USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=14 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 Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 445 TYR OH : rot 30:sc= -0.203 USER MOD Single : A 446 SER OG : rot 180:sc= 0.0544 USER MOD Single : A 447 ASN : amide:sc= 0.439 X(o=0.44,f=-0.0048) USER MOD Single : A 449 SER OG : rot 89:sc= 0.682 USER MOD Single : A 452 SER OG : rot -74:sc= 0.375 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 SER OG : rot -140:sc= -0.414 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot -175:sc= 1.11 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 X(o=0,f=0) USER MOD Single : A 469 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 GLN : amide:sc= 0.142 K(o=0.14,f=-0.46) USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 484 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 487 GLN : amide:sc= 0.719 K(o=0.72,f=-0.041) USER MOD Single : A 490 MET CE :methyl 175:sc= -0.177 (180deg=-0.24) USER MOD Single : A 495 SER OG : rot 180:sc= 0.0429 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 439 12.648 -0.931 -9.272 1.00 0.00 N ATOM 2 CA GLY A 439 12.343 -2.354 -9.100 1.00 0.00 C ATOM 3 C GLY A 439 12.743 -2.787 -7.709 1.00 0.00 C ATOM 4 O GLY A 439 13.832 -2.455 -7.249 1.00 0.00 O ATOM 0 HA2 GLY A 439 11.279 -2.531 -9.256 1.00 0.00 H new ATOM 0 HA3 GLY A 439 12.877 -2.945 -9.845 1.00 0.00 H new ATOM 8 N SER A 440 11.902 -3.564 -7.026 1.00 0.00 N ATOM 9 CA SER A 440 12.182 -4.037 -5.674 1.00 0.00 C ATOM 10 C SER A 440 13.358 -5.014 -5.577 1.00 0.00 C ATOM 11 O SER A 440 13.701 -5.468 -4.491 1.00 0.00 O ATOM 12 CB SER A 440 10.905 -4.633 -5.085 1.00 0.00 C ATOM 13 OG SER A 440 10.398 -5.660 -5.914 1.00 0.00 O ATOM 0 H SER A 440 11.007 -3.882 -7.397 1.00 0.00 H new ATOM 0 HA SER A 440 12.501 -3.174 -5.089 1.00 0.00 H new ATOM 0 HB2 SER A 440 11.109 -5.030 -4.091 1.00 0.00 H new ATOM 0 HB3 SER A 440 10.155 -3.851 -4.968 1.00 0.00 H new ATOM 0 HG SER A 440 9.581 -6.028 -5.516 1.00 0.00 H new ATOM 19 N GLU A 441 13.975 -5.367 -6.695 1.00 0.00 N ATOM 20 CA GLU A 441 15.113 -6.273 -6.759 1.00 0.00 C ATOM 21 C GLU A 441 16.311 -5.764 -5.952 1.00 0.00 C ATOM 22 O GLU A 441 17.098 -6.564 -5.444 1.00 0.00 O ATOM 23 CB GLU A 441 15.500 -6.466 -8.224 1.00 0.00 C ATOM 24 CG GLU A 441 16.014 -5.182 -8.897 1.00 0.00 C ATOM 25 CD GLU A 441 15.495 -5.032 -10.322 1.00 0.00 C ATOM 26 OE1 GLU A 441 14.285 -4.738 -10.479 1.00 0.00 O ATOM 27 OE2 GLU A 441 16.300 -5.160 -11.270 1.00 0.00 O ATOM 0 H GLU A 441 13.689 -5.020 -7.611 1.00 0.00 H new ATOM 0 HA GLU A 441 14.821 -7.224 -6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 441 16.270 -7.235 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 441 14.634 -6.834 -8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 441 15.708 -4.317 -8.308 1.00 0.00 H new ATOM 0 HG3 GLU A 441 17.104 -5.191 -8.908 1.00 0.00 H new ATOM 34 N THR A 442 16.425 -4.449 -5.793 1.00 0.00 N ATOM 35 CA THR A 442 17.482 -3.769 -5.071 1.00 0.00 C ATOM 36 C THR A 442 16.962 -3.225 -3.733 1.00 0.00 C ATOM 37 O THR A 442 17.622 -2.377 -3.120 1.00 0.00 O ATOM 38 CB THR A 442 18.084 -2.672 -5.983 1.00 0.00 C ATOM 39 OG1 THR A 442 17.101 -2.101 -6.829 1.00 0.00 O ATOM 40 CG2 THR A 442 19.156 -3.258 -6.906 1.00 0.00 C ATOM 0 H THR A 442 15.744 -3.800 -6.187 1.00 0.00 H new ATOM 0 HA THR A 442 18.280 -4.467 -4.818 1.00 0.00 H new ATOM 0 HB THR A 442 18.502 -1.919 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 442 17.513 -1.411 -7.390 1.00 0.00 H new ATOM 0 HG21 THR A 442 19.564 -2.468 -7.537 1.00 0.00 H new ATOM 0 HG22 THR A 442 19.955 -3.692 -6.306 1.00 0.00 H new ATOM 0 HG23 THR A 442 18.713 -4.031 -7.534 1.00 0.00 H new ATOM 48 N CYS A 443 15.822 -3.728 -3.234 1.00 0.00 N ATOM 49 CA CYS A 443 15.219 -3.234 -1.994 1.00 0.00 C ATOM 50 C CYS A 443 14.501 -4.317 -1.150 1.00 0.00 C ATOM 51 O CYS A 443 13.767 -5.147 -1.686 1.00 0.00 O ATOM 52 CB CYS A 443 14.236 -2.135 -2.457 1.00 0.00 C ATOM 53 SG CYS A 443 14.919 -0.680 -3.294 1.00 0.00 S ATOM 0 H CYS A 443 15.298 -4.483 -3.677 1.00 0.00 H new ATOM 0 HA CYS A 443 15.992 -2.869 -1.318 1.00 0.00 H new ATOM 0 HB2 CYS A 443 13.511 -2.596 -3.128 1.00 0.00 H new ATOM 0 HB3 CYS A 443 13.686 -1.789 -1.582 1.00 0.00 H new ATOM 58 N ILE A 444 14.728 -4.362 0.174 1.00 0.00 N ATOM 59 CA ILE A 444 14.091 -5.306 1.102 1.00 0.00 C ATOM 60 C ILE A 444 13.248 -4.475 2.069 1.00 0.00 C ATOM 61 O ILE A 444 13.789 -3.705 2.862 1.00 0.00 O ATOM 62 CB ILE A 444 15.091 -6.164 1.915 1.00 0.00 C ATOM 63 CG1 ILE A 444 16.175 -6.853 1.066 1.00 0.00 C ATOM 64 CG2 ILE A 444 14.330 -7.198 2.780 1.00 0.00 C ATOM 65 CD1 ILE A 444 15.662 -7.867 0.037 1.00 0.00 C ATOM 0 H ILE A 444 15.376 -3.726 0.638 1.00 0.00 H new ATOM 0 HA ILE A 444 13.502 -6.011 0.515 1.00 0.00 H new ATOM 0 HB ILE A 444 15.629 -5.467 2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 444 16.743 -6.085 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 444 16.868 -7.361 1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 444 15.045 -7.795 3.347 1.00 0.00 H new ATOM 0 HG22 ILE A 444 13.665 -6.677 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 444 13.743 -7.851 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 444 16.506 -8.293 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 444 15.121 -8.663 0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 444 14.994 -7.367 -0.665 1.00 0.00 H new ATOM 77 N TYR A 445 11.926 -4.594 2.026 1.00 0.00 N ATOM 78 CA TYR A 445 11.027 -3.868 2.918 1.00 0.00 C ATOM 79 C TYR A 445 10.438 -4.897 3.881 1.00 0.00 C ATOM 80 O TYR A 445 10.404 -6.091 3.571 1.00 0.00 O ATOM 81 CB TYR A 445 9.828 -3.272 2.165 1.00 0.00 C ATOM 82 CG TYR A 445 10.034 -2.724 0.771 1.00 0.00 C ATOM 83 CD1 TYR A 445 10.082 -3.622 -0.312 1.00 0.00 C ATOM 84 CD2 TYR A 445 10.161 -1.338 0.538 1.00 0.00 C ATOM 85 CE1 TYR A 445 10.316 -3.155 -1.612 1.00 0.00 C ATOM 86 CE2 TYR A 445 10.416 -0.868 -0.766 1.00 0.00 C ATOM 87 CZ TYR A 445 10.503 -1.779 -1.849 1.00 0.00 C ATOM 88 OH TYR A 445 10.824 -1.345 -3.094 1.00 0.00 O ATOM 0 H TYR A 445 11.443 -5.202 1.365 1.00 0.00 H new ATOM 0 HA TYR A 445 11.589 -3.068 3.399 1.00 0.00 H new ATOM 0 HB2 TYR A 445 9.061 -4.044 2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 445 9.422 -2.467 2.778 1.00 0.00 H new ATOM 0 HD1 TYR A 445 9.937 -4.678 -0.140 1.00 0.00 H new ATOM 0 HD2 TYR A 445 10.063 -0.640 1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 445 10.353 -3.853 -2.436 1.00 0.00 H new ATOM 0 HE2 TYR A 445 10.546 0.190 -0.941 1.00 0.00 H new ATOM 0 HH TYR A 445 10.440 -1.951 -3.761 1.00 0.00 H new ATOM 98 N SER A 446 9.922 -4.449 5.019 1.00 0.00 N ATOM 99 CA SER A 446 9.282 -5.341 5.984 1.00 0.00 C ATOM 100 C SER A 446 7.846 -5.620 5.493 1.00 0.00 C ATOM 101 O SER A 446 7.486 -5.275 4.357 1.00 0.00 O ATOM 102 CB SER A 446 9.301 -4.699 7.378 1.00 0.00 C ATOM 103 OG SER A 446 8.965 -5.664 8.355 1.00 0.00 O ATOM 0 H SER A 446 9.934 -3.468 5.299 1.00 0.00 H new ATOM 0 HA SER A 446 9.818 -6.287 6.062 1.00 0.00 H new ATOM 0 HB2 SER A 446 10.289 -4.287 7.585 1.00 0.00 H new ATOM 0 HB3 SER A 446 8.595 -3.869 7.416 1.00 0.00 H new ATOM 0 HG SER A 446 8.980 -5.250 9.243 1.00 0.00 H new ATOM 109 N ASN A 447 7.034 -6.314 6.298 1.00 0.00 N ATOM 110 CA ASN A 447 5.651 -6.599 5.930 1.00 0.00 C ATOM 111 C ASN A 447 4.910 -5.270 5.905 1.00 0.00 C ATOM 112 O ASN A 447 5.092 -4.451 6.813 1.00 0.00 O ATOM 113 CB ASN A 447 4.958 -7.558 6.917 1.00 0.00 C ATOM 114 CG ASN A 447 3.591 -8.026 6.402 1.00 0.00 C ATOM 115 OD1 ASN A 447 3.450 -9.174 5.991 1.00 0.00 O ATOM 116 ND2 ASN A 447 2.560 -7.196 6.376 1.00 0.00 N ATOM 0 H ASN A 447 7.314 -6.686 7.206 1.00 0.00 H new ATOM 0 HA ASN A 447 5.639 -7.094 4.959 1.00 0.00 H new ATOM 0 HB2 ASN A 447 5.596 -8.425 7.089 1.00 0.00 H new ATOM 0 HB3 ASN A 447 4.832 -7.060 7.878 1.00 0.00 H new ATOM 0 HD21 ASN A 447 1.659 -7.513 6.017 1.00 0.00 H new ATOM 0 HD22 ASN A 447 2.666 -6.240 6.715 1.00 0.00 H new ATOM 123 N TRP A 448 4.076 -5.060 4.891 1.00 0.00 N ATOM 124 CA TRP A 448 3.284 -3.855 4.745 1.00 0.00 C ATOM 125 C TRP A 448 2.493 -3.541 6.017 1.00 0.00 C ATOM 126 O TRP A 448 2.081 -4.458 6.735 1.00 0.00 O ATOM 127 CB TRP A 448 2.288 -4.071 3.600 1.00 0.00 C ATOM 128 CG TRP A 448 2.791 -3.808 2.220 1.00 0.00 C ATOM 129 CD1 TRP A 448 2.942 -4.716 1.231 1.00 0.00 C ATOM 130 CD2 TRP A 448 3.186 -2.532 1.651 1.00 0.00 C ATOM 131 NE1 TRP A 448 3.409 -4.085 0.093 1.00 0.00 N ATOM 132 CE2 TRP A 448 3.583 -2.734 0.298 1.00 0.00 C ATOM 133 CE3 TRP A 448 3.279 -1.223 2.164 1.00 0.00 C ATOM 134 CZ2 TRP A 448 4.062 -1.685 -0.497 1.00 0.00 C ATOM 135 CZ3 TRP A 448 3.783 -0.174 1.386 1.00 0.00 C ATOM 136 CH2 TRP A 448 4.202 -0.410 0.072 1.00 0.00 C ATOM 0 H TRP A 448 3.933 -5.735 4.140 1.00 0.00 H new ATOM 0 HA TRP A 448 3.958 -3.022 4.544 1.00 0.00 H new ATOM 0 HB2 TRP A 448 1.936 -5.102 3.644 1.00 0.00 H new ATOM 0 HB3 TRP A 448 1.423 -3.431 3.775 1.00 0.00 H new ATOM 0 HD1 TRP A 448 2.731 -5.772 1.316 1.00 0.00 H new ATOM 0 HE1 TRP A 448 3.601 -4.561 -0.789 1.00 0.00 H new ATOM 0 HE3 TRP A 448 2.956 -1.025 3.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 4.320 -1.855 -1.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 3.849 0.821 1.801 1.00 0.00 H new ATOM 0 HH2 TRP A 448 4.635 0.393 -0.507 1.00 0.00 H new ATOM 147 N SER A 449 2.333 -2.260 6.353 1.00 0.00 N ATOM 148 CA SER A 449 1.525 -1.925 7.514 1.00 0.00 C ATOM 149 C SER A 449 0.070 -2.174 7.100 1.00 0.00 C ATOM 150 O SER A 449 -0.250 -2.065 5.912 1.00 0.00 O ATOM 151 CB SER A 449 1.630 -0.447 7.876 1.00 0.00 C ATOM 152 OG SER A 449 2.888 -0.130 8.430 1.00 0.00 O ATOM 0 H SER A 449 2.738 -1.467 5.855 1.00 0.00 H new ATOM 0 HA SER A 449 1.858 -2.516 8.367 1.00 0.00 H new ATOM 0 HB2 SER A 449 1.463 0.158 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 449 0.845 -0.191 8.587 1.00 0.00 H new ATOM 0 HG SER A 449 3.511 0.107 7.712 1.00 0.00 H new ATOM 158 N PRO A 450 -0.826 -2.474 8.046 1.00 0.00 N ATOM 159 CA PRO A 450 -2.222 -2.686 7.720 1.00 0.00 C ATOM 160 C PRO A 450 -2.778 -1.363 7.187 1.00 0.00 C ATOM 161 O PRO A 450 -2.404 -0.285 7.670 1.00 0.00 O ATOM 162 CB PRO A 450 -2.879 -3.137 9.027 1.00 0.00 C ATOM 163 CG PRO A 450 -1.971 -2.549 10.100 1.00 0.00 C ATOM 164 CD PRO A 450 -0.587 -2.622 9.467 1.00 0.00 C ATOM 0 HA PRO A 450 -2.402 -3.438 6.952 1.00 0.00 H new ATOM 0 HB2 PRO A 450 -3.899 -2.762 9.114 1.00 0.00 H new ATOM 0 HB3 PRO A 450 -2.932 -4.224 9.096 1.00 0.00 H new ATOM 0 HG2 PRO A 450 -2.248 -1.523 10.344 1.00 0.00 H new ATOM 0 HG3 PRO A 450 -2.020 -3.121 11.026 1.00 0.00 H new ATOM 0 HD2 PRO A 450 0.063 -1.832 9.844 1.00 0.00 H new ATOM 0 HD3 PRO A 450 -0.099 -3.571 9.690 1.00 0.00 H new ATOM 172 N TRP A 451 -3.683 -1.450 6.213 1.00 0.00 N ATOM 173 CA TRP A 451 -4.310 -0.294 5.590 1.00 0.00 C ATOM 174 C TRP A 451 -4.911 0.652 6.622 1.00 0.00 C ATOM 175 O TRP A 451 -5.535 0.189 7.587 1.00 0.00 O ATOM 176 CB TRP A 451 -5.434 -0.772 4.669 1.00 0.00 C ATOM 177 CG TRP A 451 -4.988 -1.472 3.431 1.00 0.00 C ATOM 178 CD1 TRP A 451 -5.290 -2.739 3.080 1.00 0.00 C ATOM 179 CD2 TRP A 451 -4.179 -0.942 2.344 1.00 0.00 C ATOM 180 NE1 TRP A 451 -4.734 -3.015 1.850 1.00 0.00 N ATOM 181 CE2 TRP A 451 -4.007 -1.954 1.363 1.00 0.00 C ATOM 182 CE3 TRP A 451 -3.630 0.320 2.061 1.00 0.00 C ATOM 183 CZ2 TRP A 451 -3.240 -1.743 0.209 1.00 0.00 C ATOM 184 CZ3 TRP A 451 -2.933 0.575 0.874 1.00 0.00 C ATOM 185 CH2 TRP A 451 -2.692 -0.469 -0.026 1.00 0.00 C ATOM 0 H TRP A 451 -4.003 -2.340 5.832 1.00 0.00 H new ATOM 0 HA TRP A 451 -3.540 0.242 5.035 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -6.083 -1.443 5.232 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -6.038 0.089 4.382 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -5.875 -3.428 3.670 1.00 0.00 H new ATOM 0 HE1 TRP A 451 -4.848 -3.902 1.359 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -3.749 1.117 2.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 -3.072 -2.548 -0.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -2.583 1.573 0.654 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -2.085 -0.296 -0.902 1.00 0.00 H new ATOM 196 N SER A 452 -4.734 1.956 6.406 1.00 0.00 N ATOM 197 CA SER A 452 -5.264 3.000 7.261 1.00 0.00 C ATOM 198 C SER A 452 -6.736 3.229 6.888 1.00 0.00 C ATOM 199 O SER A 452 -7.406 2.329 6.365 1.00 0.00 O ATOM 200 CB SER A 452 -4.381 4.247 7.135 1.00 0.00 C ATOM 201 OG SER A 452 -4.464 4.858 5.862 1.00 0.00 O ATOM 0 H SER A 452 -4.205 2.316 5.612 1.00 0.00 H new ATOM 0 HA SER A 452 -5.244 2.721 8.314 1.00 0.00 H new ATOM 0 HB2 SER A 452 -4.671 4.969 7.898 1.00 0.00 H new ATOM 0 HB3 SER A 452 -3.345 3.973 7.333 1.00 0.00 H new ATOM 0 HG SER A 452 -3.974 4.318 5.207 1.00 0.00 H new ATOM 207 N ALA A 453 -7.288 4.387 7.242 1.00 0.00 N ATOM 208 CA ALA A 453 -8.664 4.731 6.937 1.00 0.00 C ATOM 209 C ALA A 453 -8.859 4.771 5.420 1.00 0.00 C ATOM 210 O ALA A 453 -8.008 5.287 4.689 1.00 0.00 O ATOM 211 CB ALA A 453 -8.969 6.094 7.550 1.00 0.00 C ATOM 0 H ALA A 453 -6.785 5.114 7.751 1.00 0.00 H new ATOM 0 HA ALA A 453 -9.342 3.985 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 453 -10.001 6.369 7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 453 -8.828 6.047 8.630 1.00 0.00 H new ATOM 0 HB3 ALA A 453 -8.297 6.841 7.128 1.00 0.00 H new ATOM 217 N CYS A 454 -9.951 4.176 4.941 1.00 0.00 N ATOM 218 CA CYS A 454 -10.247 4.188 3.517 1.00 0.00 C ATOM 219 C CYS A 454 -10.735 5.593 3.188 1.00 0.00 C ATOM 220 O CYS A 454 -11.535 6.152 3.936 1.00 0.00 O ATOM 221 CB CYS A 454 -11.302 3.134 3.155 1.00 0.00 C ATOM 222 SG CYS A 454 -10.643 1.451 3.267 1.00 0.00 S ATOM 0 H CYS A 454 -10.637 3.685 5.515 1.00 0.00 H new ATOM 0 HA CYS A 454 -9.360 3.937 2.936 1.00 0.00 H new ATOM 0 HB2 CYS A 454 -12.158 3.234 3.822 1.00 0.00 H new ATOM 0 HB3 CYS A 454 -11.664 3.315 2.143 1.00 0.00 H new ATOM 227 N SER A 455 -10.299 6.145 2.056 1.00 0.00 N ATOM 228 CA SER A 455 -10.688 7.484 1.608 1.00 0.00 C ATOM 229 C SER A 455 -12.219 7.564 1.462 1.00 0.00 C ATOM 230 O SER A 455 -12.813 8.639 1.591 1.00 0.00 O ATOM 231 CB SER A 455 -9.930 7.810 0.314 1.00 0.00 C ATOM 232 OG SER A 455 -9.811 9.204 0.112 1.00 0.00 O ATOM 0 H SER A 455 -9.660 5.672 1.417 1.00 0.00 H new ATOM 0 HA SER A 455 -10.415 8.240 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 455 -8.937 7.362 0.352 1.00 0.00 H new ATOM 0 HB3 SER A 455 -10.449 7.363 -0.534 1.00 0.00 H new ATOM 0 HG SER A 455 -9.322 9.373 -0.720 1.00 0.00 H new ATOM 238 N SER A 456 -12.867 6.431 1.175 1.00 0.00 N ATOM 239 CA SER A 456 -14.310 6.356 1.068 1.00 0.00 C ATOM 240 C SER A 456 -14.834 5.842 2.398 1.00 0.00 C ATOM 241 O SER A 456 -14.214 5.004 3.060 1.00 0.00 O ATOM 242 CB SER A 456 -14.753 5.420 -0.051 1.00 0.00 C ATOM 243 OG SER A 456 -14.432 6.022 -1.273 1.00 0.00 O ATOM 0 H SER A 456 -12.395 5.542 1.011 1.00 0.00 H new ATOM 0 HA SER A 456 -14.705 7.344 0.832 1.00 0.00 H new ATOM 0 HB2 SER A 456 -14.255 4.455 0.040 1.00 0.00 H new ATOM 0 HB3 SER A 456 -15.825 5.233 0.011 1.00 0.00 H new ATOM 0 HG SER A 456 -15.157 5.869 -1.914 1.00 0.00 H new ATOM 249 N SER A 457 -16.008 6.325 2.764 1.00 0.00 N ATOM 250 CA SER A 457 -16.722 5.975 3.973 1.00 0.00 C ATOM 251 C SER A 457 -18.191 5.663 3.641 1.00 0.00 C ATOM 252 O SER A 457 -18.994 5.444 4.542 1.00 0.00 O ATOM 253 CB SER A 457 -16.483 7.068 5.013 1.00 0.00 C ATOM 254 OG SER A 457 -16.415 6.513 6.311 1.00 0.00 O ATOM 0 H SER A 457 -16.512 7.006 2.196 1.00 0.00 H new ATOM 0 HA SER A 457 -16.350 5.055 4.425 1.00 0.00 H new ATOM 0 HB2 SER A 457 -15.556 7.595 4.788 1.00 0.00 H new ATOM 0 HB3 SER A 457 -17.287 7.803 4.967 1.00 0.00 H new ATOM 0 HG SER A 457 -16.260 7.227 6.964 1.00 0.00 H new ATOM 260 N THR A 458 -18.523 5.586 2.349 1.00 0.00 N ATOM 261 CA THR A 458 -19.834 5.286 1.796 1.00 0.00 C ATOM 262 C THR A 458 -19.651 4.174 0.767 1.00 0.00 C ATOM 263 O THR A 458 -18.542 3.666 0.588 1.00 0.00 O ATOM 264 CB THR A 458 -20.416 6.549 1.152 1.00 0.00 C ATOM 265 OG1 THR A 458 -19.552 7.005 0.132 1.00 0.00 O ATOM 266 CG2 THR A 458 -20.562 7.656 2.178 1.00 0.00 C ATOM 0 H THR A 458 -17.831 5.744 1.617 1.00 0.00 H new ATOM 0 HA THR A 458 -20.529 4.959 2.569 1.00 0.00 H new ATOM 0 HB THR A 458 -21.395 6.299 0.742 1.00 0.00 H new ATOM 0 HG1 THR A 458 -19.890 7.851 -0.229 1.00 0.00 H new ATOM 0 HG21 THR A 458 -20.977 8.543 1.699 1.00 0.00 H new ATOM 0 HG22 THR A 458 -21.229 7.328 2.975 1.00 0.00 H new ATOM 0 HG23 THR A 458 -19.585 7.894 2.598 1.00 0.00 H new ATOM 274 N CYS A 459 -20.700 3.814 0.031 1.00 0.00 N ATOM 275 CA CYS A 459 -20.596 2.753 -0.969 1.00 0.00 C ATOM 276 C CYS A 459 -19.824 3.170 -2.227 1.00 0.00 C ATOM 277 O CYS A 459 -19.738 2.405 -3.191 1.00 0.00 O ATOM 278 CB CYS A 459 -21.971 2.135 -1.210 1.00 0.00 C ATOM 279 SG CYS A 459 -22.751 1.454 0.293 1.00 0.00 S ATOM 0 H CYS A 459 -21.625 4.237 0.107 1.00 0.00 H new ATOM 0 HA CYS A 459 -19.966 1.956 -0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -22.629 2.892 -1.637 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -21.876 1.340 -1.950 1.00 0.00 H new ATOM 284 N GLU A 460 -19.275 4.385 -2.220 1.00 0.00 N ATOM 285 CA GLU A 460 -18.473 4.941 -3.287 1.00 0.00 C ATOM 286 C GLU A 460 -17.131 4.194 -3.284 1.00 0.00 C ATOM 287 O GLU A 460 -16.669 3.688 -2.253 1.00 0.00 O ATOM 288 CB GLU A 460 -18.193 6.422 -2.979 1.00 0.00 C ATOM 289 CG GLU A 460 -19.412 7.344 -3.105 1.00 0.00 C ATOM 290 CD GLU A 460 -19.179 8.697 -2.420 1.00 0.00 C ATOM 291 OE1 GLU A 460 -18.209 9.399 -2.782 1.00 0.00 O ATOM 292 OE2 GLU A 460 -19.923 9.058 -1.470 1.00 0.00 O ATOM 0 H GLU A 460 -19.387 5.027 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 460 -18.984 4.847 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -17.799 6.500 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -17.414 6.778 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -19.638 7.505 -4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -20.282 6.858 -2.663 1.00 0.00 H new ATOM 299 N LYS A 461 -16.496 4.093 -4.447 1.00 0.00 N ATOM 300 CA LYS A 461 -15.190 3.447 -4.557 1.00 0.00 C ATOM 301 C LYS A 461 -14.192 4.475 -4.042 1.00 0.00 C ATOM 302 O LYS A 461 -14.364 5.679 -4.234 1.00 0.00 O ATOM 303 CB LYS A 461 -14.940 3.047 -6.021 1.00 0.00 C ATOM 304 CG LYS A 461 -15.803 1.838 -6.433 1.00 0.00 C ATOM 305 CD LYS A 461 -15.132 0.483 -6.161 1.00 0.00 C ATOM 306 CE LYS A 461 -15.994 -0.579 -5.454 1.00 0.00 C ATOM 307 NZ LYS A 461 -17.242 -0.970 -6.143 1.00 0.00 N ATOM 0 H LYS A 461 -16.864 4.450 -5.329 1.00 0.00 H new ATOM 0 HA LYS A 461 -15.109 2.526 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 461 -15.161 3.892 -6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 461 -13.886 2.806 -6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 461 -16.751 1.879 -5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 461 -16.035 1.913 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 461 -14.795 0.071 -7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 461 -14.242 0.658 -5.557 1.00 0.00 H new ATOM 0 HE2 LYS A 461 -15.387 -1.473 -5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 461 -16.252 -0.207 -4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 461 -17.740 -1.688 -5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 461 -17.852 -0.135 -6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 461 -17.014 -1.362 -7.079 1.00 0.00 H new ATOM 321 N GLY A 462 -13.147 3.998 -3.396 1.00 0.00 N ATOM 322 CA GLY A 462 -12.087 4.793 -2.813 1.00 0.00 C ATOM 323 C GLY A 462 -10.815 3.990 -2.847 1.00 0.00 C ATOM 324 O GLY A 462 -10.674 3.070 -3.651 1.00 0.00 O ATOM 0 H GLY A 462 -13.008 2.997 -3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -11.963 5.723 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.337 5.064 -1.787 1.00 0.00 H new ATOM 328 N LYS A 463 -9.899 4.297 -1.935 1.00 0.00 N ATOM 329 CA LYS A 463 -8.598 3.651 -1.774 1.00 0.00 C ATOM 330 C LYS A 463 -8.101 3.914 -0.366 1.00 0.00 C ATOM 331 O LYS A 463 -8.660 4.758 0.332 1.00 0.00 O ATOM 332 CB LYS A 463 -7.580 4.155 -2.828 1.00 0.00 C ATOM 333 CG LYS A 463 -7.858 5.594 -3.254 1.00 0.00 C ATOM 334 CD LYS A 463 -6.755 6.218 -4.105 1.00 0.00 C ATOM 335 CE LYS A 463 -7.271 7.588 -4.550 1.00 0.00 C ATOM 336 NZ LYS A 463 -6.194 8.482 -5.008 1.00 0.00 N ATOM 0 H LYS A 463 -10.050 5.040 -1.253 1.00 0.00 H new ATOM 0 HA LYS A 463 -8.706 2.578 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 463 -6.572 4.087 -2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 463 -7.613 3.506 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 463 -8.793 5.621 -3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 463 -8.002 6.204 -2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -5.833 6.318 -3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 463 -6.528 5.590 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -7.994 7.455 -5.355 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -7.800 8.059 -3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -6.600 9.395 -5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -5.516 8.634 -4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -5.704 8.049 -5.817 1.00 0.00 H new ATOM 350 N ARG A 464 -7.119 3.147 0.092 1.00 0.00 N ATOM 351 CA ARG A 464 -6.508 3.291 1.408 1.00 0.00 C ATOM 352 C ARG A 464 -5.032 3.578 1.198 1.00 0.00 C ATOM 353 O ARG A 464 -4.538 3.447 0.077 1.00 0.00 O ATOM 354 CB ARG A 464 -6.685 2.062 2.322 1.00 0.00 C ATOM 355 CG ARG A 464 -7.718 1.009 1.973 1.00 0.00 C ATOM 356 CD ARG A 464 -7.228 -0.016 0.936 1.00 0.00 C ATOM 357 NE ARG A 464 -8.194 -1.085 0.618 1.00 0.00 N ATOM 358 CZ ARG A 464 -8.829 -1.917 1.456 1.00 0.00 C ATOM 359 NH1 ARG A 464 -8.496 -1.984 2.739 1.00 0.00 N ATOM 360 NH2 ARG A 464 -9.830 -2.662 1.010 1.00 0.00 N ATOM 0 H ARG A 464 -6.715 2.388 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 464 -7.014 4.107 1.925 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -5.719 1.562 2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -6.920 2.430 3.321 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -8.009 0.483 2.882 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -8.612 1.502 1.590 1.00 0.00 H new ATOM 0 HD2 ARG A 464 -6.975 0.511 0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -6.310 -0.473 1.304 1.00 0.00 H new ATOM 0 HE ARG A 464 -8.407 -1.207 -0.372 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -7.746 -1.396 3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -8.990 -2.623 3.362 1.00 0.00 H new ATOM 0 HH21 ARG A 464 -10.115 -2.601 0.032 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -10.316 -3.296 1.644 1.00 0.00 H new ATOM 374 N MET A 465 -4.332 3.911 2.276 1.00 0.00 N ATOM 375 CA MET A 465 -2.911 4.199 2.269 1.00 0.00 C ATOM 376 C MET A 465 -2.245 3.255 3.262 1.00 0.00 C ATOM 377 O MET A 465 -2.851 2.864 4.264 1.00 0.00 O ATOM 378 CB MET A 465 -2.699 5.663 2.690 1.00 0.00 C ATOM 379 CG MET A 465 -1.217 6.051 2.707 1.00 0.00 C ATOM 380 SD MET A 465 -0.898 7.795 3.071 1.00 0.00 S ATOM 381 CE MET A 465 0.913 7.728 3.055 1.00 0.00 C ATOM 0 H MET A 465 -4.753 3.989 3.202 1.00 0.00 H new ATOM 0 HA MET A 465 -2.480 4.057 1.278 1.00 0.00 H new ATOM 0 HB2 MET A 465 -3.237 6.318 2.004 1.00 0.00 H new ATOM 0 HB3 MET A 465 -3.125 5.820 3.681 1.00 0.00 H new ATOM 0 HG2 MET A 465 -0.703 5.439 3.448 1.00 0.00 H new ATOM 0 HG3 MET A 465 -0.781 5.810 1.737 1.00 0.00 H new ATOM 0 HE1 MET A 465 1.316 8.720 3.262 1.00 0.00 H new ATOM 0 HE2 MET A 465 1.258 7.030 3.818 1.00 0.00 H new ATOM 0 HE3 MET A 465 1.256 7.394 2.076 1.00 0.00 H new ATOM 391 N ARG A 466 -1.021 2.837 2.964 1.00 0.00 N ATOM 392 CA ARG A 466 -0.227 1.977 3.826 1.00 0.00 C ATOM 393 C ARG A 466 1.219 2.316 3.541 1.00 0.00 C ATOM 394 O ARG A 466 1.540 2.816 2.459 1.00 0.00 O ATOM 395 CB ARG A 466 -0.495 0.478 3.617 1.00 0.00 C ATOM 396 CG ARG A 466 -0.023 -0.079 2.265 1.00 0.00 C ATOM 397 CD ARG A 466 -0.378 -1.565 2.142 1.00 0.00 C ATOM 398 NE ARG A 466 0.041 -2.128 0.847 1.00 0.00 N ATOM 399 CZ ARG A 466 -0.161 -3.384 0.430 1.00 0.00 C ATOM 400 NH1 ARG A 466 -0.655 -4.321 1.229 1.00 0.00 N ATOM 401 NH2 ARG A 466 0.103 -3.707 -0.825 1.00 0.00 N ATOM 0 H ARG A 466 -0.545 3.093 2.099 1.00 0.00 H new ATOM 0 HA ARG A 466 -0.494 2.158 4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 466 -0.004 -0.079 4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 466 -1.566 0.298 3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 466 -0.487 0.480 1.453 1.00 0.00 H new ATOM 0 HG3 ARG A 466 1.055 0.053 2.167 1.00 0.00 H new ATOM 0 HD2 ARG A 466 0.099 -2.120 2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 466 -1.454 -1.692 2.261 1.00 0.00 H new ATOM 0 HE ARG A 466 0.531 -1.502 0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 466 -0.894 -4.094 2.194 1.00 0.00 H new ATOM 0 HH12 ARG A 466 -0.796 -5.268 0.878 1.00 0.00 H new ATOM 0 HH21 ARG A 466 0.459 -3.001 -1.469 1.00 0.00 H new ATOM 0 HH22 ARG A 466 -0.049 -4.662 -1.149 1.00 0.00 H new ATOM 415 N GLN A 467 2.088 2.044 4.500 1.00 0.00 N ATOM 416 CA GLN A 467 3.508 2.288 4.374 1.00 0.00 C ATOM 417 C GLN A 467 4.237 1.125 5.040 1.00 0.00 C ATOM 418 O GLN A 467 3.630 0.352 5.785 1.00 0.00 O ATOM 419 CB GLN A 467 3.887 3.706 4.853 1.00 0.00 C ATOM 420 CG GLN A 467 3.536 3.978 6.322 1.00 0.00 C ATOM 421 CD GLN A 467 3.613 5.471 6.631 1.00 0.00 C ATOM 422 OE1 GLN A 467 4.704 6.032 6.712 1.00 0.00 O ATOM 423 NE2 GLN A 467 2.479 6.121 6.841 1.00 0.00 N ATOM 0 H GLN A 467 1.820 1.642 5.398 1.00 0.00 H new ATOM 0 HA GLN A 467 3.831 2.304 3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 467 4.958 3.853 4.712 1.00 0.00 H new ATOM 0 HB3 GLN A 467 3.379 4.439 4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 467 2.533 3.609 6.535 1.00 0.00 H new ATOM 0 HG3 GLN A 467 4.221 3.432 6.971 1.00 0.00 H new ATOM 0 HE21 GLN A 467 1.588 5.630 6.767 1.00 0.00 H new ATOM 0 HE22 GLN A 467 2.496 7.113 7.077 1.00 0.00 H new ATOM 432 N ARG A 468 5.517 0.948 4.744 1.00 0.00 N ATOM 433 CA ARG A 468 6.344 -0.120 5.295 1.00 0.00 C ATOM 434 C ARG A 468 7.713 0.416 5.655 1.00 0.00 C ATOM 435 O ARG A 468 8.150 1.427 5.109 1.00 0.00 O ATOM 436 CB ARG A 468 6.411 -1.315 4.332 1.00 0.00 C ATOM 437 CG ARG A 468 6.980 -0.972 2.952 1.00 0.00 C ATOM 438 CD ARG A 468 6.701 -2.089 1.942 1.00 0.00 C ATOM 439 NE ARG A 468 7.021 -1.675 0.566 1.00 0.00 N ATOM 440 CZ ARG A 468 7.037 -2.465 -0.515 1.00 0.00 C ATOM 441 NH1 ARG A 468 6.888 -3.781 -0.416 1.00 0.00 N ATOM 442 NH2 ARG A 468 7.182 -1.917 -1.714 1.00 0.00 N ATOM 0 H ARG A 468 6.022 1.556 4.099 1.00 0.00 H new ATOM 0 HA ARG A 468 5.887 -0.489 6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 468 7.023 -2.097 4.782 1.00 0.00 H new ATOM 0 HB3 ARG A 468 5.409 -1.726 4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 468 6.541 -0.040 2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 468 8.055 -0.809 3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 468 7.288 -2.969 2.202 1.00 0.00 H new ATOM 0 HD3 ARG A 468 5.651 -2.377 2.000 1.00 0.00 H new ATOM 0 HE ARG A 468 7.253 -0.692 0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 468 6.758 -4.212 0.499 1.00 0.00 H new ATOM 0 HH12 ARG A 468 6.904 -4.361 -1.255 1.00 0.00 H new ATOM 0 HH21 ARG A 468 7.280 -0.906 -1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 468 7.196 -2.507 -2.546 1.00 0.00 H new ATOM 456 N MET A 469 8.391 -0.281 6.557 1.00 0.00 N ATOM 457 CA MET A 469 9.706 0.099 7.029 1.00 0.00 C ATOM 458 C MET A 469 10.745 -0.649 6.222 1.00 0.00 C ATOM 459 O MET A 469 10.694 -1.879 6.104 1.00 0.00 O ATOM 460 CB MET A 469 9.839 -0.176 8.533 1.00 0.00 C ATOM 461 CG MET A 469 8.992 0.819 9.330 1.00 0.00 C ATOM 462 SD MET A 469 9.165 0.698 11.125 1.00 0.00 S ATOM 463 CE MET A 469 8.383 2.260 11.598 1.00 0.00 C ATOM 0 H MET A 469 8.034 -1.136 6.984 1.00 0.00 H new ATOM 0 HA MET A 469 9.860 1.169 6.891 1.00 0.00 H new ATOM 0 HB2 MET A 469 9.520 -1.195 8.753 1.00 0.00 H new ATOM 0 HB3 MET A 469 10.884 -0.097 8.833 1.00 0.00 H new ATOM 0 HG2 MET A 469 9.258 1.830 9.021 1.00 0.00 H new ATOM 0 HG3 MET A 469 7.944 0.672 9.070 1.00 0.00 H new ATOM 0 HE1 MET A 469 8.398 2.360 12.683 1.00 0.00 H new ATOM 0 HE2 MET A 469 8.928 3.090 11.150 1.00 0.00 H new ATOM 0 HE3 MET A 469 7.351 2.272 11.246 1.00 0.00 H new ATOM 473 N LEU A 470 11.670 0.099 5.630 1.00 0.00 N ATOM 474 CA LEU A 470 12.765 -0.416 4.829 1.00 0.00 C ATOM 475 C LEU A 470 13.613 -1.297 5.755 1.00 0.00 C ATOM 476 O LEU A 470 13.965 -0.881 6.860 1.00 0.00 O ATOM 477 CB LEU A 470 13.513 0.793 4.221 1.00 0.00 C ATOM 478 CG LEU A 470 14.527 0.509 3.094 1.00 0.00 C ATOM 479 CD1 LEU A 470 15.821 -0.096 3.612 1.00 0.00 C ATOM 480 CD2 LEU A 470 13.934 -0.369 2.015 1.00 0.00 C ATOM 0 H LEU A 470 11.674 1.117 5.700 1.00 0.00 H new ATOM 0 HA LEU A 470 12.454 -1.036 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 470 12.769 1.490 3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 470 14.040 1.303 5.027 1.00 0.00 H new ATOM 0 HG LEU A 470 14.768 1.478 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 470 16.498 -0.276 2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 470 16.288 0.592 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 470 15.606 -1.039 4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 470 14.679 -0.546 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 470 13.628 -1.321 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 470 13.067 0.126 1.578 1.00 0.00 H new ATOM 492 N LYS A 471 13.782 -2.576 5.412 1.00 0.00 N ATOM 493 CA LYS A 471 14.577 -3.538 6.182 1.00 0.00 C ATOM 494 C LYS A 471 16.027 -3.286 5.804 1.00 0.00 C ATOM 495 O LYS A 471 16.858 -3.037 6.673 1.00 0.00 O ATOM 496 CB LYS A 471 14.194 -4.982 5.819 1.00 0.00 C ATOM 497 CG LYS A 471 12.852 -5.478 6.347 1.00 0.00 C ATOM 498 CD LYS A 471 12.907 -6.137 7.719 1.00 0.00 C ATOM 499 CE LYS A 471 13.733 -7.425 7.748 1.00 0.00 C ATOM 500 NZ LYS A 471 13.628 -8.129 9.043 1.00 0.00 N ATOM 0 H LYS A 471 13.362 -2.981 4.575 1.00 0.00 H new ATOM 0 HA LYS A 471 14.404 -3.414 7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 471 14.189 -5.072 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 471 14.974 -5.647 6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 471 12.162 -4.635 6.392 1.00 0.00 H new ATOM 0 HG3 LYS A 471 12.438 -6.191 5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 471 13.326 -5.430 8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 471 11.892 -6.359 8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 471 13.398 -8.087 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 471 14.778 -7.188 7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 14.204 -8.995 9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 13.972 -7.509 9.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 12.635 -8.380 9.222 1.00 0.00 H new ATOM 514 N ALA A 472 16.327 -3.389 4.510 1.00 0.00 N ATOM 515 CA ALA A 472 17.635 -3.173 3.932 1.00 0.00 C ATOM 516 C ALA A 472 17.471 -2.739 2.475 1.00 0.00 C ATOM 517 O ALA A 472 16.398 -2.875 1.891 1.00 0.00 O ATOM 518 CB ALA A 472 18.418 -4.481 4.008 1.00 0.00 C ATOM 0 H ALA A 472 15.626 -3.637 3.811 1.00 0.00 H new ATOM 0 HA ALA A 472 18.172 -2.395 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 472 19.409 -4.338 3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 472 18.517 -4.786 5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 472 17.888 -5.255 3.452 1.00 0.00 H new ATOM 524 N GLN A 473 18.529 -2.198 1.886 1.00 0.00 N ATOM 525 CA GLN A 473 18.581 -1.742 0.504 1.00 0.00 C ATOM 526 C GLN A 473 19.818 -2.431 -0.061 1.00 0.00 C ATOM 527 O GLN A 473 20.858 -2.464 0.597 1.00 0.00 O ATOM 528 CB GLN A 473 18.596 -0.204 0.424 1.00 0.00 C ATOM 529 CG GLN A 473 19.865 0.411 1.024 1.00 0.00 C ATOM 530 CD GLN A 473 19.767 1.918 1.229 1.00 0.00 C ATOM 531 OE1 GLN A 473 19.709 2.368 2.364 1.00 0.00 O ATOM 532 NE2 GLN A 473 19.768 2.723 0.185 1.00 0.00 N ATOM 0 H GLN A 473 19.411 -2.059 2.379 1.00 0.00 H new ATOM 0 HA GLN A 473 17.702 -2.003 -0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 473 18.508 0.102 -0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 473 17.725 0.191 0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 473 20.074 -0.066 1.982 1.00 0.00 H new ATOM 0 HG3 GLN A 473 20.709 0.195 0.370 1.00 0.00 H new ATOM 0 HE21 GLN A 473 19.817 2.336 -0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 473 19.720 3.733 0.320 1.00 0.00 H new ATOM 541 N LEU A 474 19.715 -3.034 -1.238 1.00 0.00 N ATOM 542 CA LEU A 474 20.839 -3.742 -1.845 1.00 0.00 C ATOM 543 C LEU A 474 21.894 -2.759 -2.346 1.00 0.00 C ATOM 544 O LEU A 474 23.030 -3.161 -2.598 1.00 0.00 O ATOM 545 CB LEU A 474 20.357 -4.616 -3.005 1.00 0.00 C ATOM 546 CG LEU A 474 19.529 -5.871 -2.653 1.00 0.00 C ATOM 547 CD1 LEU A 474 20.407 -6.963 -2.060 1.00 0.00 C ATOM 548 CD2 LEU A 474 18.371 -5.686 -1.668 1.00 0.00 C ATOM 0 H LEU A 474 18.861 -3.048 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 474 21.287 -4.377 -1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 474 19.758 -3.993 -3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 474 21.232 -4.937 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 474 19.100 -6.130 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 474 19.795 -7.833 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 474 21.174 -7.245 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 474 20.882 -6.594 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 474 17.873 -6.642 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 474 18.757 -5.314 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 474 17.658 -4.970 -2.075 1.00 0.00 H new ATOM 560 N ASP A 475 21.528 -1.493 -2.530 1.00 0.00 N ATOM 561 CA ASP A 475 22.410 -0.431 -2.976 1.00 0.00 C ATOM 562 C ASP A 475 22.240 0.670 -1.945 1.00 0.00 C ATOM 563 O ASP A 475 21.176 1.279 -1.850 1.00 0.00 O ATOM 564 CB ASP A 475 22.086 0.052 -4.391 1.00 0.00 C ATOM 565 CG ASP A 475 23.169 1.039 -4.798 1.00 0.00 C ATOM 566 OD1 ASP A 475 23.132 2.205 -4.369 1.00 0.00 O ATOM 567 OD2 ASP A 475 24.134 0.615 -5.477 1.00 0.00 O ATOM 0 H ASP A 475 20.574 -1.173 -2.365 1.00 0.00 H new ATOM 0 HA ASP A 475 23.443 -0.773 -3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 475 22.053 -0.788 -5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 475 21.105 0.527 -4.419 1.00 0.00 H new ATOM 572 N LEU A 476 23.243 0.837 -1.088 1.00 0.00 N ATOM 573 CA LEU A 476 23.257 1.829 -0.021 1.00 0.00 C ATOM 574 C LEU A 476 23.321 3.264 -0.550 1.00 0.00 C ATOM 575 O LEU A 476 23.170 4.194 0.243 1.00 0.00 O ATOM 576 CB LEU A 476 24.465 1.589 0.903 1.00 0.00 C ATOM 577 CG LEU A 476 24.377 0.452 1.935 1.00 0.00 C ATOM 578 CD1 LEU A 476 23.273 0.708 2.967 1.00 0.00 C ATOM 579 CD2 LEU A 476 24.204 -0.930 1.296 1.00 0.00 C ATOM 0 H LEU A 476 24.090 0.270 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 476 22.321 1.714 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 476 25.334 1.400 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 476 24.659 2.515 1.444 1.00 0.00 H new ATOM 0 HG LEU A 476 25.338 0.447 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 476 23.242 -0.117 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 476 23.479 1.638 3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 476 22.311 0.786 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 476 24.149 -1.688 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 476 23.286 -0.947 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 476 25.054 -1.140 0.647 1.00 0.00 H new ATOM 591 N SER A 477 23.575 3.463 -1.842 1.00 0.00 N ATOM 592 CA SER A 477 23.680 4.776 -2.454 1.00 0.00 C ATOM 593 C SER A 477 22.374 5.235 -3.094 1.00 0.00 C ATOM 594 O SER A 477 22.201 6.433 -3.325 1.00 0.00 O ATOM 595 CB SER A 477 24.847 4.764 -3.447 1.00 0.00 C ATOM 596 OG SER A 477 25.987 4.097 -2.907 1.00 0.00 O ATOM 0 H SER A 477 23.716 2.698 -2.501 1.00 0.00 H new ATOM 0 HA SER A 477 23.881 5.512 -1.675 1.00 0.00 H new ATOM 0 HB2 SER A 477 24.537 4.270 -4.368 1.00 0.00 H new ATOM 0 HB3 SER A 477 25.114 5.788 -3.709 1.00 0.00 H new ATOM 0 HG SER A 477 26.713 4.105 -3.565 1.00 0.00 H new ATOM 602 N VAL A 478 21.409 4.336 -3.273 1.00 0.00 N ATOM 603 CA VAL A 478 20.123 4.627 -3.879 1.00 0.00 C ATOM 604 C VAL A 478 19.035 4.187 -2.888 1.00 0.00 C ATOM 605 O VAL A 478 18.922 2.989 -2.611 1.00 0.00 O ATOM 606 CB VAL A 478 20.066 3.904 -5.232 1.00 0.00 C ATOM 607 CG1 VAL A 478 18.687 4.055 -5.893 1.00 0.00 C ATOM 608 CG2 VAL A 478 21.132 4.420 -6.215 1.00 0.00 C ATOM 0 H VAL A 478 21.508 3.361 -2.991 1.00 0.00 H new ATOM 0 HA VAL A 478 19.967 5.687 -4.080 1.00 0.00 H new ATOM 0 HB VAL A 478 20.261 2.854 -5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 478 18.682 3.531 -6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 478 17.923 3.630 -5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 478 18.476 5.112 -6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 478 21.051 3.878 -7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 478 20.977 5.484 -6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 478 22.124 4.264 -5.791 1.00 0.00 H new ATOM 618 N PRO A 479 18.274 5.122 -2.287 1.00 0.00 N ATOM 619 CA PRO A 479 17.227 4.781 -1.335 1.00 0.00 C ATOM 620 C PRO A 479 16.070 4.070 -2.031 1.00 0.00 C ATOM 621 O PRO A 479 15.950 4.092 -3.253 1.00 0.00 O ATOM 622 CB PRO A 479 16.755 6.109 -0.740 1.00 0.00 C ATOM 623 CG PRO A 479 17.055 7.124 -1.840 1.00 0.00 C ATOM 624 CD PRO A 479 18.297 6.557 -2.522 1.00 0.00 C ATOM 0 HA PRO A 479 17.597 4.103 -0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 479 15.693 6.084 -0.497 1.00 0.00 H new ATOM 0 HB3 PRO A 479 17.287 6.347 0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 479 16.222 7.218 -2.537 1.00 0.00 H new ATOM 0 HG3 PRO A 479 17.241 8.117 -1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 479 18.288 6.776 -3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 479 19.203 7.003 -2.112 1.00 0.00 H new ATOM 632 N CYS A 480 15.168 3.509 -1.223 1.00 0.00 N ATOM 633 CA CYS A 480 13.999 2.792 -1.703 1.00 0.00 C ATOM 634 C CYS A 480 12.728 3.529 -1.259 1.00 0.00 C ATOM 635 O CYS A 480 12.138 3.141 -0.248 1.00 0.00 O ATOM 636 CB CYS A 480 14.072 1.344 -1.206 1.00 0.00 C ATOM 637 SG CYS A 480 15.562 0.436 -1.717 1.00 0.00 S ATOM 0 H CYS A 480 15.235 3.544 -0.206 1.00 0.00 H new ATOM 0 HA CYS A 480 13.971 2.759 -2.792 1.00 0.00 H new ATOM 0 HB2 CYS A 480 14.020 1.345 -0.117 1.00 0.00 H new ATOM 0 HB3 CYS A 480 13.195 0.807 -1.566 1.00 0.00 H new ATOM 642 N PRO A 481 12.289 4.576 -1.981 1.00 0.00 N ATOM 643 CA PRO A 481 11.099 5.370 -1.656 1.00 0.00 C ATOM 644 C PRO A 481 9.766 4.617 -1.784 1.00 0.00 C ATOM 645 O PRO A 481 8.740 5.131 -1.342 1.00 0.00 O ATOM 646 CB PRO A 481 11.147 6.573 -2.606 1.00 0.00 C ATOM 647 CG PRO A 481 11.887 6.008 -3.816 1.00 0.00 C ATOM 648 CD PRO A 481 12.926 5.105 -3.180 1.00 0.00 C ATOM 0 HA PRO A 481 11.128 5.651 -0.603 1.00 0.00 H new ATOM 0 HB2 PRO A 481 10.149 6.923 -2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 481 11.676 7.418 -2.165 1.00 0.00 H new ATOM 0 HG2 PRO A 481 11.220 5.455 -4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 481 12.346 6.795 -4.414 1.00 0.00 H new ATOM 0 HD2 PRO A 481 13.218 4.303 -3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 481 13.831 5.659 -2.933 1.00 0.00 H new ATOM 656 N ASP A 482 9.755 3.389 -2.310 1.00 0.00 N ATOM 657 CA ASP A 482 8.594 2.507 -2.524 1.00 0.00 C ATOM 658 C ASP A 482 7.979 2.000 -1.205 1.00 0.00 C ATOM 659 O ASP A 482 7.288 0.975 -1.155 1.00 0.00 O ATOM 660 CB ASP A 482 9.015 1.330 -3.423 1.00 0.00 C ATOM 661 CG ASP A 482 9.235 1.680 -4.894 1.00 0.00 C ATOM 662 OD1 ASP A 482 9.796 2.763 -5.176 1.00 0.00 O ATOM 663 OD2 ASP A 482 8.923 0.835 -5.764 1.00 0.00 O ATOM 0 H ASP A 482 10.620 2.948 -2.622 1.00 0.00 H new ATOM 0 HA ASP A 482 7.815 3.090 -3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 482 9.936 0.902 -3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 482 8.251 0.555 -3.361 1.00 0.00 H new ATOM 668 N THR A 483 8.256 2.674 -0.096 1.00 0.00 N ATOM 669 CA THR A 483 7.786 2.390 1.248 1.00 0.00 C ATOM 670 C THR A 483 6.317 2.762 1.447 1.00 0.00 C ATOM 671 O THR A 483 5.850 2.637 2.567 1.00 0.00 O ATOM 672 CB THR A 483 8.709 3.127 2.242 1.00 0.00 C ATOM 673 OG1 THR A 483 9.071 4.414 1.766 1.00 0.00 O ATOM 674 CG2 THR A 483 10.001 2.325 2.414 1.00 0.00 C ATOM 0 H THR A 483 8.861 3.495 -0.118 1.00 0.00 H new ATOM 0 HA THR A 483 7.832 1.316 1.426 1.00 0.00 H new ATOM 0 HB THR A 483 8.166 3.229 3.181 1.00 0.00 H new ATOM 0 HG1 THR A 483 9.654 4.853 2.420 1.00 0.00 H new ATOM 0 HG21 THR A 483 10.658 2.840 3.115 1.00 0.00 H new ATOM 0 HG22 THR A 483 9.765 1.333 2.799 1.00 0.00 H new ATOM 0 HG23 THR A 483 10.501 2.230 1.450 1.00 0.00 H new ATOM 682 N GLN A 484 5.576 3.174 0.416 1.00 0.00 N ATOM 683 CA GLN A 484 4.172 3.563 0.499 1.00 0.00 C ATOM 684 C GLN A 484 3.395 2.997 -0.686 1.00 0.00 C ATOM 685 O GLN A 484 3.918 2.956 -1.802 1.00 0.00 O ATOM 686 CB GLN A 484 4.044 5.092 0.584 1.00 0.00 C ATOM 687 CG GLN A 484 4.993 5.859 -0.352 1.00 0.00 C ATOM 688 CD GLN A 484 4.887 7.351 -0.101 1.00 0.00 C ATOM 689 OE1 GLN A 484 4.013 8.037 -0.635 1.00 0.00 O ATOM 690 NE2 GLN A 484 5.723 7.861 0.789 1.00 0.00 N ATOM 0 H GLN A 484 5.952 3.247 -0.529 1.00 0.00 H new ATOM 0 HA GLN A 484 3.740 3.145 1.408 1.00 0.00 H new ATOM 0 HB2 GLN A 484 3.017 5.373 0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 484 4.234 5.404 1.611 1.00 0.00 H new ATOM 0 HG2 GLN A 484 6.019 5.528 -0.191 1.00 0.00 H new ATOM 0 HG3 GLN A 484 4.746 5.640 -1.391 1.00 0.00 H new ATOM 0 HE21 GLN A 484 6.437 7.270 1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 484 5.653 8.845 1.049 1.00 0.00 H new ATOM 699 N ASP A 485 2.162 2.554 -0.447 1.00 0.00 N ATOM 700 CA ASP A 485 1.264 1.985 -1.462 1.00 0.00 C ATOM 701 C ASP A 485 -0.162 2.473 -1.222 1.00 0.00 C ATOM 702 O ASP A 485 -0.506 2.910 -0.119 1.00 0.00 O ATOM 703 CB ASP A 485 1.329 0.451 -1.410 1.00 0.00 C ATOM 704 CG ASP A 485 0.589 -0.302 -2.522 1.00 0.00 C ATOM 705 OD1 ASP A 485 0.145 0.288 -3.527 1.00 0.00 O ATOM 706 OD2 ASP A 485 0.471 -1.539 -2.397 1.00 0.00 O ATOM 0 H ASP A 485 1.744 2.580 0.483 1.00 0.00 H new ATOM 0 HA ASP A 485 1.580 2.313 -2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 485 2.377 0.153 -1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 485 0.927 0.125 -0.451 1.00 0.00 H new ATOM 711 N PHE A 486 -0.974 2.422 -2.275 1.00 0.00 N ATOM 712 CA PHE A 486 -2.361 2.822 -2.335 1.00 0.00 C ATOM 713 C PHE A 486 -3.048 1.831 -3.256 1.00 0.00 C ATOM 714 O PHE A 486 -2.594 1.631 -4.387 1.00 0.00 O ATOM 715 CB PHE A 486 -2.516 4.234 -2.915 1.00 0.00 C ATOM 716 CG PHE A 486 -2.092 5.354 -1.992 1.00 0.00 C ATOM 717 CD1 PHE A 486 -0.729 5.677 -1.839 1.00 0.00 C ATOM 718 CD2 PHE A 486 -3.070 6.085 -1.294 1.00 0.00 C ATOM 719 CE1 PHE A 486 -0.340 6.716 -0.979 1.00 0.00 C ATOM 720 CE2 PHE A 486 -2.681 7.162 -0.480 1.00 0.00 C ATOM 721 CZ PHE A 486 -1.319 7.476 -0.320 1.00 0.00 C ATOM 0 H PHE A 486 -0.645 2.071 -3.174 1.00 0.00 H new ATOM 0 HA PHE A 486 -2.792 2.832 -1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 486 -1.932 4.299 -3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 486 -3.560 4.385 -3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 486 0.020 5.123 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 486 -4.113 5.820 -1.383 1.00 0.00 H new ATOM 0 HE1 PHE A 486 0.707 6.930 -0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 486 -3.431 7.752 0.025 1.00 0.00 H new ATOM 0 HZ PHE A 486 -1.026 8.303 0.310 1.00 0.00 H new ATOM 731 N GLN A 487 -4.097 1.189 -2.751 1.00 0.00 N ATOM 732 CA GLN A 487 -4.915 0.213 -3.460 1.00 0.00 C ATOM 733 C GLN A 487 -6.385 0.608 -3.213 1.00 0.00 C ATOM 734 O GLN A 487 -6.667 1.248 -2.190 1.00 0.00 O ATOM 735 CB GLN A 487 -4.589 -1.210 -2.976 1.00 0.00 C ATOM 736 CG GLN A 487 -3.163 -1.710 -3.199 1.00 0.00 C ATOM 737 CD GLN A 487 -2.845 -1.834 -4.667 1.00 0.00 C ATOM 738 OE1 GLN A 487 -3.507 -2.561 -5.400 1.00 0.00 O ATOM 739 NE2 GLN A 487 -1.844 -1.114 -5.108 1.00 0.00 N ATOM 0 H GLN A 487 -4.413 1.342 -1.794 1.00 0.00 H new ATOM 0 HA GLN A 487 -4.714 0.212 -4.531 1.00 0.00 H new ATOM 0 HB2 GLN A 487 -4.803 -1.262 -1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 487 -5.271 -1.901 -3.472 1.00 0.00 H new ATOM 0 HG2 GLN A 487 -2.458 -1.024 -2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 487 -3.036 -2.678 -2.715 1.00 0.00 H new ATOM 0 HE21 GLN A 487 -1.319 -0.522 -4.464 1.00 0.00 H new ATOM 0 HE22 GLN A 487 -1.589 -1.145 -6.095 1.00 0.00 H new ATOM 748 N PRO A 488 -7.341 0.224 -4.079 1.00 0.00 N ATOM 749 CA PRO A 488 -8.750 0.581 -3.945 1.00 0.00 C ATOM 750 C PRO A 488 -9.449 0.034 -2.692 1.00 0.00 C ATOM 751 O PRO A 488 -9.022 -0.959 -2.095 1.00 0.00 O ATOM 752 CB PRO A 488 -9.424 0.129 -5.244 1.00 0.00 C ATOM 753 CG PRO A 488 -8.512 -0.974 -5.769 1.00 0.00 C ATOM 754 CD PRO A 488 -7.133 -0.524 -5.305 1.00 0.00 C ATOM 0 HA PRO A 488 -8.834 1.658 -3.796 1.00 0.00 H new ATOM 0 HB2 PRO A 488 -10.433 -0.240 -5.062 1.00 0.00 H new ATOM 0 HB3 PRO A 488 -9.508 0.950 -5.956 1.00 0.00 H new ATOM 0 HG2 PRO A 488 -8.778 -1.948 -5.359 1.00 0.00 H new ATOM 0 HG3 PRO A 488 -8.565 -1.060 -6.854 1.00 0.00 H new ATOM 0 HD2 PRO A 488 -6.482 -1.381 -5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 488 -6.651 0.095 -6.061 1.00 0.00 H new ATOM 762 N CYS A 489 -10.529 0.709 -2.277 1.00 0.00 N ATOM 763 CA CYS A 489 -11.383 0.408 -1.129 1.00 0.00 C ATOM 764 C CYS A 489 -12.791 0.962 -1.389 1.00 0.00 C ATOM 765 O CYS A 489 -13.108 1.346 -2.517 1.00 0.00 O ATOM 766 CB CYS A 489 -10.782 1.046 0.134 1.00 0.00 C ATOM 767 SG CYS A 489 -11.433 0.394 1.709 1.00 0.00 S ATOM 0 H CYS A 489 -10.849 1.540 -2.774 1.00 0.00 H new ATOM 0 HA CYS A 489 -11.447 -0.670 -0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -9.702 0.902 0.117 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -10.961 2.121 0.101 1.00 0.00 H new ATOM 772 N MET A 490 -13.635 0.958 -0.364 1.00 0.00 N ATOM 773 CA MET A 490 -15.008 1.433 -0.273 1.00 0.00 C ATOM 774 C MET A 490 -15.208 1.792 1.203 1.00 0.00 C ATOM 775 O MET A 490 -14.286 1.652 2.015 1.00 0.00 O ATOM 776 CB MET A 490 -16.028 0.341 -0.648 1.00 0.00 C ATOM 777 CG MET A 490 -15.871 -0.202 -2.064 1.00 0.00 C ATOM 778 SD MET A 490 -16.787 -1.723 -2.413 1.00 0.00 S ATOM 779 CE MET A 490 -18.462 -1.221 -1.961 1.00 0.00 C ATOM 0 H MET A 490 -13.334 0.574 0.532 1.00 0.00 H new ATOM 0 HA MET A 490 -15.165 2.267 -0.957 1.00 0.00 H new ATOM 0 HB2 MET A 490 -15.935 -0.484 0.058 1.00 0.00 H new ATOM 0 HB3 MET A 490 -17.034 0.745 -0.536 1.00 0.00 H new ATOM 0 HG2 MET A 490 -16.192 0.566 -2.768 1.00 0.00 H new ATOM 0 HG3 MET A 490 -14.813 -0.383 -2.251 1.00 0.00 H new ATOM 0 HE1 MET A 490 -19.160 -2.022 -2.204 1.00 0.00 H new ATOM 0 HE2 MET A 490 -18.504 -1.015 -0.891 1.00 0.00 H new ATOM 0 HE3 MET A 490 -18.734 -0.322 -2.515 1.00 0.00 H new ATOM 789 N GLY A 491 -16.394 2.256 1.566 1.00 0.00 N ATOM 790 CA GLY A 491 -16.710 2.585 2.944 1.00 0.00 C ATOM 791 C GLY A 491 -16.973 1.306 3.753 1.00 0.00 C ATOM 792 O GLY A 491 -17.414 0.300 3.182 1.00 0.00 O ATOM 0 H GLY A 491 -17.162 2.414 0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 491 -15.886 3.142 3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 491 -17.587 3.231 2.978 1.00 0.00 H new ATOM 796 N PRO A 492 -16.746 1.341 5.077 1.00 0.00 N ATOM 797 CA PRO A 492 -16.959 0.200 5.951 1.00 0.00 C ATOM 798 C PRO A 492 -18.468 -0.014 6.042 1.00 0.00 C ATOM 799 O PRO A 492 -19.208 0.879 6.451 1.00 0.00 O ATOM 800 CB PRO A 492 -16.300 0.567 7.286 1.00 0.00 C ATOM 801 CG PRO A 492 -16.379 2.092 7.307 1.00 0.00 C ATOM 802 CD PRO A 492 -16.243 2.476 5.838 1.00 0.00 C ATOM 0 HA PRO A 492 -16.523 -0.736 5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 492 -16.828 0.125 8.131 1.00 0.00 H new ATOM 0 HB3 PRO A 492 -15.269 0.217 7.336 1.00 0.00 H new ATOM 0 HG2 PRO A 492 -17.323 2.439 7.727 1.00 0.00 H new ATOM 0 HG3 PRO A 492 -15.583 2.527 7.911 1.00 0.00 H new ATOM 0 HD2 PRO A 492 -16.814 3.378 5.616 1.00 0.00 H new ATOM 0 HD3 PRO A 492 -15.204 2.686 5.584 1.00 0.00 H new ATOM 810 N GLY A 493 -18.934 -1.194 5.650 1.00 0.00 N ATOM 811 CA GLY A 493 -20.339 -1.576 5.641 1.00 0.00 C ATOM 812 C GLY A 493 -20.820 -1.816 4.211 1.00 0.00 C ATOM 813 O GLY A 493 -21.804 -2.532 4.013 1.00 0.00 O ATOM 0 H GLY A 493 -18.320 -1.938 5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 493 -20.480 -2.479 6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 493 -20.938 -0.793 6.106 1.00 0.00 H new ATOM 817 N CYS A 494 -20.148 -1.213 3.225 1.00 0.00 N ATOM 818 CA CYS A 494 -20.470 -1.361 1.814 1.00 0.00 C ATOM 819 C CYS A 494 -19.611 -2.471 1.220 1.00 0.00 C ATOM 820 O CYS A 494 -20.005 -3.125 0.261 1.00 0.00 O ATOM 821 CB CYS A 494 -20.213 -0.041 1.113 1.00 0.00 C ATOM 822 SG CYS A 494 -21.282 1.286 1.713 1.00 0.00 S ATOM 0 H CYS A 494 -19.352 -0.599 3.395 1.00 0.00 H new ATOM 0 HA CYS A 494 -21.519 -1.629 1.684 1.00 0.00 H new ATOM 0 HB2 CYS A 494 -19.171 0.245 1.256 1.00 0.00 H new ATOM 0 HB3 CYS A 494 -20.365 -0.168 0.041 1.00 0.00 H new ATOM 827 N SER A 495 -18.380 -2.618 1.698 1.00 0.00 N ATOM 828 CA SER A 495 -17.503 -3.674 1.239 1.00 0.00 C ATOM 829 C SER A 495 -17.950 -4.953 1.954 1.00 0.00 C ATOM 830 O SER A 495 -18.703 -4.893 2.934 1.00 0.00 O ATOM 831 CB SER A 495 -16.067 -3.298 1.575 1.00 0.00 C ATOM 832 OG SER A 495 -15.974 -2.779 2.891 1.00 0.00 O ATOM 0 H SER A 495 -17.970 -2.011 2.408 1.00 0.00 H new ATOM 0 HA SER A 495 -17.552 -3.826 0.161 1.00 0.00 H new ATOM 0 HB2 SER A 495 -15.426 -4.174 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 495 -15.704 -2.558 0.862 1.00 0.00 H new ATOM 0 HG SER A 495 -15.042 -2.546 3.086 1.00 0.00 H new ATOM 838 N ASP A 496 -17.448 -6.106 1.512 1.00 0.00 N ATOM 839 CA ASP A 496 -17.780 -7.417 2.071 1.00 0.00 C ATOM 840 C ASP A 496 -19.284 -7.704 1.951 1.00 0.00 C ATOM 841 O ASP A 496 -19.853 -8.480 2.714 1.00 0.00 O ATOM 842 CB ASP A 496 -17.232 -7.538 3.502 1.00 0.00 C ATOM 843 CG ASP A 496 -17.291 -8.971 4.004 1.00 0.00 C ATOM 844 OD1 ASP A 496 -16.790 -9.872 3.299 1.00 0.00 O ATOM 845 OD2 ASP A 496 -17.717 -9.175 5.163 1.00 0.00 O ATOM 0 H ASP A 496 -16.785 -6.156 0.739 1.00 0.00 H new ATOM 0 HA ASP A 496 -17.290 -8.197 1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 496 -16.201 -7.185 3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 496 -17.807 -6.895 4.168 1.00 0.00 H new ATOM 850 N GLU A 497 -19.941 -7.048 0.992 1.00 0.00 N ATOM 851 CA GLU A 497 -21.361 -7.172 0.715 1.00 0.00 C ATOM 852 C GLU A 497 -21.636 -8.411 -0.132 1.00 0.00 C ATOM 853 O GLU A 497 -22.448 -9.253 0.237 1.00 0.00 O ATOM 854 CB GLU A 497 -21.813 -5.909 -0.034 1.00 0.00 C ATOM 855 CG GLU A 497 -23.317 -5.858 -0.320 1.00 0.00 C ATOM 856 CD GLU A 497 -24.070 -5.502 0.954 1.00 0.00 C ATOM 857 OE1 GLU A 497 -24.166 -6.366 1.852 1.00 0.00 O ATOM 858 OE2 GLU A 497 -24.506 -4.335 1.090 1.00 0.00 O ATOM 0 H GLU A 497 -19.474 -6.392 0.366 1.00 0.00 H new ATOM 0 HA GLU A 497 -21.913 -7.277 1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 497 -21.535 -5.033 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 497 -21.272 -5.846 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -23.525 -5.120 -1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -23.658 -6.822 -0.698 1.00 0.00 H new ATOM 865 N ASP A 498 -20.940 -8.517 -1.264 1.00 0.00 N ATOM 866 CA ASP A 498 -21.007 -9.572 -2.279 1.00 0.00 C ATOM 867 C ASP A 498 -22.345 -9.677 -3.023 1.00 0.00 C ATOM 868 O ASP A 498 -22.440 -10.429 -3.996 1.00 0.00 O ATOM 869 CB ASP A 498 -20.506 -10.925 -1.762 1.00 0.00 C ATOM 870 CG ASP A 498 -20.078 -11.839 -2.916 1.00 0.00 C ATOM 871 OD1 ASP A 498 -19.280 -11.388 -3.772 1.00 0.00 O ATOM 872 OD2 ASP A 498 -20.465 -13.030 -2.925 1.00 0.00 O ATOM 0 H ASP A 498 -20.255 -7.805 -1.518 1.00 0.00 H new ATOM 0 HA ASP A 498 -20.304 -9.246 -3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 498 -19.664 -10.770 -1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 498 -21.293 -11.410 -1.184 1.00 0.00 H new ATOM 877 N GLY A 499 -23.340 -8.864 -2.660 1.00 0.00 N ATOM 878 CA GLY A 499 -24.660 -8.821 -3.272 1.00 0.00 C ATOM 879 C GLY A 499 -24.712 -7.810 -4.401 1.00 0.00 C ATOM 880 O GLY A 499 -23.717 -7.685 -5.154 1.00 0.00 O ATOM 0 H GLY A 499 -23.238 -8.192 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -24.918 -9.809 -3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -25.405 -8.566 -2.518 1.00 0.00 H new TER 884 GLY A 499