2.155 -2.513 8.225 1.00 0.00 C ATOM 160 C PRO A 450 -2.701 -1.295 7.486 1.00 0.00 C ATOM 161 O PRO A 450 -2.100 -0.218 7.486 1.00 0.00 O ATOM 162 CB PRO A 450 -2.758 -2.653 9.628 1.00 0.00 C ATOM 163 CG PRO A 450 -1.716 -1.978 10.516 1.00 0.00 C ATOM 164 CD PRO A 450 -0.404 -2.348 9.836 1.00 0.00 C ATOM 0 HA PRO A 450 -2.413 -3.374 7.609 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -3.729 -2.163 9.701 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -2.906 -3.698 9.902 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -1.859 -0.898 10.559 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -1.758 -2.346 11.541 1.00 0.00 H new ATOM 0 HD2 PRO A 450 0.371 -1.611 10.045 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.033 -3.310 10.189 1.00 0.00 H new ATOM 172 N TRP A 451 -3.837 -1.488 6.822 1.00 0.00 N ATOM 173 CA TRP A 451 -4.480 -0.407 6.103 1.00 0.00 C ATOM 174 C TRP A 451 -4.990 0.570 7.152 1.00 0.00 C ATOM 175 O TRP A 451 -5.623 0.151 8.123 1.00 0.00 O ATOM 176 CB TRP A 451 -5.616 -0.950 5.244 1.00 0.00 C ATOM 177 CG TRP A 451 -5.155 -1.663 4.011 1.00 0.00 C ATOM 178 CD1 TRP A 451 -5.268 -2.987 3.771 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.463 -1.107 2.855 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.690 -3.292 2.554 1.00 0.00 N ATOM 181 CE2 TRP A 451 -4.187 -2.165 1.941 1.00 0.00 C ATOM 182 CE3 TRP A 451 -4.025 0.184 2.495 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.500 -1.943 0.740 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -3.364 0.426 1.280 1.00 0.00 C ATOM 185 CH2 TRP A 451 -3.080 -0.642 0.415 1.00 0.00 C ATOM 0 H TRP A 451 -4.325 -2.382 6.770 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.788 0.094 5.426 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -6.218 -1.633 5.844 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -6.266 -0.124 4.953 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.739 -3.700 4.431 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.642 -4.231 2.160 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -4.202 1.008 3.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -3.295 -2.765 0.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -3.075 1.431 1.012 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.538 -0.464 -0.502 1.00 0.00 H new ATOM 196 N SER A 452 -4.719 1.858 6.954 1.00 0.00 N ATOM 197 CA SER A 452 -5.138 2.900 7.881 1.00 0.00 C ATOM 198 C SER A 452 -6.672 2.951 7.914 1.00 0.00 C ATOM 199 O SER A 452 -7.302 2.398 8.818 1.00 0.00 O ATOM 200 CB SER A 452 -4.441 4.219 7.512 1.00 0.00 C ATOM 201 OG SER A 452 -4.593 4.532 6.136 1.00 0.00 O ATOM 0 H SER A 452 -4.203 2.206 6.146 1.00 0.00 H new ATOM 0 HA SER A 452 -4.829 2.689 8.905 1.00 0.00 H new ATOM 0 HB2 SER A 452 -4.852 5.028 8.116 1.00 0.00 H new ATOM 0 HB3 SER A 452 -3.380 4.149 7.753 1.00 0.00 H new ATOM 0 HG SER A 452 -3.857 4.132 5.626 1.00 0.00 H new ATOM 207 N ALA A 453 -7.271 3.572 6.902 1.00 0.00 N ATOM 208 CA ALA A 453 -8.700 3.732 6.703 1.00 0.00 C ATOM 209 C ALA A 453 -8.948 3.880 5.206 1.00 0.00 C ATOM 210 O ALA A 453 -8.005 4.070 4.431 1.00 0.00 O ATOM 211 CB ALA A 453 -9.198 4.984 7.432 1.00 0.00 C ATOM 0 H ALA A 453 -6.731 4.004 6.152 1.00 0.00 H new ATOM 0 HA ALA A 453 -9.234 2.868 7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.271 5.094 7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -8.995 4.889 8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -8.683 5.862 7.041 1.00 0.00 H new ATOM 217 N CYS A 454 -10.208 3.773 4.791 1.00 0.00 N ATOM 218 CA CYS A 454 -10.609 3.921 3.405 1.00 0.00 C ATOM 219 C CYS A 454 -11.088 5.348 3.236 1.00 0.00 C ATOM 220 O CYS A 454 -11.968 5.799 3.966 1.00 0.00 O ATOM 221 CB CYS A 454 -11.740 2.965 3.025 1.00 0.00 C ATOM 222 SG CYS A 454 -11.362 1.224 3.286 1.00 0.00 S ATOM 0 H CYS A 454 -10.986 3.578 5.421 1.00 0.00 H new ATOM 0 HA CYS A 454 -9.763 3.688 2.759 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -12.627 3.222 3.604 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -11.990 3.116 1.975 1.00 0.00 H new ATOM 227 N SER A 455 -10.556 6.020 2.222 1.00 0.00 N ATOM 228 CA SER A 455 -10.920 7.397 1.912 1.00 0.00 C ATOM 229 C SER A 455 -12.445 7.496 1.690 1.00 0.00 C ATOM 230 O SER A 455 -13.050 8.507 2.044 1.00 0.00 O ATOM 231 CB SER A 455 -10.074 7.889 0.730 1.00 0.00 C ATOM 232 OG SER A 455 -10.027 9.303 0.599 1.00 0.00 O ATOM 0 H SER A 455 -9.859 5.625 1.591 1.00 0.00 H new ATOM 0 HA SER A 455 -10.698 8.063 2.746 1.00 0.00 H new ATOM 0 HB2 SER A 455 -9.058 7.511 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.473 7.463 -0.191 1.00 0.00 H new ATOM 0 HG SER A 455 -9.471 9.542 -0.172 1.00 0.00 H new ATOM 238 N SER A 456 -13.090 6.463 1.136 1.00 0.00 N ATOM 239 CA SER A 456 -14.528 6.438 0.909 1.00 0.00 C ATOM 240 C SER A 456 -15.279 6.041 2.182 1.00 0.00 C ATOM 241 O SER A 456 -15.055 4.952 2.719 1.00 0.00 O ATOM 242 CB SER A 456 -14.864 5.420 -0.183 1.00 0.00 C ATOM 243 OG SER A 456 -14.490 5.946 -1.423 1.00 0.00 O ATOM 0 H SER A 456 -12.616 5.613 0.831 1.00 0.00 H new ATOM 0 HA SER A 456 -14.834 7.439 0.607 1.00 0.00 H new ATOM 0 HB2 SER A 456 -14.340 4.482 0.002 1.00 0.00 H new ATOM 0 HB3 SER A 456 -15.931 5.196 -0.175 1.00 0.00 H new ATOM 0 HG SER A 456 -14.714 6.900 -1.455 1.00 0.00 H new ATOM 249 N SER A 457 -16.183 6.901 2.646 1.00 0.00 N ATOM 250 CA SER A 457 -17.026 6.673 3.817 1.00 0.00 C ATOM 251 C SER A 457 -18.460 6.318 3.373 1.00 0.00 C ATOM 252 O SER A 457 -19.342 6.165 4.216 1.00 0.00 O ATOM 253 CB SER A 457 -16.987 7.866 4.776 1.00 0.00 C ATOM 254 OG SER A 457 -15.678 8.103 5.271 1.00 0.00 O ATOM 0 H SER A 457 -16.354 7.804 2.203 1.00 0.00 H new ATOM 0 HA SER A 457 -16.632 5.824 4.375 1.00 0.00 H new ATOM 0 HB2 SER A 457 -17.348 8.757 4.262 1.00 0.00 H new ATOM 0 HB3 SER A 457 -17.664 7.683 5.611 1.00 0.00 H new ATOM 0 HG SER A 457 -15.692 8.872 5.878 1.00 0.00 H new ATOM 260 N THR A 458 -18.698 6.165 2.064 1.00 0.00 N ATOM 261 CA THR A 458 -19.962 5.801 1.432 1.00 0.00 C ATOM 262 C THR A 458 -19.674 4.670 0.440 1.00 0.00 C ATOM 263 O THR A 458 -18.510 4.443 0.103 1.00 0.00 O ATOM 264 CB THR A 458 -20.605 7.012 0.742 1.00 0.00 C ATOM 265 OG1 THR A 458 -19.738 7.591 -0.219 1.00 0.00 O ATOM 266 CG2 THR A 458 -21.037 8.059 1.756 1.00 0.00 C ATOM 0 H THR A 458 -17.958 6.303 1.376 1.00 0.00 H new ATOM 0 HA THR A 458 -20.678 5.463 2.181 1.00 0.00 H new ATOM 0 HB THR A 458 -21.490 6.646 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 458 -20.181 8.358 -0.639 1.00 0.00 H new ATOM 0 HG21 THR A 458 -21.489 8.904 1.236 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.764 7.624 2.441 1.00 0.00 H new ATOM 0 HG23 THR A 458 -20.168 8.401 2.318 1.00 0.00 H new ATOM 274 N CYS A 459 -20.697 3.986 -0.078 1.00 0.00 N ATOM 275 CA CYS A 459 -20.585 2.869 -1.027 1.00 0.00 C ATOM 276 C CYS A 459 -19.924 3.237 -2.376 1.00 0.00 C ATOM 277 O CYS A 459 -20.073 2.509 -3.353 1.00 0.00 O ATOM 278 CB CYS A 459 -21.965 2.219 -1.227 1.00 0.00 C ATOM 279 SG CYS A 459 -22.066 0.446 -1.625 1.00 0.00 S ATOM 0 H CYS A 459 -21.665 4.201 0.160 1.00 0.00 H new ATOM 0 HA CYS A 459 -19.901 2.148 -0.580 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -22.539 2.383 -0.315 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -22.471 2.763 -2.025 1.00 0.00 H new ATOM 0 HG CYS A 459 -23.313 0.100 -1.750 1.00 0.00 H new ATOM 284 N GLU A 460 -19.292 4.397 -2.515 1.00 0.00 N ATOM 285 CA GLU A 460 -18.596 4.814 -3.724 1.00 0.00 C ATOM 286 C GLU A 460 -17.219 4.121 -3.745 1.00 0.00 C ATOM 287 O GLU A 460 -16.875 3.381 -2.817 1.00 0.00 O ATOM 288 CB GLU A 460 -18.439 6.343 -3.697 1.00 0.00 C ATOM 289 CG GLU A 460 -17.444 6.845 -2.634 1.00 0.00 C ATOM 290 CD GLU A 460 -17.361 8.368 -2.535 1.00 0.00 C ATOM 291 OE1 GLU A 460 -17.749 9.084 -3.481 1.00 0.00 O ATOM 292 OE2 GLU A 460 -16.793 8.880 -1.542 1.00 0.00 O ATOM 0 H GLU A 460 -19.249 5.091 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 460 -19.151 4.536 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -18.110 6.683 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -19.413 6.796 -3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -17.731 6.443 -1.663 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -16.454 6.451 -2.862 1.00 0.00 H new ATOM 299 N LYS A 461 -16.430 4.311 -4.805 1.00 0.00 N ATOM 300 CA LYS A 461 -15.089 3.739 -4.887 1.00 0.00 C ATOM 301 C LYS A 461 -14.126 4.767 -4.313 1.00 0.00 C ATOM 302 O LYS A 461 -14.297 5.972 -4.518 1.00 0.00 O ATOM 303 CB LYS A 461 -14.719 3.406 -6.335 1.00 0.00 C ATOM 304 CG LYS A 461 -15.339 2.078 -6.797 1.00 0.00 C ATOM 305 CD LYS A 461 -14.690 0.817 -6.194 1.00 0.00 C ATOM 306 CE LYS A 461 -13.212 0.682 -6.558 1.00 0.00 C ATOM 307 NZ LYS A 461 -12.674 -0.666 -6.277 1.00 0.00 N ATOM 0 H LYS A 461 -16.701 4.860 -5.621 1.00 0.00 H new ATOM 0 HA LYS A 461 -15.041 2.806 -4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -15.056 4.210 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -13.634 3.352 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.399 2.081 -6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -15.271 2.020 -7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -14.792 0.845 -5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -15.228 -0.065 -6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -13.081 0.907 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -12.636 1.421 -6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -11.700 -0.733 -6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -12.678 -0.834 -5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -13.265 -1.381 -6.747 1.00 0.00 H new ATOM 321 N GLY A 462 -13.097 4.263 -3.646 1.00 0.00 N ATOM 322 CA GLY A 462 -12.031 4.995 -2.997 1.00 0.00 C ATOM 323 C GLY A 462 -10.823 4.093 -2.894 1.00 0.00 C ATOM 324 O GLY A 462 -10.697 3.115 -3.633 1.00 0.00 O ATOM 0 H GLY A 462 -12.982 3.255 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -11.786 5.892 -3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.345 5.322 -2.006 1.00 0.00 H new ATOM 328 N LYS A 463 -9.937 4.402 -1.952 1.00 0.00 N ATOM 329 CA LYS A 463 -8.693 3.673 -1.705 1.00 0.00 C ATOM 330 C LYS A 463 -8.252 3.906 -0.271 1.00 0.00 C ATOM 331 O LYS A 463 -8.805 4.760 0.421 1.00 0.00 O ATOM 332 CB LYS A 463 -7.597 4.083 -2.728 1.00 0.00 C ATOM 333 CG LYS A 463 -7.829 5.462 -3.350 1.00 0.00 C ATOM 334 CD LYS A 463 -6.711 5.965 -4.264 1.00 0.00 C ATOM 335 CE LYS A 463 -7.077 7.392 -4.694 1.00 0.00 C ATOM 336 NZ LYS A 463 -6.025 8.027 -5.510 1.00 0.00 N ATOM 0 H LYS A 463 -10.067 5.191 -1.319 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.862 2.605 -1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -6.627 4.075 -2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -7.555 3.337 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -8.757 5.433 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -7.972 6.185 -2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -5.754 5.955 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -6.606 5.317 -5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -8.007 7.369 -5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -7.260 7.999 -3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -6.323 8.988 -5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -5.143 8.076 -4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -5.867 7.465 -6.371 1.00 0.00 H new ATOM 350 N ARG A 464 -7.319 3.087 0.201 1.00 0.00 N ATOM 351 CA ARG A 464 -6.741 3.139 1.535 1.00 0.00 C ATOM 352 C ARG A 464 -5.293 3.559 1.394 1.00 0.00 C ATOM 353 O ARG A 464 -4.780 3.609 0.279 1.00 0.00 O ATOM 354 CB ARG A 464 -6.810 1.749 2.175 1.00 0.00 C ATOM 355 CG ARG A 464 -8.248 1.288 2.324 1.00 0.00 C ATOM 356 CD ARG A 464 -8.351 -0.195 2.625 1.00 0.00 C ATOM 357 NE ARG A 464 -8.055 -1.093 1.496 1.00 0.00 N ATOM 358 CZ ARG A 464 -8.105 -2.430 1.596 1.00 0.00 C ATOM 359 NH1 ARG A 464 -8.419 -3.021 2.748 1.00 0.00 N ATOM 360 NH2 ARG A 464 -7.836 -3.190 0.541 1.00 0.00 N ATOM 0 H ARG A 464 -6.928 2.334 -0.364 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.286 3.844 2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -6.258 1.036 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.329 1.771 3.153 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.727 1.853 3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -8.794 1.509 1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -7.669 -0.430 3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -9.359 -0.407 2.980 1.00 0.00 H new ATOM 0 HE ARG A 464 -7.801 -0.680 0.598 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -8.626 -2.456 3.571 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -8.452 -4.039 2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -7.590 -2.758 -0.350 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -7.875 -4.206 0.621 1.00 0.00 H new ATOM 374 N MET A 465 -4.621 3.785 2.517 1.00 0.00 N ATOM 375 CA MET A 465 -3.225 4.178 2.555 1.00 0.00 C ATOM 376 C MET A 465 -2.520 3.295 3.576 1.00 0.00 C ATOM 377 O MET A 465 -3.096 2.975 4.623 1.00 0.00 O ATOM 378 CB MET A 465 -3.152 5.649 2.982 1.00 0.00 C ATOM 379 CG MET A 465 -1.718 6.138 3.224 1.00 0.00 C ATOM 380 SD MET A 465 -1.618 7.785 3.957 1.00 0.00 S ATOM 381 CE MET A 465 -2.234 7.409 5.621 1.00 0.00 C ATOM 0 H MET A 465 -5.043 3.697 3.442 1.00 0.00 H new ATOM 0 HA MET A 465 -2.748 4.063 1.581 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.615 6.267 2.213 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.734 5.785 3.893 1.00 0.00 H new ATOM 0 HG2 MET A 465 -1.209 5.429 3.877 1.00 0.00 H new ATOM 0 HG3 MET A 465 -1.181 6.140 2.276 1.00 0.00 H new ATOM 0 HE1 MET A 465 -1.951 8.210 6.303 1.00 0.00 H new ATOM 0 HE2 MET A 465 -3.320 7.321 5.596 1.00 0.00 H new ATOM 0 HE3 MET A 465 -1.802 6.470 5.965 1.00 0.00 H new ATOM 391 N ARG A 466 -1.292 2.892 3.272 1.00 0.00 N ATOM 392 CA ARG A 466 -0.431 2.088 4.124 1.00 0.00 C ATOM 393 C ARG A 466 0.994 2.446 3.749 1.00 0.00 C ATOM 394 O ARG A 466 1.258 2.985 2.669 1.00 0.00 O ATOM 395 CB ARG A 466 -0.695 0.581 3.996 1.00 0.00 C ATOM 396 CG ARG A 466 -0.282 0.025 2.633 1.00 0.00 C ATOM 397 CD ARG A 466 -0.593 -1.462 2.601 1.00 0.00 C ATOM 398 NE ARG A 466 -0.126 -2.069 1.349 1.00 0.00 N ATOM 399 CZ ARG A 466 -0.504 -3.261 0.889 1.00 0.00 C ATOM 400 NH1 ARG A 466 -1.136 -4.119 1.679 1.00 0.00 N ATOM 401 NH2 ARG A 466 -0.270 -3.595 -0.366 1.00 0.00 N ATOM 0 H ARG A 466 -0.851 3.129 2.383 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.632 2.308 5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.151 0.053 4.779 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.755 0.387 4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.818 0.541 1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 466 0.781 0.193 2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 466 -0.117 -1.955 3.448 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.667 -1.615 2.705 1.00 0.00 H new ATOM 0 HE ARG A 466 0.539 -1.537 0.788 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -1.336 -3.868 2.647 1.00 0.00 H new ATOM 0 HH12 ARG A 466 -1.422 -5.029 1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.202 -2.939 -0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 466 -0.561 -4.509 -0.713 1.00 0.00 H new ATOM 415 N GLN A 467 1.910 2.110 4.636 1.00 0.00 N ATOM 416 CA GLN A 467 3.322 2.347 4.465 1.00 0.00 C ATOM 417 C GLN A 467 4.054 1.118 4.978 1.00 0.00 C ATOM 418 O GLN A 467 3.458 0.236 5.605 1.00 0.00 O ATOM 419 CB GLN A 467 3.761 3.635 5.195 1.00 0.00 C ATOM 420 CG GLN A 467 3.464 3.683 6.707 1.00 0.00 C ATOM 421 CD GLN A 467 2.005 3.998 7.026 1.00 0.00 C ATOM 422 OE1 GLN A 467 1.456 4.995 6.568 1.00 0.00 O ATOM 423 NE2 GLN A 467 1.340 3.175 7.817 1.00 0.00 N ATOM 0 H GLN A 467 1.682 1.652 5.518 1.00 0.00 H new ATOM 0 HA GLN A 467 3.563 2.504 3.414 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.834 3.765 5.050 1.00 0.00 H new ATOM 0 HB3 GLN A 467 3.270 4.485 4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 467 3.727 2.724 7.153 1.00 0.00 H new ATOM 0 HG3 GLN A 467 4.101 4.436 7.172 1.00 0.00 H new ATOM 0 HE21 GLN A 467 1.801 2.347 8.195 1.00 0.00 H new ATOM 0 HE22 GLN A 467 0.366 3.367 8.049 1.00 0.00 H new ATOM 432 N ARG A 468 5.336 1.021 4.672 1.00 0.00 N ATOM 433 CA ARG A 468 6.199 -0.065 5.129 1.00 0.00 C ATOM 434 C ARG A 468 7.548 0.552 5.417 1.00 0.00 C ATOM 435 O ARG A 468 7.835 1.643 4.925 1.00 0.00 O ATOM 436 CB ARG A 468 6.289 -1.248 4.150 1.00 0.00 C ATOM 437 CG ARG A 468 6.838 -0.861 2.779 1.00 0.00 C ATOM 438 CD ARG A 468 6.831 -2.041 1.806 1.00 0.00 C ATOM 439 NE ARG A 468 7.228 -1.601 0.460 1.00 0.00 N ATOM 440 CZ ARG A 468 7.303 -2.351 -0.644 1.00 0.00 C ATOM 441 NH1 ARG A 468 7.357 -3.674 -0.593 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.297 -1.740 -1.817 1.00 0.00 N ATOM 0 H ARG A 468 5.819 1.704 4.089 1.00 0.00 H new ATOM 0 HA ARG A 468 5.774 -0.517 6.025 1.00 0.00 H new ATOM 0 HB2 ARG A 468 6.925 -2.020 4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.298 -1.684 4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.242 -0.047 2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 468 7.856 -0.487 2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.513 -2.814 2.158 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.836 -2.485 1.771 1.00 0.00 H new ATOM 0 HE ARG A 468 7.473 -0.616 0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 468 7.342 -4.151 0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 468 7.414 -4.216 -1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 468 7.236 -0.723 -1.862 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.353 -2.286 -2.677 1.00 0.00 H new ATOM 456 N MET A 469 8.374 -0.131 6.194 1.00 0.00 N ATOM 457 CA MET A 469 9.694 0.371 6.526 1.00 0.00 C ATOM 458 C MET A 469 10.724 -0.409 5.732 1.00 0.00 C ATOM 459 O MET A 469 10.517 -1.572 5.369 1.00 0.00 O ATOM 460 CB MET A 469 9.928 0.301 8.038 1.00 0.00 C ATOM 461 CG MET A 469 11.164 1.105 8.472 1.00 0.00 C ATOM 462 SD MET A 469 11.227 2.853 7.988 1.00 0.00 S ATOM 463 CE MET A 469 9.644 3.441 8.641 1.00 0.00 C ATOM 0 H MET A 469 8.151 -1.037 6.607 1.00 0.00 H new ATOM 0 HA MET A 469 9.784 1.423 6.254 1.00 0.00 H new ATOM 0 HB2 MET A 469 9.049 0.681 8.558 1.00 0.00 H new ATOM 0 HB3 MET A 469 10.050 -0.740 8.337 1.00 0.00 H new ATOM 0 HG2 MET A 469 11.237 1.052 9.558 1.00 0.00 H new ATOM 0 HG3 MET A 469 12.048 0.611 8.069 1.00 0.00 H new ATOM 0 HE1 MET A 469 9.579 4.522 8.518 1.00 0.00 H new ATOM 0 HE2 MET A 469 8.827 2.964 8.099 1.00 0.00 H new ATOM 0 HE3 MET A 469 9.572 3.191 9.699 1.00 0.00 H new ATOM 473 N LEU A 470 11.835 0.253 5.435 1.00 0.00 N ATOM 474 CA LEU A 470 12.926 -0.337 4.695 1.00 0.00 C ATOM 475 C LEU A 470 13.712 -1.240 5.645 1.00 0.00 C ATOM 476 O LEU A 470 14.048 -0.828 6.756 1.00 0.00 O ATOM 477 CB LEU A 470 13.755 0.801 4.066 1.00 0.00 C ATOM 478 CG LEU A 470 14.562 0.398 2.824 1.00 0.00 C ATOM 479 CD1 LEU A 470 15.709 -0.527 3.224 1.00 0.00 C ATOM 480 CD2 LEU A 470 13.594 -0.205 1.800 1.00 0.00 C ATOM 0 H LEU A 470 11.999 1.222 5.707 1.00 0.00 H new ATOM 0 HA LEU A 470 12.590 -0.967 3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 470 13.083 1.616 3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.442 1.190 4.818 1.00 0.00 H new ATOM 0 HG LEU A 470 15.037 1.259 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.276 -0.808 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.365 -0.011 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 470 15.306 -1.423 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 470 14.146 -0.499 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 470 13.107 -1.080 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 470 12.840 0.535 1.533 1.00 0.00 H new ATOM 492 N LYS A 471 13.901 -2.510 5.276 1.00 0.00 N ATOM 493 CA LYS A 471 14.642 -3.483 6.077 1.00 0.00 C ATOM 494 C LYS A 471 16.126 -3.313 5.778 1.00 0.00 C ATOM 495 O LYS A 471 16.901 -3.064 6.696 1.00 0.00 O ATOM 496 CB LYS A 471 14.142 -4.918 5.826 1.00 0.00 C ATOM 497 CG LYS A 471 12.891 -5.246 6.655 1.00 0.00 C ATOM 498 CD LYS A 471 12.816 -6.694 7.158 1.00 0.00 C ATOM 499 CE LYS A 471 12.859 -7.754 6.052 1.00 0.00 C ATOM 500 NZ LYS A 471 11.585 -7.926 5.320 1.00 0.00 N ATOM 0 H LYS A 471 13.539 -2.894 4.403 1.00 0.00 H new ATOM 0 HA LYS A 471 14.475 -3.302 7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 471 13.918 -5.043 4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 471 14.934 -5.626 6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 471 12.855 -4.575 7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.007 -5.039 6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 471 13.644 -6.870 7.845 1.00 0.00 H new ATOM 0 HD3 LYS A 471 11.896 -6.820 7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 471 13.640 -7.487 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 471 13.143 -8.710 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 11.620 -8.804 4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 10.799 -7.977 5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 11.439 -7.118 4.682 1.00 0.00 H new ATOM 514 N ALA A 472 16.541 -3.471 4.520 1.00 0.00 N ATOM 515 CA ALA A 472 17.931 -3.323 4.092 1.00 0.00 C ATOM 516 C ALA A 472 17.945 -3.012 2.601 1.00 0.00 C ATOM 517 O ALA A 472 17.051 -3.447 1.882 1.00 0.00 O ATOM 518 CB ALA A 472 18.704 -4.618 4.355 1.00 0.00 C ATOM 0 H ALA A 472 15.908 -3.710 3.757 1.00 0.00 H new ATOM 0 HA ALA A 472 18.405 -2.516 4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.738 -4.496 4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.681 -4.846 5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 472 18.244 -5.435 3.799 1.00 0.00 H new ATOM 524 N GLN A 473 18.932 -2.272 2.108 1.00 0.00 N ATOM 525 CA GLN A 473 19.066 -1.911 0.698 1.00 0.00 C ATOM 526 C GLN A 473 20.379 -2.505 0.204 1.00 0.00 C ATOM 527 O GLN A 473 21.393 -2.408 0.896 1.00 0.00 O ATOM 528 CB GLN A 473 18.949 -0.380 0.518 1.00 0.00 C ATOM 529 CG GLN A 473 20.144 0.400 1.085 1.00 0.00 C ATOM 530 CD GLN A 473 19.851 1.884 1.298 1.00 0.00 C ATOM 531 OE1 GLN A 473 19.726 2.323 2.438 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.742 2.677 0.251 1.00 0.00 N ATOM 0 H GLN A 473 19.680 -1.896 2.691 1.00 0.00 H new ATOM 0 HA GLN A 473 18.260 -2.321 0.090 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.850 -0.154 -0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 473 18.037 -0.034 1.004 1.00 0.00 H new ATOM 0 HG2 GLN A 473 20.441 -0.044 2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.991 0.298 0.406 1.00 0.00 H new ATOM 0 HE21 GLN A 473 19.848 2.297 -0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.551 3.670 0.381 1.00 0.00 H new ATOM 541 N LEU A 474 20.352 -3.168 -0.951 1.00 0.00 N ATOM 542 CA LEU A 474 21.546 -3.777 -1.540 1.00 0.00 C ATOM 543 C LEU A 474 22.449 -2.709 -2.156 1.00 0.00 C ATOM 544 O LEU A 474 23.579 -3.019 -2.534 1.00 0.00 O ATOM 545 CB LEU A 474 21.171 -4.751 -2.664 1.00 0.00 C ATOM 546 CG LEU A 474 20.637 -6.119 -2.218 1.00 0.00 C ATOM 547 CD1 LEU A 474 19.237 -6.076 -1.591 1.00 0.00 C ATOM 548 CD2 LEU A 474 20.597 -7.042 -3.435 1.00 0.00 C ATOM 0 H LEU A 474 19.505 -3.299 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 474 22.060 -4.303 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 474 20.418 -4.276 -3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 474 22.051 -4.912 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 474 21.312 -6.480 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 474 18.936 -7.083 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 474 19.253 -5.437 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 474 18.526 -5.677 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 474 20.220 -8.020 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 474 19.941 -6.615 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 474 21.602 -7.150 -3.843 1.00 0.00 H new ATOM 560 N ASP A 475 21.941 -1.484 -2.271 1.00 0.00 N ATOM 561 CA ASP A 475 22.592 -0.319 -2.835 1.00 0.00 C ATOM 562 C ASP A 475 22.540 0.811 -1.816 1.00 0.00 C ATOM 563 O ASP A 475 21.562 1.554 -1.769 1.00 0.00 O ATOM 564 CB ASP A 475 21.856 0.105 -4.121 1.00 0.00 C ATOM 565 CG ASP A 475 22.317 -0.599 -5.385 1.00 0.00 C ATOM 566 OD1 ASP A 475 23.539 -0.799 -5.563 1.00 0.00 O ATOM 567 OD2 ASP A 475 21.442 -0.873 -6.228 1.00 0.00 O ATOM 0 H ASP A 475 20.997 -1.272 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 475 23.630 -0.549 -3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 475 20.790 -0.079 -3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 475 21.980 1.180 -4.255 1.00 0.00 H new ATOM 572 N LEU A 476 23.559 0.969 -0.969 1.00 0.00 N ATOM 573 CA LEU A 476 23.598 2.054 0.025 1.00 0.00 C ATOM 574 C LEU A 476 23.681 3.429 -0.664 1.00 0.00 C ATOM 575 O LEU A 476 23.451 4.470 -0.033 1.00 0.00 O ATOM 576 CB LEU A 476 24.786 1.863 0.988 1.00 0.00 C ATOM 577 CG LEU A 476 24.473 1.140 2.310 1.00 0.00 C ATOM 578 CD1 LEU A 476 23.463 1.908 3.179 1.00 0.00 C ATOM 579 CD2 LEU A 476 23.973 -0.287 2.079 1.00 0.00 C ATOM 0 H LEU A 476 24.375 0.357 -0.949 1.00 0.00 H new ATOM 0 HA LEU A 476 22.674 2.017 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.564 1.305 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 476 25.200 2.844 1.222 1.00 0.00 H new ATOM 0 HG LEU A 476 25.419 1.096 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 476 23.279 1.353 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 476 23.866 2.891 3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 476 22.527 2.025 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 476 23.765 -0.759 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 476 23.062 -0.261 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.736 -0.859 1.551 1.00 0.00 H new ATOM 591 N SER A 477 23.991 3.436 -1.960 1.00 0.00 N ATOM 592 CA SER A 477 24.120 4.600 -2.812 1.00 0.00 C ATOM 593 C SER A 477 22.805 4.983 -3.493 1.00 0.00 C ATOM 594 O SER A 477 22.763 6.005 -4.181 1.00 0.00 O ATOM 595 CB SER A 477 25.236 4.294 -3.821 1.00 0.00 C ATOM 596 OG SER A 477 25.794 5.467 -4.376 1.00 0.00 O ATOM 0 H SER A 477 24.169 2.569 -2.468 1.00 0.00 H new ATOM 0 HA SER A 477 24.378 5.475 -2.215 1.00 0.00 H new ATOM 0 HB2 SER A 477 26.020 3.719 -3.329 1.00 0.00 H new ATOM 0 HB3 SER A 477 24.838 3.670 -4.621 1.00 0.00 H new ATOM 0 HG SER A 477 25.084 6.125 -4.532 1.00 0.00 H new ATOM 602 N VAL A 478 21.726 4.215 -3.315 1.00 0.00 N ATOM 603 CA VAL A 478 20.446 4.502 -3.950 1.00 0.00 C ATOM 604 C VAL A 478 19.320 4.136 -2.973 1.00 0.00 C ATOM 605 O VAL A 478 19.262 2.991 -2.529 1.00 0.00 O ATOM 606 CB VAL A 478 20.357 3.679 -5.246 1.00 0.00 C ATOM 607 CG1 VAL A 478 19.037 3.953 -5.981 1.00 0.00 C ATOM 608 CG2 VAL A 478 21.493 3.952 -6.240 1.00 0.00 C ATOM 0 H VAL A 478 21.720 3.381 -2.728 1.00 0.00 H new ATOM 0 HA VAL A 478 20.351 5.559 -4.200 1.00 0.00 H new ATOM 0 HB VAL A 478 20.428 2.643 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.999 3.359 -6.894 1.00 0.00 H new ATOM 0 HG12 VAL A 478 18.200 3.684 -5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.974 5.011 -6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 478 21.357 3.333 -7.127 1.00 0.00 H new ATOM 0 HG22 VAL A 478 21.481 5.004 -6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 478 22.449 3.714 -5.774 1.00 0.00 H new ATOM 618 N PRO A 479 18.432 5.072 -2.606 1.00 0.00 N ATOM 619 CA PRO A 479 17.342 4.785 -1.685 1.00 0.00 C ATOM 620 C PRO A 479 16.259 3.912 -2.331 1.00 0.00 C ATOM 621 O PRO A 479 16.262 3.652 -3.537 1.00 0.00 O ATOM 622 CB PRO A 479 16.803 6.157 -1.283 1.00 0.00 C ATOM 623 CG PRO A 479 17.050 7.003 -2.531 1.00 0.00 C ATOM 624 CD PRO A 479 18.379 6.456 -3.051 1.00 0.00 C ATOM 0 HA PRO A 479 17.680 4.211 -0.822 1.00 0.00 H new ATOM 0 HB2 PRO A 479 15.744 6.115 -1.027 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.326 6.557 -0.414 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.251 6.888 -3.263 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.114 8.065 -2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.431 6.521 -4.138 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.219 7.027 -2.657 1.00 0.00 H new ATOM 632 N CYS A 480 15.289 3.511 -1.507 1.00 0.00 N ATOM 633 CA CYS A 480 14.163 2.674 -1.898 1.00 0.00 C ATOM 634 C CYS A 480 12.845 3.290 -1.387 1.00 0.00 C ATOM 635 O CYS A 480 12.241 2.757 -0.452 1.00 0.00 O ATOM 636 CB CYS A 480 14.424 1.269 -1.356 1.00 0.00 C ATOM 637 SG CYS A 480 15.849 0.385 -2.057 1.00 0.00 S ATOM 0 H CYS A 480 15.269 3.770 -0.521 1.00 0.00 H new ATOM 0 HA CYS A 480 14.062 2.612 -2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 480 14.562 1.339 -0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 480 13.531 0.666 -1.524 1.00 0.00 H new ATOM 642 N PRO A 481 12.367 4.387 -2.003 1.00 0.00 N ATOM 643 CA PRO A 481 11.144 5.117 -1.644 1.00 0.00 C ATOM 644 C PRO A 481 9.799 4.392 -1.838 1.00 0.00 C ATOM 645 O PRO A 481 8.756 5.008 -1.607 1.00 0.00 O ATOM 646 CB PRO A 481 11.195 6.397 -2.488 1.00 0.00 C ATOM 647 CG PRO A 481 11.990 5.976 -3.720 1.00 0.00 C ATOM 648 CD PRO A 481 13.035 5.072 -3.101 1.00 0.00 C ATOM 0 HA PRO A 481 11.153 5.273 -0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.196 6.744 -2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 481 11.684 7.212 -1.953 1.00 0.00 H new ATOM 0 HG2 PRO A 481 11.372 5.452 -4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.435 6.828 -4.233 1.00 0.00 H new ATOM 0 HD2 PRO A 481 13.418 4.359 -3.832 1.00 0.00 H new ATOM 0 HD3 PRO A 481 13.887 5.649 -2.741 1.00 0.00 H new ATOM 656 N ASP A 482 9.765 3.117 -2.239 1.00 0.00 N ATOM 657 CA ASP A 482 8.519 2.341 -2.439 1.00 0.00 C ATOM 658 C ASP A 482 7.855 1.960 -1.103 1.00 0.00 C ATOM 659 O ASP A 482 7.206 0.921 -0.971 1.00 0.00 O ATOM 660 CB ASP A 482 8.750 1.049 -3.235 1.00 0.00 C ATOM 661 CG ASP A 482 9.473 1.249 -4.547 1.00 0.00 C ATOM 662 OD1 ASP A 482 8.826 1.688 -5.525 1.00 0.00 O ATOM 663 OD2 ASP A 482 10.690 0.957 -4.590 1.00 0.00 O ATOM 0 H ASP A 482 10.609 2.580 -2.439 1.00 0.00 H new ATOM 0 HA ASP A 482 7.863 3.002 -3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.322 0.354 -2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 482 7.786 0.580 -3.432 1.00 0.00 H new ATOM 668 N THR A 483 8.054 2.747 -0.059 1.00 0.00 N ATOM 669 CA THR A 483 7.539 2.555 1.279 1.00 0.00 C ATOM 670 C THR A 483 6.095 3.067 1.435 1.00 0.00 C ATOM 671 O THR A 483 5.641 3.258 2.564 1.00 0.00 O ATOM 672 CB THR A 483 8.579 3.184 2.235 1.00 0.00 C ATOM 673 OG1 THR A 483 9.058 4.423 1.746 1.00 0.00 O ATOM 674 CG2 THR A 483 9.798 2.259 2.360 1.00 0.00 C ATOM 0 H THR A 483 8.618 3.593 -0.133 1.00 0.00 H new ATOM 0 HA THR A 483 7.429 1.499 1.528 1.00 0.00 H new ATOM 0 HB THR A 483 8.080 3.329 3.193 1.00 0.00 H new ATOM 0 HG1 THR A 483 9.875 4.275 1.225 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.527 2.707 3.035 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.483 1.293 2.756 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.250 2.119 1.378 1.00 0.00 H new ATOM 682 N GLN A 484 5.353 3.262 0.334 1.00 0.00 N ATOM 683 CA GLN A 484 3.977 3.763 0.301 1.00 0.00 C ATOM 684 C GLN A 484 3.107 2.939 -0.649 1.00 0.00 C ATOM 685 O GLN A 484 3.543 2.630 -1.762 1.00 0.00 O ATOM 686 CB GLN A 484 3.990 5.184 -0.289 1.00 0.00 C ATOM 687 CG GLN A 484 4.892 6.206 0.393 1.00 0.00 C ATOM 688 CD GLN A 484 4.233 6.973 1.531 1.00 0.00 C ATOM 689 OE1 GLN A 484 3.039 6.899 1.817 1.00 0.00 O ATOM 690 NE2 GLN A 484 5.027 7.797 2.166 1.00 0.00 N ATOM 0 H GLN A 484 5.716 3.065 -0.599 1.00 0.00 H new ATOM 0 HA GLN A 484 3.585 3.719 1.317 1.00 0.00 H new ATOM 0 HB2 GLN A 484 4.287 5.114 -1.335 1.00 0.00 H new ATOM 0 HB3 GLN A 484 2.970 5.567 -0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 484 5.772 5.693 0.780 1.00 0.00 H new ATOM 0 HG3 GLN A 484 5.241 6.919 -0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 484 6.015 7.847 1.917 1.00 0.00 H new ATOM 0 HE22 GLN A 484 4.658 8.389 2.910 1.00 0.00 H new ATOM 699 N ASP A 485 1.869 2.625 -0.261 1.00 0.00 N ATOM 700 CA ASP A 485 0.951 1.874 -1.127 1.00 0.00 C ATOM 701 C ASP A 485 -0.483 2.325 -0.902 1.00 0.00 C ATOM 702 O ASP A 485 -0.866 2.642 0.230 1.00 0.00 O ATOM 703 CB ASP A 485 1.039 0.365 -0.886 1.00 0.00 C ATOM 704 CG ASP A 485 0.834 -0.495 -2.128 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.504 0.028 -3.217 1.00 0.00 O ATOM 706 OD2 ASP A 485 1.056 -1.724 -2.022 1.00 0.00 O ATOM 0 H ASP A 485 1.477 2.878 0.646 1.00 0.00 H new ATOM 0 HA ASP A 485 1.251 2.078 -2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.016 0.136 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 485 0.293 0.086 -0.141 1.00 0.00 H new ATOM 711 N PHE A 486 -1.282 2.317 -1.970 1.00 0.00 N ATOM 712 CA PHE A 486 -2.676 2.724 -1.951 1.00 0.00 C ATOM 713 C PHE A 486 -3.490 1.790 -2.841 1.00 0.00 C ATOM 714 O PHE A 486 -3.385 1.856 -4.068 1.00 0.00 O ATOM 715 CB PHE A 486 -2.838 4.172 -2.457 1.00 0.00 C ATOM 716 CG PHE A 486 -2.383 5.293 -1.537 1.00 0.00 C ATOM 717 CD1 PHE A 486 -1.012 5.520 -1.299 1.00 0.00 C ATOM 718 CD2 PHE A 486 -3.339 6.160 -0.972 1.00 0.00 C ATOM 719 CE1 PHE A 486 -0.601 6.573 -0.465 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.924 7.249 -0.186 1.00 0.00 C ATOM 721 CZ PHE A 486 -1.557 7.450 0.073 1.00 0.00 C ATOM 0 H PHE A 486 -0.964 2.019 -2.892 1.00 0.00 H new ATOM 0 HA PHE A 486 -3.033 2.673 -0.923 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -2.290 4.264 -3.395 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.892 4.332 -2.686 1.00 0.00 H new ATOM 0 HD1 PHE A 486 -0.274 4.881 -1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -4.391 5.988 -1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 486 0.446 6.708 -0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -3.656 7.932 0.219 1.00 0.00 H new ATOM 0 HZ PHE A 486 -1.241 8.281 0.687 1.00 0.00 H new ATOM 731 N GLN A 487 -4.262 0.877 -2.247 1.00 0.00 N ATOM 732 CA GLN A 487 -5.118 -0.051 -2.988 1.00 0.00 C ATOM 733 C GLN A 487 -6.557 0.437 -2.821 1.00 0.00 C ATOM 734 O GLN A 487 -6.866 1.114 -1.832 1.00 0.00 O ATOM 735 CB GLN A 487 -4.953 -1.507 -2.533 1.00 0.00 C ATOM 736 CG GLN A 487 -3.913 -2.285 -3.349 1.00 0.00 C ATOM 737 CD GLN A 487 -2.501 -1.743 -3.202 1.00 0.00 C ATOM 738 OE1 GLN A 487 -1.835 -2.049 -2.227 1.00 0.00 O ATOM 739 NE2 GLN A 487 -2.005 -0.962 -4.146 1.00 0.00 N ATOM 0 H GLN A 487 -4.311 0.761 -1.235 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.831 -0.056 -4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.664 -1.521 -1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -5.915 -2.014 -2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -3.927 -3.330 -3.039 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -4.196 -2.261 -4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -2.575 -0.715 -4.955 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -1.053 -0.606 -4.065 1.00 0.00 H new ATOM 748 N PRO A 488 -7.461 0.075 -3.740 1.00 0.00 N ATOM 749 CA PRO A 488 -8.843 0.516 -3.695 1.00 0.00 C ATOM 750 C PRO A 488 -9.647 -0.024 -2.513 1.00 0.00 C ATOM 751 O PRO A 488 -9.292 -1.030 -1.890 1.00 0.00 O ATOM 752 CB PRO A 488 -9.439 0.082 -5.029 1.00 0.00 C ATOM 753 CG PRO A 488 -8.627 -1.163 -5.370 1.00 0.00 C ATOM 754 CD PRO A 488 -7.233 -0.727 -4.932 1.00 0.00 C ATOM 0 HA PRO A 488 -8.883 1.595 -3.543 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.503 -0.139 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.334 0.855 -5.790 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -8.974 -2.043 -4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.669 -1.405 -6.432 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.598 -1.586 -4.717 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.735 -0.149 -5.710 1.00 0.00 H new ATOM 762 N CYS A 489 -10.743 0.672 -2.212 1.00 0.00 N ATOM 763 CA CYS A 489 -11.694 0.353 -1.153 1.00 0.00 C ATOM 764 C CYS A 489 -13.025 1.036 -1.496 1.00 0.00 C ATOM 765 O CYS A 489 -13.157 1.667 -2.547 1.00 0.00 O ATOM 766 CB CYS A 489 -11.136 0.782 0.216 1.00 0.00 C ATOM 767 SG CYS A 489 -12.122 0.285 1.663 1.00 0.00 S ATOM 0 H CYS A 489 -11.002 1.514 -2.726 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.862 -0.722 -1.084 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -10.133 0.369 0.324 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -11.037 1.867 0.223 1.00 0.00 H new ATOM 772 N MET A 490 -14.024 0.881 -0.636 1.00 0.00 N ATOM 773 CA MET A 490 -15.371 1.423 -0.705 1.00 0.00 C ATOM 774 C MET A 490 -15.804 1.696 0.741 1.00 0.00 C ATOM 775 O MET A 490 -15.063 1.394 1.679 1.00 0.00 O ATOM 776 CB MET A 490 -16.315 0.396 -1.361 1.00 0.00 C ATOM 777 CG MET A 490 -15.910 0.016 -2.790 1.00 0.00 C ATOM 778 SD MET A 490 -16.904 -1.287 -3.569 1.00 0.00 S ATOM 779 CE MET A 490 -16.425 -2.741 -2.588 1.00 0.00 C ATOM 0 H MET A 490 -13.897 0.319 0.206 1.00 0.00 H new ATOM 0 HA MET A 490 -15.405 2.334 -1.302 1.00 0.00 H new ATOM 0 HB2 MET A 490 -16.341 -0.505 -0.748 1.00 0.00 H new ATOM 0 HB3 MET A 490 -17.327 0.802 -1.375 1.00 0.00 H new ATOM 0 HG2 MET A 490 -15.963 0.909 -3.413 1.00 0.00 H new ATOM 0 HG3 MET A 490 -14.868 -0.304 -2.780 1.00 0.00 H new ATOM 0 HE1 MET A 490 -16.845 -3.639 -3.040 1.00 0.00 H new ATOM 0 HE2 MET A 490 -15.338 -2.821 -2.564 1.00 0.00 H new ATOM 0 HE3 MET A 490 -16.804 -2.635 -1.571 1.00 0.00 H new ATOM 789 N GLY A 491 -16.993 2.250 0.949 1.00 0.00 N ATOM 790 CA GLY A 491 -17.549 2.543 2.268 1.00 0.00 C ATOM 791 C GLY A 491 -18.572 1.472 2.672 1.00 0.00 C ATOM 792 O GLY A 491 -18.490 0.346 2.168 1.00 0.00 O ATOM 0 H GLY A 491 -17.615 2.516 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -16.748 2.585 3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -18.025 3.523 2.259 1.00 0.00 H new