USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 422 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 490 MET CE :methyl 170:sc= -0.14 (180deg=-0.413) USER MOD Set 1.2: A 495 SER OG : rot 160:sc= 0 USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 106:sc= 1.18 USER MOD Single : A 445 TYR OH : rot -99:sc= 0.639 USER MOD Single : A 446 SER OG : rot 84:sc= 1.18 USER MOD Single : A 447 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.018) USER MOD Single : A 449 SER OG : rot 123:sc= 0.0734 USER MOD Single : A 452 SER OG : rot 180:sc= 0.525 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 SER OG : rot -99:sc= 1.01 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 461 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 465 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 GLN : amide:sc= -0.315 K(o=-0.31,f=-2) USER MOD Single : A 469 MET CE :methyl 177:sc= 0 (180deg=-0.0179) USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.47) USER MOD Single : A 477 SER OG : rot -44:sc= 0.0566 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 484 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 487 GLN : amide:sc= 0.0536 X(o=0.054,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 439 11.672 -1.124 -9.912 1.00 0.00 N ATOM 2 CA GLY A 439 12.649 -2.176 -9.610 1.00 0.00 C ATOM 3 C GLY A 439 13.007 -2.167 -8.139 1.00 0.00 C ATOM 4 O GLY A 439 13.757 -1.302 -7.690 1.00 0.00 O ATOM 0 HA2 GLY A 439 12.240 -3.149 -9.884 1.00 0.00 H new ATOM 0 HA3 GLY A 439 13.547 -2.028 -10.209 1.00 0.00 H new ATOM 8 N SER A 440 12.497 -3.151 -7.403 1.00 0.00 N ATOM 9 CA SER A 440 12.677 -3.348 -5.971 1.00 0.00 C ATOM 10 C SER A 440 13.669 -4.465 -5.627 1.00 0.00 C ATOM 11 O SER A 440 13.833 -4.814 -4.461 1.00 0.00 O ATOM 12 CB SER A 440 11.294 -3.612 -5.353 1.00 0.00 C ATOM 13 OG SER A 440 10.664 -4.770 -5.884 1.00 0.00 O ATOM 0 H SER A 440 11.911 -3.876 -7.818 1.00 0.00 H new ATOM 0 HA SER A 440 13.120 -2.446 -5.550 1.00 0.00 H new ATOM 0 HB2 SER A 440 11.399 -3.724 -4.274 1.00 0.00 H new ATOM 0 HB3 SER A 440 10.654 -2.746 -5.523 1.00 0.00 H new ATOM 0 HG SER A 440 9.791 -4.892 -5.457 1.00 0.00 H new ATOM 19 N GLU A 441 14.345 -5.030 -6.629 1.00 0.00 N ATOM 20 CA GLU A 441 15.307 -6.117 -6.451 1.00 0.00 C ATOM 21 C GLU A 441 16.474 -5.756 -5.521 1.00 0.00 C ATOM 22 O GLU A 441 17.003 -6.630 -4.833 1.00 0.00 O ATOM 23 CB GLU A 441 15.802 -6.611 -7.818 1.00 0.00 C ATOM 24 CG GLU A 441 16.489 -5.547 -8.682 1.00 0.00 C ATOM 25 CD GLU A 441 17.255 -6.177 -9.849 1.00 0.00 C ATOM 26 OE1 GLU A 441 16.636 -6.816 -10.732 1.00 0.00 O ATOM 27 OE2 GLU A 441 18.500 -6.053 -9.870 1.00 0.00 O ATOM 0 H GLU A 441 14.237 -4.740 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 441 14.782 -6.929 -5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 441 16.499 -7.434 -7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 441 14.953 -7.014 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 441 15.742 -4.853 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 441 17.176 -4.966 -8.067 1.00 0.00 H new ATOM 34 N THR A 442 16.880 -4.486 -5.474 1.00 0.00 N ATOM 35 CA THR A 442 17.970 -4.012 -4.623 1.00 0.00 C ATOM 36 C THR A 442 17.410 -3.568 -3.262 1.00 0.00 C ATOM 37 O THR A 442 18.130 -2.982 -2.464 1.00 0.00 O ATOM 38 CB THR A 442 18.719 -2.850 -5.315 1.00 0.00 C ATOM 39 OG1 THR A 442 17.841 -1.754 -5.444 1.00 0.00 O ATOM 40 CG2 THR A 442 19.261 -3.193 -6.702 1.00 0.00 C ATOM 0 H THR A 442 16.454 -3.748 -6.035 1.00 0.00 H new ATOM 0 HA THR A 442 18.679 -4.824 -4.459 1.00 0.00 H new ATOM 0 HB THR A 442 19.579 -2.623 -4.685 1.00 0.00 H new ATOM 0 HG1 THR A 442 18.080 -1.065 -4.790 1.00 0.00 H new ATOM 0 HG21 THR A 442 19.772 -2.325 -7.118 1.00 0.00 H new ATOM 0 HG22 THR A 442 19.962 -4.024 -6.623 1.00 0.00 H new ATOM 0 HG23 THR A 442 18.436 -3.476 -7.355 1.00 0.00 H new ATOM 48 N CYS A 443 16.142 -3.836 -2.950 1.00 0.00 N ATOM 49 CA CYS A 443 15.499 -3.427 -1.710 1.00 0.00 C ATOM 50 C CYS A 443 14.938 -4.613 -0.929 1.00 0.00 C ATOM 51 O CYS A 443 14.651 -5.668 -1.493 1.00 0.00 O ATOM 52 CB CYS A 443 14.347 -2.489 -2.095 1.00 0.00 C ATOM 53 SG CYS A 443 14.701 -1.215 -3.348 1.00 0.00 S ATOM 0 H CYS A 443 15.522 -4.356 -3.570 1.00 0.00 H new ATOM 0 HA CYS A 443 16.234 -2.942 -1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 443 13.520 -3.099 -2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 443 14.002 -1.988 -1.191 1.00 0.00 H new ATOM 58 N ILE A 444 14.724 -4.412 0.370 1.00 0.00 N ATOM 59 CA ILE A 444 14.168 -5.333 1.355 1.00 0.00 C ATOM 60 C ILE A 444 13.305 -4.383 2.184 1.00 0.00 C ATOM 61 O ILE A 444 13.822 -3.385 2.685 1.00 0.00 O ATOM 62 CB ILE A 444 15.255 -6.006 2.231 1.00 0.00 C ATOM 63 CG1 ILE A 444 16.386 -6.685 1.431 1.00 0.00 C ATOM 64 CG2 ILE A 444 14.670 -6.986 3.268 1.00 0.00 C ATOM 65 CD1 ILE A 444 15.991 -7.916 0.609 1.00 0.00 C ATOM 0 H ILE A 444 14.958 -3.516 0.798 1.00 0.00 H new ATOM 0 HA ILE A 444 13.636 -6.174 0.911 1.00 0.00 H new ATOM 0 HB ILE A 444 15.707 -5.171 2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 444 16.818 -5.947 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 444 17.171 -6.977 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.480 -7.425 3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 444 13.993 -6.450 3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 444 14.123 -7.776 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 444 16.868 -8.305 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 444 15.591 -8.683 1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 444 15.233 -7.637 -0.122 1.00 0.00 H new ATOM 77 N TYR A 445 12.013 -4.639 2.351 1.00 0.00 N ATOM 78 CA TYR A 445 11.115 -3.776 3.120 1.00 0.00 C ATOM 79 C TYR A 445 10.411 -4.632 4.172 1.00 0.00 C ATOM 80 O TYR A 445 10.354 -5.858 4.040 1.00 0.00 O ATOM 81 CB TYR A 445 10.070 -3.120 2.210 1.00 0.00 C ATOM 82 CG TYR A 445 10.506 -2.638 0.837 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.682 -3.584 -0.187 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.612 -1.264 0.538 1.00 0.00 C ATOM 85 CE1 TYR A 445 10.979 -3.176 -1.492 1.00 0.00 C ATOM 86 CE2 TYR A 445 10.906 -0.843 -0.775 1.00 0.00 C ATOM 87 CZ TYR A 445 11.092 -1.802 -1.799 1.00 0.00 C ATOM 88 OH TYR A 445 11.382 -1.434 -3.077 1.00 0.00 O ATOM 0 H TYR A 445 11.552 -5.458 1.954 1.00 0.00 H new ATOM 0 HA TYR A 445 11.695 -2.984 3.593 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.258 -3.834 2.069 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.654 -2.266 2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 445 10.587 -4.637 0.035 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.467 -0.531 1.318 1.00 0.00 H new ATOM 0 HE1 TYR A 445 11.122 -3.914 -2.267 1.00 0.00 H new ATOM 0 HE2 TYR A 445 10.989 0.210 -0.999 1.00 0.00 H new ATOM 0 HH TYR A 445 12.339 -1.238 -3.152 1.00 0.00 H new ATOM 98 N SER A 446 9.880 -3.998 5.215 1.00 0.00 N ATOM 99 CA SER A 446 9.175 -4.686 6.293 1.00 0.00 C ATOM 100 C SER A 446 7.796 -5.149 5.814 1.00 0.00 C ATOM 101 O SER A 446 7.304 -4.679 4.784 1.00 0.00 O ATOM 102 CB SER A 446 9.036 -3.762 7.511 1.00 0.00 C ATOM 103 OG SER A 446 10.240 -3.085 7.818 1.00 0.00 O ATOM 0 H SER A 446 9.927 -2.986 5.336 1.00 0.00 H new ATOM 0 HA SER A 446 9.753 -5.563 6.586 1.00 0.00 H new ATOM 0 HB2 SER A 446 8.250 -3.031 7.321 1.00 0.00 H new ATOM 0 HB3 SER A 446 8.723 -4.349 8.374 1.00 0.00 H new ATOM 0 HG SER A 446 10.315 -2.283 7.261 1.00 0.00 H new ATOM 109 N ASN A 447 7.150 -6.015 6.597 1.00 0.00 N ATOM 110 CA ASN A 447 5.839 -6.554 6.273 1.00 0.00 C ATOM 111 C ASN A 447 4.816 -5.431 6.151 1.00 0.00 C ATOM 112 O ASN A 447 4.648 -4.672 7.110 1.00 0.00 O ATOM 113 CB ASN A 447 5.386 -7.586 7.314 1.00 0.00 C ATOM 114 CG ASN A 447 4.195 -8.401 6.823 1.00 0.00 C ATOM 115 OD1 ASN A 447 4.331 -9.590 6.551 1.00 0.00 O ATOM 116 ND2 ASN A 447 3.005 -7.837 6.688 1.00 0.00 N ATOM 0 H ASN A 447 7.529 -6.361 7.478 1.00 0.00 H new ATOM 0 HA ASN A 447 5.915 -7.063 5.312 1.00 0.00 H new ATOM 0 HB2 ASN A 447 6.214 -8.256 7.546 1.00 0.00 H new ATOM 0 HB3 ASN A 447 5.120 -7.076 8.240 1.00 0.00 H new ATOM 0 HD21 ASN A 447 2.213 -8.390 6.361 1.00 0.00 H new ATOM 0 HD22 ASN A 447 2.880 -6.850 6.911 1.00 0.00 H new ATOM 123 N TRP A 448 4.118 -5.345 5.015 1.00 0.00 N ATOM 124 CA TRP A 448 3.106 -4.330 4.768 1.00 0.00 C ATOM 125 C TRP A 448 2.090 -4.321 5.905 1.00 0.00 C ATOM 126 O TRP A 448 1.454 -5.341 6.211 1.00 0.00 O ATOM 127 CB TRP A 448 2.362 -4.550 3.447 1.00 0.00 C ATOM 128 CG TRP A 448 3.054 -4.201 2.169 1.00 0.00 C ATOM 129 CD1 TRP A 448 3.452 -5.077 1.224 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.358 -2.880 1.630 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.956 -4.389 0.139 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.936 -3.024 0.337 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.195 -1.570 2.109 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.357 -1.917 -0.419 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.648 -0.457 1.387 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.262 -0.629 0.139 1.00 0.00 C ATOM 0 H TRP A 448 4.246 -5.990 4.235 1.00 0.00 H new ATOM 0 HA TRP A 448 3.627 -3.375 4.707 1.00 0.00 H new ATOM 0 HB2 TRP A 448 2.083 -5.602 3.396 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.436 -3.977 3.489 1.00 0.00 H new ATOM 0 HD1 TRP A 448 3.386 -6.152 1.304 1.00 0.00 H new ATOM 0 HE1 TRP A 448 4.302 -4.837 -0.709 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.707 -1.416 3.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.749 -2.053 -1.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.523 0.536 1.794 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.660 0.223 -0.392 1.00 0.00 H new ATOM 147 N SER A 449 1.980 -3.165 6.540 1.00 0.00 N ATOM 148 CA SER A 449 1.089 -2.855 7.627 1.00 0.00 C ATOM 149 C SER A 449 -0.347 -2.923 7.080 1.00 0.00 C ATOM 150 O SER A 449 -0.552 -2.949 5.853 1.00 0.00 O ATOM 151 CB SER A 449 1.454 -1.443 8.132 1.00 0.00 C ATOM 152 OG SER A 449 2.851 -1.288 8.358 1.00 0.00 O ATOM 0 H SER A 449 2.558 -2.365 6.283 1.00 0.00 H new ATOM 0 HA SER A 449 1.172 -3.552 8.461 1.00 0.00 H new ATOM 0 HB2 SER A 449 1.123 -0.703 7.403 1.00 0.00 H new ATOM 0 HB3 SER A 449 0.915 -1.241 9.058 1.00 0.00 H new ATOM 0 HG SER A 449 3.188 -0.541 7.821 1.00 0.00 H new ATOM 158 N PRO A 450 -1.365 -2.992 7.948 1.00 0.00 N ATOM 159 CA PRO A 450 -2.740 -3.031 7.497 1.00 0.00 C ATOM 160 C PRO A 450 -3.051 -1.699 6.816 1.00 0.00 C ATOM 161 O PRO A 450 -2.369 -0.687 7.007 1.00 0.00 O ATOM 162 CB PRO A 450 -3.592 -3.246 8.749 1.00 0.00 C ATOM 163 CG PRO A 450 -2.725 -2.601 9.825 1.00 0.00 C ATOM 164 CD PRO A 450 -1.315 -2.981 9.396 1.00 0.00 C ATOM 0 HA PRO A 450 -2.939 -3.827 6.779 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -4.568 -2.767 8.668 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -3.771 -4.303 8.946 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -2.860 -1.520 9.859 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -2.962 -2.983 10.818 1.00 0.00 H new ATOM 0 HD2 PRO A 450 -0.582 -2.262 9.762 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -1.030 -3.956 9.790 1.00 0.00 H new ATOM 172 N TRP A 451 -4.075 -1.722 5.975 1.00 0.00 N ATOM 173 CA TRP A 451 -4.485 -0.531 5.271 1.00 0.00 C ATOM 174 C TRP A 451 -5.091 0.465 6.253 1.00 0.00 C ATOM 175 O TRP A 451 -5.750 0.080 7.223 1.00 0.00 O ATOM 176 CB TRP A 451 -5.520 -0.913 4.223 1.00 0.00 C ATOM 177 CG TRP A 451 -4.968 -1.599 3.016 1.00 0.00 C ATOM 178 CD1 TRP A 451 -5.132 -2.899 2.698 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.161 -1.035 1.947 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.472 -3.169 1.519 1.00 0.00 N ATOM 181 CE2 TRP A 451 -3.810 -2.067 1.035 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.688 0.255 1.660 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -2.968 -1.843 -0.062 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -2.869 0.508 0.550 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.476 -0.547 -0.288 1.00 0.00 C ATOM 0 H TRP A 451 -4.631 -2.552 5.769 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.622 -0.071 4.789 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -6.262 -1.564 4.686 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -6.043 -0.011 3.904 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.693 -3.617 3.277 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.475 -4.080 1.060 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -3.962 1.073 2.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -2.701 -2.654 -0.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.541 1.515 0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -1.796 -0.362 -1.106 1.00 0.00 H new ATOM 196 N SER A 452 -4.924 1.749 5.959 1.00 0.00 N ATOM 197 CA SER A 452 -5.428 2.854 6.724 1.00 0.00 C ATOM 198 C SER A 452 -6.939 2.919 6.535 1.00 0.00 C ATOM 199 O SER A 452 -7.553 2.117 5.816 1.00 0.00 O ATOM 200 CB SER A 452 -4.790 4.122 6.115 1.00 0.00 C ATOM 201 OG SER A 452 -5.274 4.352 4.790 1.00 0.00 O ATOM 0 H SER A 452 -4.404 2.050 5.135 1.00 0.00 H new ATOM 0 HA SER A 452 -5.199 2.759 7.785 1.00 0.00 H new ATOM 0 HB2 SER A 452 -5.015 4.984 6.743 1.00 0.00 H new ATOM 0 HB3 SER A 452 -3.705 4.015 6.097 1.00 0.00 H new ATOM 0 HG SER A 452 -4.857 5.161 4.425 1.00 0.00 H new ATOM 207 N ALA A 453 -7.534 3.931 7.147 1.00 0.00 N ATOM 208 CA ALA A 453 -8.941 4.189 7.007 1.00 0.00 C ATOM 209 C ALA A 453 -9.141 4.493 5.518 1.00 0.00 C ATOM 210 O ALA A 453 -8.274 5.123 4.887 1.00 0.00 O ATOM 211 CB ALA A 453 -9.251 5.408 7.860 1.00 0.00 C ATOM 0 H ALA A 453 -7.047 4.591 7.753 1.00 0.00 H new ATOM 0 HA ALA A 453 -9.586 3.368 7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.313 5.644 7.786 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -8.998 5.199 8.899 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -8.665 6.257 7.508 1.00 0.00 H new ATOM 217 N CYS A 454 -10.223 3.997 4.931 1.00 0.00 N ATOM 218 CA CYS A 454 -10.503 4.244 3.531 1.00 0.00 C ATOM 219 C CYS A 454 -11.009 5.665 3.388 1.00 0.00 C ATOM 220 O CYS A 454 -11.799 6.147 4.209 1.00 0.00 O ATOM 221 CB CYS A 454 -11.526 3.258 2.984 1.00 0.00 C ATOM 222 SG CYS A 454 -11.062 1.521 3.198 1.00 0.00 S ATOM 0 H CYS A 454 -10.918 3.422 5.407 1.00 0.00 H new ATOM 0 HA CYS A 454 -9.588 4.109 2.954 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -12.482 3.431 3.477 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -11.674 3.456 1.922 1.00 0.00 H new ATOM 227 N SER A 455 -10.578 6.314 2.312 1.00 0.00 N ATOM 228 CA SER A 455 -10.982 7.681 2.021 1.00 0.00 C ATOM 229 C SER A 455 -12.495 7.721 1.787 1.00 0.00 C ATOM 230 O SER A 455 -13.132 8.715 2.120 1.00 0.00 O ATOM 231 CB SER A 455 -10.198 8.199 0.812 1.00 0.00 C ATOM 232 OG SER A 455 -10.000 9.599 0.887 1.00 0.00 O ATOM 0 H SER A 455 -9.944 5.910 1.623 1.00 0.00 H new ATOM 0 HA SER A 455 -10.757 8.334 2.864 1.00 0.00 H new ATOM 0 HB2 SER A 455 -9.233 7.696 0.759 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.735 7.954 -0.104 1.00 0.00 H new ATOM 0 HG SER A 455 -9.495 9.900 0.103 1.00 0.00 H new ATOM 238 N SER A 456 -13.065 6.677 1.166 1.00 0.00 N ATOM 239 CA SER A 456 -14.504 6.653 0.945 1.00 0.00 C ATOM 240 C SER A 456 -15.104 6.016 2.177 1.00 0.00 C ATOM 241 O SER A 456 -14.930 4.818 2.400 1.00 0.00 O ATOM 242 CB SER A 456 -14.949 5.870 -0.294 1.00 0.00 C ATOM 243 OG SER A 456 -16.303 6.114 -0.603 1.00 0.00 O ATOM 0 H SER A 456 -12.560 5.862 0.819 1.00 0.00 H new ATOM 0 HA SER A 456 -14.839 7.675 0.769 1.00 0.00 H new ATOM 0 HB2 SER A 456 -14.325 6.147 -1.144 1.00 0.00 H new ATOM 0 HB3 SER A 456 -14.800 4.804 -0.124 1.00 0.00 H new ATOM 0 HG SER A 456 -16.854 5.381 -0.258 1.00 0.00 H new ATOM 249 N SER A 457 -15.760 6.819 2.995 1.00 0.00 N ATOM 250 CA SER A 457 -16.420 6.316 4.183 1.00 0.00 C ATOM 251 C SER A 457 -17.789 5.733 3.787 1.00 0.00 C ATOM 252 O SER A 457 -18.545 5.320 4.664 1.00 0.00 O ATOM 253 CB SER A 457 -16.502 7.431 5.228 1.00 0.00 C ATOM 254 OG SER A 457 -16.250 6.895 6.510 1.00 0.00 O ATOM 0 H SER A 457 -15.849 7.826 2.856 1.00 0.00 H new ATOM 0 HA SER A 457 -15.853 5.505 4.641 1.00 0.00 H new ATOM 0 HB2 SER A 457 -15.777 8.212 5.000 1.00 0.00 H new ATOM 0 HB3 SER A 457 -17.488 7.895 5.204 1.00 0.00 H new ATOM 0 HG SER A 457 -16.301 7.609 7.179 1.00 0.00 H new ATOM 260 N THR A 458 -18.112 5.690 2.485 1.00 0.00 N ATOM 261 CA THR A 458 -19.346 5.169 1.919 1.00 0.00 C ATOM 262 C THR A 458 -19.047 4.196 0.785 1.00 0.00 C ATOM 263 O THR A 458 -17.889 4.045 0.371 1.00 0.00 O ATOM 264 CB THR A 458 -20.294 6.306 1.503 1.00 0.00 C ATOM 265 OG1 THR A 458 -19.763 7.065 0.434 1.00 0.00 O ATOM 266 CG2 THR A 458 -20.579 7.261 2.654 1.00 0.00 C ATOM 0 H THR A 458 -17.477 6.040 1.767 1.00 0.00 H new ATOM 0 HA THR A 458 -19.873 4.604 2.688 1.00 0.00 H new ATOM 0 HB THR A 458 -21.218 5.819 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 458 -20.392 7.777 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 458 -21.253 8.048 2.315 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.044 6.714 3.474 1.00 0.00 H new ATOM 0 HG23 THR A 458 -19.645 7.706 2.998 1.00 0.00 H new ATOM 274 N CYS A 459 -20.089 3.542 0.264 1.00 0.00 N ATOM 275 CA CYS A 459 -20.007 2.559 -0.813 1.00 0.00 C ATOM 276 C CYS A 459 -19.382 3.042 -2.119 1.00 0.00 C ATOM 277 O CYS A 459 -19.261 2.222 -3.037 1.00 0.00 O ATOM 278 CB CYS A 459 -21.363 1.887 -1.047 1.00 0.00 C ATOM 279 SG CYS A 459 -21.999 0.921 0.350 1.00 0.00 S ATOM 0 H CYS A 459 -21.043 3.689 0.593 1.00 0.00 H new ATOM 0 HA CYS A 459 -19.293 1.820 -0.449 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -22.093 2.656 -1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -21.280 1.231 -1.914 1.00 0.00 H new ATOM 284 N GLU A 460 -19.000 4.316 -2.242 1.00 0.00 N ATOM 285 CA GLU A 460 -18.345 4.782 -3.454 1.00 0.00 C ATOM 286 C GLU A 460 -16.945 4.151 -3.506 1.00 0.00 C ATOM 287 O GLU A 460 -16.451 3.586 -2.519 1.00 0.00 O ATOM 288 CB GLU A 460 -18.182 6.300 -3.475 1.00 0.00 C ATOM 289 CG GLU A 460 -19.465 7.108 -3.597 1.00 0.00 C ATOM 290 CD GLU A 460 -19.116 8.483 -4.162 1.00 0.00 C ATOM 291 OE1 GLU A 460 -18.958 8.575 -5.401 1.00 0.00 O ATOM 292 OE2 GLU A 460 -18.878 9.433 -3.387 1.00 0.00 O ATOM 0 H GLU A 460 -19.133 5.029 -1.525 1.00 0.00 H new ATOM 0 HA GLU A 460 -18.961 4.496 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -17.671 6.603 -2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -17.530 6.564 -4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -20.174 6.598 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -19.944 7.208 -2.623 1.00 0.00 H new ATOM 299 N LYS A 461 -16.284 4.194 -4.662 1.00 0.00 N ATOM 300 CA LYS A 461 -14.945 3.631 -4.776 1.00 0.00 C ATOM 301 C LYS A 461 -13.960 4.661 -4.272 1.00 0.00 C ATOM 302 O LYS A 461 -13.839 5.744 -4.850 1.00 0.00 O ATOM 303 CB LYS A 461 -14.614 3.211 -6.210 1.00 0.00 C ATOM 304 CG LYS A 461 -15.166 1.817 -6.525 1.00 0.00 C ATOM 305 CD LYS A 461 -14.245 0.699 -6.005 1.00 0.00 C ATOM 306 CE LYS A 461 -14.990 -0.625 -5.803 1.00 0.00 C ATOM 307 NZ LYS A 461 -15.560 -1.190 -7.041 1.00 0.00 N ATOM 0 H LYS A 461 -16.650 4.607 -5.520 1.00 0.00 H new ATOM 0 HA LYS A 461 -14.887 2.723 -4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -15.032 3.936 -6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -13.533 3.217 -6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.154 1.709 -6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -15.290 1.712 -7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -13.427 0.549 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -13.799 1.010 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -14.305 -1.352 -5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -15.794 -0.471 -5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -16.047 -2.083 -6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -16.239 -0.516 -7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -14.797 -1.370 -7.724 1.00 0.00 H new ATOM 321 N GLY A 462 -13.279 4.332 -3.184 1.00 0.00 N ATOM 322 CA GLY A 462 -12.275 5.169 -2.559 1.00 0.00 C ATOM 323 C GLY A 462 -10.939 4.462 -2.646 1.00 0.00 C ATOM 324 O GLY A 462 -10.773 3.535 -3.444 1.00 0.00 O ATOM 0 H GLY A 462 -13.417 3.445 -2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -12.225 6.137 -3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.536 5.360 -1.518 1.00 0.00 H new ATOM 328 N LYS A 463 -9.981 4.895 -1.832 1.00 0.00 N ATOM 329 CA LYS A 463 -8.638 4.338 -1.748 1.00 0.00 C ATOM 330 C LYS A 463 -8.172 4.349 -0.297 1.00 0.00 C ATOM 331 O LYS A 463 -8.726 5.063 0.541 1.00 0.00 O ATOM 332 CB LYS A 463 -7.636 5.137 -2.619 1.00 0.00 C ATOM 333 CG LYS A 463 -7.896 4.995 -4.123 1.00 0.00 C ATOM 334 CD LYS A 463 -6.786 5.630 -4.967 1.00 0.00 C ATOM 335 CE LYS A 463 -7.092 5.340 -6.439 1.00 0.00 C ATOM 336 NZ LYS A 463 -6.039 5.826 -7.354 1.00 0.00 N ATOM 0 H LYS A 463 -10.126 5.673 -1.189 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.672 3.315 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -7.687 6.191 -2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -6.623 4.799 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -7.983 3.938 -4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -8.850 5.461 -4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -6.740 6.705 -4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -5.814 5.220 -4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -7.215 4.265 -6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -8.041 5.806 -6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -6.301 5.602 -8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -5.937 6.856 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -5.137 5.363 -7.122 1.00 0.00 H new ATOM 350 N ARG A 464 -7.140 3.556 -0.028 1.00 0.00 N ATOM 351 CA ARG A 464 -6.444 3.387 1.246 1.00 0.00 C ATOM 352 C ARG A 464 -4.950 3.581 1.029 1.00 0.00 C ATOM 353 O ARG A 464 -4.502 3.546 -0.120 1.00 0.00 O ATOM 354 CB ARG A 464 -6.605 1.946 1.728 1.00 0.00 C ATOM 355 CG ARG A 464 -8.058 1.583 1.941 1.00 0.00 C ATOM 356 CD ARG A 464 -8.250 0.074 1.918 1.00 0.00 C ATOM 357 NE ARG A 464 -8.020 -0.599 0.630 1.00 0.00 N ATOM 358 CZ ARG A 464 -7.953 -1.931 0.489 1.00 0.00 C ATOM 359 NH1 ARG A 464 -8.062 -2.744 1.533 1.00 0.00 N ATOM 360 NH2 ARG A 464 -7.777 -2.437 -0.719 1.00 0.00 N ATOM 0 H ARG A 464 -6.734 2.966 -0.754 1.00 0.00 H new ATOM 0 HA ARG A 464 -6.853 4.102 1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -6.164 1.267 0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.056 1.811 2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.401 1.983 2.895 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -8.669 2.043 1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -7.580 -0.366 2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -9.268 -0.145 2.240 1.00 0.00 H new ATOM 0 HE ARG A 464 -7.905 -0.020 -0.202 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -8.200 -2.359 2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -8.008 -3.754 1.401 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -7.695 -1.817 -1.525 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -7.724 -3.448 -0.846 1.00 0.00 H new ATOM 374 N MET A 465 -4.190 3.687 2.119 1.00 0.00 N ATOM 375 CA MET A 465 -2.742 3.829 2.128 1.00 0.00 C ATOM 376 C MET A 465 -2.163 2.872 3.153 1.00 0.00 C ATOM 377 O MET A 465 -2.862 2.366 4.034 1.00 0.00 O ATOM 378 CB MET A 465 -2.270 5.238 2.498 1.00 0.00 C ATOM 379 CG MET A 465 -2.574 6.222 1.397 1.00 0.00 C ATOM 380 SD MET A 465 -4.191 7.029 1.510 1.00 0.00 S ATOM 381 CE MET A 465 -3.692 8.633 2.191 1.00 0.00 C ATOM 0 H MET A 465 -4.588 3.675 3.058 1.00 0.00 H new ATOM 0 HA MET A 465 -2.402 3.616 1.114 1.00 0.00 H new ATOM 0 HB2 MET A 465 -2.757 5.557 3.419 1.00 0.00 H new ATOM 0 HB3 MET A 465 -1.198 5.226 2.692 1.00 0.00 H new ATOM 0 HG2 MET A 465 -1.801 6.991 1.395 1.00 0.00 H new ATOM 0 HG3 MET A 465 -2.510 5.704 0.440 1.00 0.00 H new ATOM 0 HE1 MET A 465 -4.573 9.261 2.325 1.00 0.00 H new ATOM 0 HE2 MET A 465 -3.203 8.483 3.153 1.00 0.00 H new ATOM 0 HE3 MET A 465 -3.000 9.121 1.504 1.00 0.00 H new ATOM 391 N ARG A 466 -0.876 2.600 3.000 1.00 0.00 N ATOM 392 CA ARG A 466 -0.082 1.740 3.873 1.00 0.00 C ATOM 393 C ARG A 466 1.366 2.186 3.705 1.00 0.00 C ATOM 394 O ARG A 466 1.711 2.658 2.617 1.00 0.00 O ATOM 395 CB ARG A 466 -0.296 0.238 3.586 1.00 0.00 C ATOM 396 CG ARG A 466 0.080 -0.213 2.169 1.00 0.00 C ATOM 397 CD ARG A 466 -0.198 -1.717 2.016 1.00 0.00 C ATOM 398 NE ARG A 466 0.166 -2.225 0.685 1.00 0.00 N ATOM 399 CZ ARG A 466 0.292 -3.500 0.298 1.00 0.00 C ATOM 400 NH1 ARG A 466 -0.019 -4.522 1.094 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.699 -3.727 -0.940 1.00 0.00 N ATOM 0 H ARG A 466 -0.330 2.988 2.231 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.393 1.846 4.912 1.00 0.00 H new ATOM 0 HB2 ARG A 466 0.289 -0.340 4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.344 -0.004 3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.494 0.350 1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 466 1.133 -0.006 1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.360 -2.265 2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.256 -1.908 2.197 1.00 0.00 H new ATOM 0 HE ARG A 466 0.344 -1.520 -0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.368 -4.347 2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 466 0.091 -5.480 0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.904 -2.944 -1.561 1.00 0.00 H new ATOM 0 HH22 ARG A 466 0.808 -4.685 -1.274 1.00 0.00 H new ATOM 415 N GLN A 467 2.195 2.082 4.743 1.00 0.00 N ATOM 416 CA GLN A 467 3.600 2.475 4.678 1.00 0.00 C ATOM 417 C GLN A 467 4.406 1.507 5.528 1.00 0.00 C ATOM 418 O GLN A 467 4.042 1.195 6.667 1.00 0.00 O ATOM 419 CB GLN A 467 3.821 3.958 5.034 1.00 0.00 C ATOM 420 CG GLN A 467 3.454 4.390 6.467 1.00 0.00 C ATOM 421 CD GLN A 467 4.525 4.134 7.535 1.00 0.00 C ATOM 422 OE1 GLN A 467 5.585 3.552 7.308 1.00 0.00 O ATOM 423 NE2 GLN A 467 4.249 4.544 8.761 1.00 0.00 N ATOM 0 H GLN A 467 1.910 1.722 5.654 1.00 0.00 H new ATOM 0 HA GLN A 467 3.955 2.406 3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.872 4.195 4.866 1.00 0.00 H new ATOM 0 HB3 GLN A 467 3.242 4.565 4.337 1.00 0.00 H new ATOM 0 HG2 GLN A 467 3.224 5.455 6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 467 2.542 3.870 6.761 1.00 0.00 H new ATOM 0 HE21 GLN A 467 3.371 5.027 8.952 1.00 0.00 H new ATOM 0 HE22 GLN A 467 4.914 4.378 9.516 1.00 0.00 H new ATOM 432 N ARG A 468 5.393 0.870 4.902 1.00 0.00 N ATOM 433 CA ARG A 468 6.302 -0.095 5.503 1.00 0.00 C ATOM 434 C ARG A 468 7.648 0.592 5.661 1.00 0.00 C ATOM 435 O ARG A 468 7.935 1.584 4.991 1.00 0.00 O ATOM 436 CB ARG A 468 6.384 -1.411 4.695 1.00 0.00 C ATOM 437 CG ARG A 468 6.688 -1.192 3.207 1.00 0.00 C ATOM 438 CD ARG A 468 6.743 -2.473 2.370 1.00 0.00 C ATOM 439 NE ARG A 468 7.106 -2.149 0.977 1.00 0.00 N ATOM 440 CZ ARG A 468 7.314 -2.986 -0.046 1.00 0.00 C ATOM 441 NH1 ARG A 468 7.217 -4.308 0.087 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.619 -2.471 -1.230 1.00 0.00 N ATOM 0 H ARG A 468 5.588 1.023 3.912 1.00 0.00 H new ATOM 0 HA ARG A 468 5.932 -0.405 6.480 1.00 0.00 H new ATOM 0 HB2 ARG A 468 7.157 -2.047 5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.440 -1.947 4.791 1.00 0.00 H new ATOM 0 HG2 ARG A 468 5.928 -0.533 2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 468 7.643 -0.674 3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.472 -3.163 2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.776 -2.976 2.395 1.00 0.00 H new ATOM 0 HE ARG A 468 7.212 -1.157 0.766 1.00 0.00 H new ATOM 0 HH11 ARG A 468 6.977 -4.713 0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 468 7.383 -4.915 -0.716 1.00 0.00 H new ATOM 0 HH21 ARG A 468 7.690 -1.460 -1.343 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.783 -3.086 -2.027 1.00 0.00 H new ATOM 456 N MET A 469 8.486 0.063 6.541 1.00 0.00 N ATOM 457 CA MET A 469 9.808 0.619 6.794 1.00 0.00 C ATOM 458 C MET A 469 10.796 -0.156 5.941 1.00 0.00 C ATOM 459 O MET A 469 10.652 -1.376 5.793 1.00 0.00 O ATOM 460 CB MET A 469 10.153 0.489 8.283 1.00 0.00 C ATOM 461 CG MET A 469 9.166 1.265 9.161 1.00 0.00 C ATOM 462 SD MET A 469 9.330 0.928 10.929 1.00 0.00 S ATOM 463 CE MET A 469 10.891 1.775 11.256 1.00 0.00 C ATOM 0 H MET A 469 8.269 -0.763 7.099 1.00 0.00 H new ATOM 0 HA MET A 469 9.843 1.678 6.539 1.00 0.00 H new ATOM 0 HB2 MET A 469 10.145 -0.563 8.568 1.00 0.00 H new ATOM 0 HB3 MET A 469 11.164 0.859 8.456 1.00 0.00 H new ATOM 0 HG2 MET A 469 9.306 2.332 8.991 1.00 0.00 H new ATOM 0 HG3 MET A 469 8.150 1.023 8.848 1.00 0.00 H new ATOM 0 HE1 MET A 469 11.122 1.715 12.320 1.00 0.00 H new ATOM 0 HE2 MET A 469 11.689 1.301 10.684 1.00 0.00 H new ATOM 0 HE3 MET A 469 10.806 2.821 10.962 1.00 0.00 H new ATOM 473 N LEU A 470 11.759 0.528 5.334 1.00 0.00 N ATOM 474 CA LEU A 470 12.775 -0.120 4.517 1.00 0.00 C ATOM 475 C LEU A 470 13.642 -0.946 5.489 1.00 0.00 C ATOM 476 O LEU A 470 14.081 -0.427 6.514 1.00 0.00 O ATOM 477 CB LEU A 470 13.527 0.967 3.727 1.00 0.00 C ATOM 478 CG LEU A 470 14.465 0.473 2.612 1.00 0.00 C ATOM 479 CD1 LEU A 470 15.635 -0.327 3.158 1.00 0.00 C ATOM 480 CD2 LEU A 470 13.711 -0.297 1.525 1.00 0.00 C ATOM 0 H LEU A 470 11.856 1.542 5.394 1.00 0.00 H new ATOM 0 HA LEU A 470 12.383 -0.803 3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 470 12.792 1.638 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.113 1.558 4.431 1.00 0.00 H new ATOM 0 HG LEU A 470 14.882 1.364 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.269 -0.654 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.216 0.296 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 470 15.261 -1.198 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 470 14.413 -0.626 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 470 13.222 -1.165 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 470 12.960 0.352 1.074 1.00 0.00 H new ATOM 492 N LYS A 471 13.771 -2.254 5.243 1.00 0.00 N ATOM 493 CA LYS A 471 14.541 -3.187 6.066 1.00 0.00 C ATOM 494 C LYS A 471 16.037 -3.069 5.803 1.00 0.00 C ATOM 495 O LYS A 471 16.810 -2.928 6.753 1.00 0.00 O ATOM 496 CB LYS A 471 14.086 -4.635 5.797 1.00 0.00 C ATOM 497 CG LYS A 471 12.818 -5.062 6.548 1.00 0.00 C ATOM 498 CD LYS A 471 13.080 -5.811 7.859 1.00 0.00 C ATOM 499 CE LYS A 471 14.081 -5.013 8.683 1.00 0.00 C ATOM 500 NZ LYS A 471 14.360 -5.605 10.002 1.00 0.00 N ATOM 0 H LYS A 471 13.329 -2.704 4.442 1.00 0.00 H new ATOM 0 HA LYS A 471 14.357 -2.930 7.109 1.00 0.00 H new ATOM 0 HB2 LYS A 471 13.915 -4.754 4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 471 14.897 -5.312 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 471 12.222 -4.175 6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.220 -5.697 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 471 12.150 -5.939 8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 471 13.469 -6.808 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 471 15.014 -4.930 8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 471 13.701 -4.001 8.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 15.048 -5.013 10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 13.479 -5.660 10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 14.751 -6.561 9.878 1.00 0.00 H new ATOM 514 N ALA A 472 16.442 -3.253 4.550 1.00 0.00 N ATOM 515 CA ALA A 472 17.812 -3.192 4.068 1.00 0.00 C ATOM 516 C ALA A 472 17.768 -2.854 2.577 1.00 0.00 C ATOM 517 O ALA A 472 16.738 -3.040 1.928 1.00 0.00 O ATOM 518 CB ALA A 472 18.480 -4.558 4.280 1.00 0.00 C ATOM 0 H ALA A 472 15.781 -3.461 3.802 1.00 0.00 H new ATOM 0 HA ALA A 472 18.383 -2.435 4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.508 -4.520 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.476 -4.804 5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 472 17.931 -5.321 3.728 1.00 0.00 H new ATOM 524 N GLN A 473 18.874 -2.370 2.029 1.00 0.00 N ATOM 525 CA GLN A 473 19.014 -2.010 0.626 1.00 0.00 C ATOM 526 C GLN A 473 20.372 -2.543 0.176 1.00 0.00 C ATOM 527 O GLN A 473 21.373 -2.455 0.896 1.00 0.00 O ATOM 528 CB GLN A 473 18.837 -0.490 0.427 1.00 0.00 C ATOM 529 CG GLN A 473 20.066 0.309 0.872 1.00 0.00 C ATOM 530 CD GLN A 473 19.763 1.778 1.130 1.00 0.00 C ATOM 531 OE1 GLN A 473 19.724 2.217 2.275 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.528 2.577 0.104 1.00 0.00 N ATOM 0 H GLN A 473 19.726 -2.212 2.567 1.00 0.00 H new ATOM 0 HA GLN A 473 18.236 -2.455 0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.637 -0.286 -0.625 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.966 -0.153 0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 473 20.472 -0.137 1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.838 0.233 0.106 1.00 0.00 H new ATOM 0 HE21 GLN A 473 19.561 2.209 -0.847 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.314 3.561 0.263 1.00 0.00 H new ATOM 541 N LEU A 474 20.405 -3.173 -0.986 1.00 0.00 N ATOM 542 CA LEU A 474 21.605 -3.734 -1.573 1.00 0.00 C ATOM 543 C LEU A 474 22.404 -2.583 -2.193 1.00 0.00 C ATOM 544 O LEU A 474 23.629 -2.659 -2.256 1.00 0.00 O ATOM 545 CB LEU A 474 21.241 -4.849 -2.570 1.00 0.00 C ATOM 546 CG LEU A 474 20.735 -6.151 -1.893 1.00 0.00 C ATOM 547 CD1 LEU A 474 19.409 -6.032 -1.123 1.00 0.00 C ATOM 548 CD2 LEU A 474 20.534 -7.243 -2.941 1.00 0.00 C ATOM 0 H LEU A 474 19.574 -3.311 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 474 22.234 -4.214 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 474 20.472 -4.480 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 474 22.116 -5.082 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 474 21.514 -6.385 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 474 19.151 -6.999 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 474 19.516 -5.296 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 474 18.619 -5.717 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 474 20.179 -8.152 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 474 19.799 -6.912 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 474 21.481 -7.445 -3.442 1.00 0.00 H new ATOM 560 N ASP A 475 21.742 -1.481 -2.561 1.00 0.00 N ATOM 561 CA ASP A 475 22.324 -0.289 -3.159 1.00 0.00 C ATOM 562 C ASP A 475 22.194 0.870 -2.174 1.00 0.00 C ATOM 563 O ASP A 475 21.237 1.636 -2.187 1.00 0.00 O ATOM 564 CB ASP A 475 21.760 -0.020 -4.568 1.00 0.00 C ATOM 565 CG ASP A 475 20.258 0.174 -4.767 1.00 0.00 C ATOM 566 OD1 ASP A 475 19.439 -0.263 -3.931 1.00 0.00 O ATOM 567 OD2 ASP A 475 19.910 0.629 -5.885 1.00 0.00 O ATOM 0 H ASP A 475 20.732 -1.399 -2.441 1.00 0.00 H new ATOM 0 HA ASP A 475 23.390 -0.432 -3.337 1.00 0.00 H new ATOM 0 HB2 ASP A 475 22.255 0.873 -4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 475 22.066 -0.851 -5.203 1.00 0.00 H new ATOM 572 N LEU A 476 23.161 0.987 -1.254 1.00 0.00 N ATOM 573 CA LEU A 476 23.188 2.045 -0.235 1.00 0.00 C ATOM 574 C LEU A 476 23.083 3.432 -0.867 1.00 0.00 C ATOM 575 O LEU A 476 22.421 4.307 -0.308 1.00 0.00 O ATOM 576 CB LEU A 476 24.453 1.960 0.647 1.00 0.00 C ATOM 577 CG LEU A 476 24.345 1.094 1.920 1.00 0.00 C ATOM 578 CD1 LEU A 476 23.296 1.618 2.907 1.00 0.00 C ATOM 579 CD2 LEU A 476 24.053 -0.376 1.610 1.00 0.00 C ATOM 0 H LEU A 476 23.952 0.346 -1.196 1.00 0.00 H new ATOM 0 HA LEU A 476 22.318 1.887 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.269 1.571 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.731 2.971 0.944 1.00 0.00 H new ATOM 0 HG LEU A 476 25.327 1.164 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 476 23.264 0.970 3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 476 23.559 2.630 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 476 22.317 1.627 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 476 23.988 -0.938 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 476 23.108 -0.454 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 476 24.855 -0.784 0.995 1.00 0.00 H new ATOM 591 N SER A 477 23.707 3.636 -2.027 1.00 0.00 N ATOM 592 CA SER A 477 23.691 4.907 -2.734 1.00 0.00 C ATOM 593 C SER A 477 22.342 5.227 -3.389 1.00 0.00 C ATOM 594 O SER A 477 22.233 6.278 -4.022 1.00 0.00 O ATOM 595 CB SER A 477 24.804 4.895 -3.785 1.00 0.00 C ATOM 596 OG SER A 477 25.224 6.216 -4.078 1.00 0.00 O ATOM 0 H SER A 477 24.243 2.911 -2.504 1.00 0.00 H new ATOM 0 HA SER A 477 23.857 5.695 -1.999 1.00 0.00 H new ATOM 0 HB2 SER A 477 25.649 4.311 -3.421 1.00 0.00 H new ATOM 0 HB3 SER A 477 24.449 4.410 -4.694 1.00 0.00 H new ATOM 0 HG SER A 477 24.439 6.793 -4.185 1.00 0.00 H new ATOM 602 N VAL A 478 21.320 4.379 -3.268 1.00 0.00 N ATOM 603 CA VAL A 478 20.016 4.602 -3.881 1.00 0.00 C ATOM 604 C VAL A 478 18.910 4.203 -2.907 1.00 0.00 C ATOM 605 O VAL A 478 18.787 3.032 -2.555 1.00 0.00 O ATOM 606 CB VAL A 478 19.949 3.796 -5.184 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.549 3.712 -5.800 1.00 0.00 C ATOM 608 CG2 VAL A 478 20.910 4.375 -6.223 1.00 0.00 C ATOM 0 H VAL A 478 21.378 3.511 -2.736 1.00 0.00 H new ATOM 0 HA VAL A 478 19.874 5.657 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 478 20.238 2.782 -4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.590 3.125 -6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 478 17.869 3.235 -5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.191 4.716 -6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 478 20.849 3.790 -7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.639 5.410 -6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 478 21.929 4.338 -5.837 1.00 0.00 H new ATOM 618 N PRO A 479 18.103 5.151 -2.410 1.00 0.00 N ATOM 619 CA PRO A 479 17.027 4.798 -1.507 1.00 0.00 C ATOM 620 C PRO A 479 15.916 4.074 -2.279 1.00 0.00 C ATOM 621 O PRO A 479 15.820 4.167 -3.506 1.00 0.00 O ATOM 622 CB PRO A 479 16.521 6.113 -0.945 1.00 0.00 C ATOM 623 CG PRO A 479 16.841 7.123 -2.046 1.00 0.00 C ATOM 624 CD PRO A 479 18.104 6.574 -2.698 1.00 0.00 C ATOM 0 HA PRO A 479 17.357 4.128 -0.714 1.00 0.00 H new ATOM 0 HB2 PRO A 479 15.452 6.074 -0.735 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.020 6.368 -0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.024 7.203 -2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.005 8.120 -1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.102 6.757 -3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 479 18.995 7.055 -2.294 1.00 0.00 H new ATOM 632 N CYS A 480 15.018 3.425 -1.538 1.00 0.00 N ATOM 633 CA CYS A 480 13.900 2.671 -2.071 1.00 0.00 C ATOM 634 C CYS A 480 12.579 3.261 -1.567 1.00 0.00 C ATOM 635 O CYS A 480 12.037 2.764 -0.580 1.00 0.00 O ATOM 636 CB CYS A 480 14.059 1.203 -1.662 1.00 0.00 C ATOM 637 SG CYS A 480 15.511 0.334 -2.314 1.00 0.00 S ATOM 0 H CYS A 480 15.056 3.414 -0.519 1.00 0.00 H new ATOM 0 HA CYS A 480 13.886 2.731 -3.159 1.00 0.00 H new ATOM 0 HB2 CYS A 480 14.092 1.154 -0.574 1.00 0.00 H new ATOM 0 HB3 CYS A 480 13.167 0.662 -1.978 1.00 0.00 H new ATOM 642 N PRO A 481 12.035 4.282 -2.250 1.00 0.00 N ATOM 643 CA PRO A 481 10.793 4.949 -1.869 1.00 0.00 C ATOM 644 C PRO A 481 9.505 4.117 -1.977 1.00 0.00 C ATOM 645 O PRO A 481 8.446 4.649 -1.628 1.00 0.00 O ATOM 646 CB PRO A 481 10.741 6.212 -2.733 1.00 0.00 C ATOM 647 CG PRO A 481 11.530 5.820 -3.978 1.00 0.00 C ATOM 648 CD PRO A 481 12.620 4.926 -3.419 1.00 0.00 C ATOM 0 HA PRO A 481 10.819 5.156 -0.799 1.00 0.00 H new ATOM 0 HB2 PRO A 481 9.716 6.490 -2.978 1.00 0.00 H new ATOM 0 HB3 PRO A 481 11.190 7.065 -2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 481 10.908 5.294 -4.702 1.00 0.00 H new ATOM 0 HG3 PRO A 481 11.943 6.692 -4.486 1.00 0.00 H new ATOM 0 HD2 PRO A 481 12.938 4.188 -4.155 1.00 0.00 H new ATOM 0 HD3 PRO A 481 13.502 5.506 -3.147 1.00 0.00 H new ATOM 656 N ASP A 482 9.531 2.848 -2.418 1.00 0.00 N ATOM 657 CA ASP A 482 8.337 1.975 -2.531 1.00 0.00 C ATOM 658 C ASP A 482 7.879 1.481 -1.142 1.00 0.00 C ATOM 659 O ASP A 482 7.445 0.340 -0.935 1.00 0.00 O ATOM 660 CB ASP A 482 8.553 0.796 -3.500 1.00 0.00 C ATOM 661 CG ASP A 482 8.461 1.170 -4.978 1.00 0.00 C ATOM 662 OD1 ASP A 482 8.756 2.330 -5.343 1.00 0.00 O ATOM 663 OD2 ASP A 482 8.127 0.289 -5.805 1.00 0.00 O ATOM 0 H ASP A 482 10.392 2.387 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 482 7.541 2.585 -2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.533 0.359 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 482 7.813 0.025 -3.286 1.00 0.00 H new ATOM 668 N THR A 483 8.069 2.321 -0.134 1.00 0.00 N ATOM 669 CA THR A 483 7.706 2.122 1.245 1.00 0.00 C ATOM 670 C THR A 483 6.225 2.415 1.407 1.00 0.00 C ATOM 671 O THR A 483 5.639 1.865 2.325 1.00 0.00 O ATOM 672 CB THR A 483 8.582 3.032 2.118 1.00 0.00 C ATOM 673 OG1 THR A 483 8.793 4.279 1.476 1.00 0.00 O ATOM 674 CG2 THR A 483 9.928 2.341 2.363 1.00 0.00 C ATOM 0 H THR A 483 8.516 3.226 -0.280 1.00 0.00 H new ATOM 0 HA THR A 483 7.876 1.092 1.560 1.00 0.00 H new ATOM 0 HB THR A 483 8.079 3.213 3.068 1.00 0.00 H new ATOM 0 HG1 THR A 483 9.352 4.849 2.045 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.558 2.980 2.982 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.762 1.392 2.872 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.423 2.159 1.409 1.00 0.00 H new ATOM 682 N GLN A 484 5.613 3.221 0.538 1.00 0.00 N ATOM 683 CA GLN A 484 4.203 3.572 0.568 1.00 0.00 C ATOM 684 C GLN A 484 3.506 2.912 -0.620 1.00 0.00 C ATOM 685 O GLN A 484 4.139 2.635 -1.641 1.00 0.00 O ATOM 686 CB GLN A 484 4.021 5.098 0.590 1.00 0.00 C ATOM 687 CG GLN A 484 4.807 5.858 -0.493 1.00 0.00 C ATOM 688 CD GLN A 484 4.650 7.362 -0.298 1.00 0.00 C ATOM 689 OE1 GLN A 484 3.680 7.973 -0.750 1.00 0.00 O ATOM 690 NE2 GLN A 484 5.576 7.990 0.405 1.00 0.00 N ATOM 0 H GLN A 484 6.111 3.662 -0.235 1.00 0.00 H new ATOM 0 HA GLN A 484 3.742 3.200 1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 484 2.961 5.325 0.476 1.00 0.00 H new ATOM 0 HB3 GLN A 484 4.324 5.472 1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 484 5.861 5.586 -0.446 1.00 0.00 H new ATOM 0 HG3 GLN A 484 4.448 5.572 -1.482 1.00 0.00 H new ATOM 0 HE21 GLN A 484 6.374 7.473 0.774 1.00 0.00 H new ATOM 0 HE22 GLN A 484 5.493 8.992 0.579 1.00 0.00 H new ATOM 699 N ASP A 485 2.210 2.645 -0.485 1.00 0.00 N ATOM 700 CA ASP A 485 1.374 2.027 -1.510 1.00 0.00 C ATOM 701 C ASP A 485 -0.061 2.509 -1.318 1.00 0.00 C ATOM 702 O ASP A 485 -0.403 2.989 -0.231 1.00 0.00 O ATOM 703 CB ASP A 485 1.468 0.506 -1.391 1.00 0.00 C ATOM 704 CG ASP A 485 0.701 -0.237 -2.477 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.613 0.261 -3.622 1.00 0.00 O ATOM 706 OD2 ASP A 485 0.188 -1.333 -2.167 1.00 0.00 O ATOM 0 H ASP A 485 1.696 2.860 0.369 1.00 0.00 H new ATOM 0 HA ASP A 485 1.711 2.309 -2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.516 0.211 -1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 485 1.088 0.202 -0.416 1.00 0.00 H new ATOM 711 N PHE A 486 -0.896 2.439 -2.359 1.00 0.00 N ATOM 712 CA PHE A 486 -2.283 2.876 -2.338 1.00 0.00 C ATOM 713 C PHE A 486 -3.078 1.824 -3.092 1.00 0.00 C ATOM 714 O PHE A 486 -2.569 1.263 -4.058 1.00 0.00 O ATOM 715 CB PHE A 486 -2.470 4.241 -3.028 1.00 0.00 C ATOM 716 CG PHE A 486 -1.977 5.483 -2.294 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.613 5.663 -1.978 1.00 0.00 C ATOM 718 CD2 PHE A 486 -2.892 6.507 -1.974 1.00 0.00 C ATOM 719 CE1 PHE A 486 -0.181 6.816 -1.299 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.446 7.692 -1.360 1.00 0.00 C ATOM 721 CZ PHE A 486 -1.092 7.845 -1.016 1.00 0.00 C ATOM 0 H PHE A 486 -0.611 2.064 -3.264 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.615 2.991 -1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -1.965 4.200 -3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.533 4.371 -3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 486 0.106 4.908 -2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -3.940 6.381 -2.201 1.00 0.00 H new ATOM 0 HE1 PHE A 486 0.851 6.910 -0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -3.147 8.487 -1.152 1.00 0.00 H new ATOM 0 HZ PHE A 486 -0.754 8.751 -0.536 1.00 0.00 H new ATOM 731 N GLN A 487 -4.309 1.532 -2.684 1.00 0.00 N ATOM 732 CA GLN A 487 -5.176 0.535 -3.323 1.00 0.00 C ATOM 733 C GLN A 487 -6.616 1.011 -3.160 1.00 0.00 C ATOM 734 O GLN A 487 -6.890 1.766 -2.222 1.00 0.00 O ATOM 735 CB GLN A 487 -4.958 -0.821 -2.627 1.00 0.00 C ATOM 736 CG GLN A 487 -4.929 -2.158 -3.381 1.00 0.00 C ATOM 737 CD GLN A 487 -4.084 -2.180 -4.648 1.00 0.00 C ATOM 738 OE1 GLN A 487 -4.350 -2.961 -5.551 1.00 0.00 O ATOM 739 NE2 GLN A 487 -3.044 -1.361 -4.735 1.00 0.00 N ATOM 0 H GLN A 487 -4.745 1.989 -1.883 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.950 0.417 -4.383 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.009 -0.746 -2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -5.740 -0.909 -1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -4.558 -2.928 -2.705 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -5.952 -2.429 -3.643 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -2.837 -0.716 -3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -2.451 -1.376 -5.565 1.00 0.00 H new ATOM 748 N PRO A 488 -7.540 0.590 -4.028 1.00 0.00 N ATOM 749 CA PRO A 488 -8.929 1.001 -3.953 1.00 0.00 C ATOM 750 C PRO A 488 -9.622 0.342 -2.762 1.00 0.00 C ATOM 751 O PRO A 488 -9.147 -0.667 -2.249 1.00 0.00 O ATOM 752 CB PRO A 488 -9.542 0.586 -5.295 1.00 0.00 C ATOM 753 CG PRO A 488 -8.707 -0.621 -5.714 1.00 0.00 C ATOM 754 CD PRO A 488 -7.323 -0.305 -5.147 1.00 0.00 C ATOM 0 HA PRO A 488 -9.042 2.073 -3.792 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.596 0.328 -5.191 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.481 1.390 -6.029 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -9.107 -1.549 -5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.681 -0.736 -6.798 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.817 -1.215 -4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.690 0.162 -5.902 1.00 0.00 H new ATOM 762 N CYS A 489 -10.726 0.923 -2.305 1.00 0.00 N ATOM 763 CA CYS A 489 -11.553 0.438 -1.204 1.00 0.00 C ATOM 764 C CYS A 489 -13.023 0.779 -1.465 1.00 0.00 C ATOM 765 O CYS A 489 -13.347 1.545 -2.380 1.00 0.00 O ATOM 766 CB CYS A 489 -11.087 1.083 0.106 1.00 0.00 C ATOM 767 SG CYS A 489 -11.884 0.498 1.637 1.00 0.00 S ATOM 0 H CYS A 489 -11.086 1.786 -2.711 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.454 -0.645 -1.126 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -10.013 0.924 0.200 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -11.245 2.159 0.030 1.00 0.00 H new ATOM 772 N MET A 490 -13.896 0.176 -0.662 1.00 0.00 N ATOM 773 CA MET A 490 -15.340 0.330 -0.640 1.00 0.00 C ATOM 774 C MET A 490 -15.681 0.577 0.831 1.00 0.00 C ATOM 775 O MET A 490 -15.000 0.042 1.713 1.00 0.00 O ATOM 776 CB MET A 490 -16.060 -0.915 -1.177 1.00 0.00 C ATOM 777 CG MET A 490 -15.493 -1.411 -2.514 1.00 0.00 C ATOM 778 SD MET A 490 -16.671 -2.295 -3.579 1.00 0.00 S ATOM 779 CE MET A 490 -17.094 -3.692 -2.522 1.00 0.00 C ATOM 0 H MET A 490 -13.581 -0.487 0.047 1.00 0.00 H new ATOM 0 HA MET A 490 -15.667 1.146 -1.284 1.00 0.00 H new ATOM 0 HB2 MET A 490 -15.988 -1.715 -0.440 1.00 0.00 H new ATOM 0 HB3 MET A 490 -17.119 -0.690 -1.300 1.00 0.00 H new ATOM 0 HG2 MET A 490 -15.103 -0.555 -3.064 1.00 0.00 H new ATOM 0 HG3 MET A 490 -14.649 -2.070 -2.310 1.00 0.00 H new ATOM 0 HE1 MET A 490 -17.936 -4.233 -2.954 1.00 0.00 H new ATOM 0 HE2 MET A 490 -16.237 -4.360 -2.442 1.00 0.00 H new ATOM 0 HE3 MET A 490 -17.365 -3.329 -1.531 1.00 0.00 H new ATOM 789 N GLY A 491 -16.718 1.369 1.092 1.00 0.00 N ATOM 790 CA GLY A 491 -17.152 1.717 2.440 1.00 0.00 C ATOM 791 C GLY A 491 -17.522 0.525 3.328 1.00 0.00 C ATOM 792 O GLY A 491 -17.574 -0.623 2.867 1.00 0.00 O ATOM 0 H GLY A 491 -17.289 1.793 0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -16.357 2.281 2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -18.015 2.379 2.368 1.00 0.00 H new ATOM 796 N PRO A 492 -17.796 0.790 4.615 1.00 0.00 N ATOM 797 CA PRO A 492 -18.177 -0.243 5.556 1.00 0.00 C ATOM 798 C PRO A 492 -19.555 -0.771 5.158 1.00 0.00 C ATOM 799 O PRO A 492 -20.443 0.012 4.792 1.00 0.00 O ATOM 800 CB PRO A 492 -18.185 0.433 6.923 1.00 0.00 C ATOM 801 CG PRO A 492 -18.477 1.898 6.604 1.00 0.00 C ATOM 802 CD PRO A 492 -17.774 2.094 5.262 1.00 0.00 C ATOM 0 HA PRO A 492 -17.499 -1.097 5.570 1.00 0.00 H new ATOM 0 HB2 PRO A 492 -18.947 0.006 7.576 1.00 0.00 H new ATOM 0 HB3 PRO A 492 -17.228 0.318 7.432 1.00 0.00 H new ATOM 0 HG2 PRO A 492 -19.547 2.092 6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 492 -18.082 2.566 7.370 1.00 0.00 H new ATOM 0 HD2 PRO A 492 -18.287 2.841 4.656 1.00 0.00 H new ATOM 0 HD3 PRO A 492 -16.752 2.445 5.402 1.00 0.00 H new ATOM 810 N GLY A 493 -19.734 -2.089 5.228 1.00 0.00 N ATOM 811 CA GLY A 493 -20.993 -2.727 4.860 1.00 0.00 C ATOM 812 C GLY A 493 -21.220 -2.717 3.346 1.00 0.00 C ATOM 813 O GLY A 493 -22.345 -2.931 2.902 1.00 0.00 O ATOM 0 H GLY A 493 -19.014 -2.740 5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 493 -20.997 -3.756 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 493 -21.818 -2.213 5.354 1.00 0.00 H new ATOM 817 N CYS A 494 -20.175 -2.481 2.543 1.00 0.00 N ATOM 818 CA CYS A 494 -20.260 -2.448 1.085 1.00 0.00 C ATOM 819 C CYS A 494 -19.454 -3.557 0.415 1.00 0.00 C ATOM 820 O CYS A 494 -19.685 -3.840 -0.760 1.00 0.00 O ATOM 821 CB CYS A 494 -19.715 -1.117 0.582 1.00 0.00 C ATOM 822 SG CYS A 494 -20.373 0.343 1.417 1.00 0.00 S ATOM 0 H CYS A 494 -19.235 -2.306 2.897 1.00 0.00 H new ATOM 0 HA CYS A 494 -21.311 -2.586 0.830 1.00 0.00 H new ATOM 0 HB2 CYS A 494 -18.630 -1.121 0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 494 -19.928 -1.034 -0.484 1.00 0.00 H new ATOM 827 N SER A 495 -18.491 -4.134 1.129 1.00 0.00 N ATOM 828 CA SER A 495 -17.615 -5.199 0.669 1.00 0.00 C ATOM 829 C SER A 495 -17.896 -6.417 1.540 1.00 0.00 C ATOM 830 O SER A 495 -17.255 -6.609 2.574 1.00 0.00 O ATOM 831 CB SER A 495 -16.147 -4.733 0.721 1.00 0.00 C ATOM 832 OG SER A 495 -15.341 -5.497 -0.160 1.00 0.00 O ATOM 0 H SER A 495 -18.294 -3.855 2.090 1.00 0.00 H new ATOM 0 HA SER A 495 -17.802 -5.465 -0.371 1.00 0.00 H new ATOM 0 HB2 SER A 495 -16.087 -3.678 0.453 1.00 0.00 H new ATOM 0 HB3 SER A 495 -15.768 -4.825 1.739 1.00 0.00 H new ATOM 0 HG SER A 495 -14.517 -5.005 -0.359 1.00 0.00 H new ATOM 838 N ASP A 496 -18.884 -7.220 1.148 1.00 0.00 N ATOM 839 CA ASP A 496 -19.250 -8.427 1.894 1.00 0.00 C ATOM 840 C ASP A 496 -18.299 -9.582 1.607 1.00 0.00 C ATOM 841 O ASP A 496 -18.279 -10.583 2.322 1.00 0.00 O ATOM 842 CB ASP A 496 -20.690 -8.844 1.576 1.00 0.00 C ATOM 843 CG ASP A 496 -21.692 -8.027 2.382 1.00 0.00 C ATOM 844 OD1 ASP A 496 -21.545 -7.956 3.622 1.00 0.00 O ATOM 845 OD2 ASP A 496 -22.639 -7.478 1.781 1.00 0.00 O ATOM 0 H ASP A 496 -19.449 -7.057 0.314 1.00 0.00 H new ATOM 0 HA ASP A 496 -19.173 -8.185 2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 496 -20.883 -8.712 0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 496 -20.821 -9.904 1.795 1.00 0.00 H new ATOM 850 N GLU A 497 -17.520 -9.463 0.545 1.00 0.00 N ATOM 851 CA GLU A 497 -16.544 -10.442 0.102 1.00 0.00 C ATOM 852 C GLU A 497 -15.207 -10.166 0.802 1.00 0.00 C ATOM 853 O GLU A 497 -15.105 -9.424 1.780 1.00 0.00 O ATOM 854 CB GLU A 497 -16.324 -10.307 -1.410 1.00 0.00 C ATOM 855 CG GLU A 497 -17.563 -10.226 -2.308 1.00 0.00 C ATOM 856 CD GLU A 497 -17.164 -10.048 -3.776 1.00 0.00 C ATOM 857 OE1 GLU A 497 -15.962 -9.842 -4.077 1.00 0.00 O ATOM 858 OE2 GLU A 497 -18.063 -10.044 -4.647 1.00 0.00 O ATOM 0 H GLU A 497 -17.553 -8.642 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 497 -16.907 -11.442 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 497 -15.726 -9.412 -1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 497 -15.727 -11.158 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -18.158 -11.132 -2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -18.191 -9.392 -1.994 1.00 0.00 H new ATOM 865 N ASP A 498 -14.146 -10.796 0.315 1.00 0.00 N ATOM 866 CA ASP A 498 -12.760 -10.673 0.765 1.00 0.00 C ATOM 867 C ASP A 498 -12.120 -9.383 0.208 1.00 0.00 C ATOM 868 O ASP A 498 -10.900 -9.211 0.292 1.00 0.00 O ATOM 869 CB ASP A 498 -11.968 -11.901 0.275 1.00 0.00 C ATOM 870 CG ASP A 498 -11.767 -11.955 -1.249 1.00 0.00 C ATOM 871 OD1 ASP A 498 -12.541 -11.321 -2.007 1.00 0.00 O ATOM 872 OD2 ASP A 498 -10.919 -12.751 -1.712 1.00 0.00 O ATOM 0 H ASP A 498 -14.234 -11.454 -0.460 1.00 0.00 H new ATOM 0 HA ASP A 498 -12.739 -10.623 1.854 1.00 0.00 H new ATOM 0 HB2 ASP A 498 -10.992 -11.906 0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 498 -12.487 -12.805 0.594 1.00 0.00 H new ATOM 877 N GLY A 499 -12.918 -8.504 -0.402 1.00 0.00 N ATOM 878 CA GLY A 499 -12.516 -7.251 -1.010 1.00 0.00 C ATOM 879 C GLY A 499 -12.099 -6.221 0.013 1.00 0.00 C ATOM 880 O GLY A 499 -10.911 -5.835 0.023 1.00 0.00 O ATOM 0 H GLY A 499 -13.922 -8.666 -0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -11.689 -7.432 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -13.342 -6.857 -1.603 1.00 0.00 H new TER 884 GLY A 499