USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 615 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 374 TYR OH : rot -80:sc= -0.163 USER MOD Set 1.2: A 384 GLN : amide:sc= 0.547 K(o=0.38,f=-2.5!) USER MOD Set 2.1: A 363 MET CE :methyl 179:sc= -1.02 (180deg=-1.08) USER MOD Set 2.2: A 426 ASN : amide:sc= -1.29! K(o=-2.2!,f=-7.5) USER MOD Set 2.3: A 445 SER OG : rot 103:sc= 0.146 USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 365 THR OG1 : rot 99:sc= 0.069 USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot -94:sc= 0.782 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 379 TYR OH : rot 30:sc= 0.881 USER MOD Single : A 381 ASN : amide:sc= -0.541 K(o=-0.54,f=-2.1!) USER MOD Single : A 386 SER OG : rot -25:sc= 0.138 USER MOD Single : A 391 ASN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= -1.78 X(o=-1.8,f=-1.4) USER MOD Single : A 398 ASN : amide:sc= 1.18 K(o=1.2,f=-0.4) USER MOD Single : A 401 LYS NZ :NH3+ 160:sc= -0.0808 (180deg=-0.497) USER MOD Single : A 402 TYR OH : rot -70:sc= -2.06 USER MOD Single : A 404 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 406 GLN :FLIP amide:sc= -0.0844 F(o=-1.5,f=-0.084) USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 410 ASN : amide:sc= -2.4! C(o=-2.4!,f=-9.3!) USER MOD Single : A 413 HIS : no HE2:sc= 0.308 K(o=0.31,f=-2!) USER MOD Single : A 415 SER OG : rot -31:sc= 0.0259 USER MOD Single : A 419 THR OG1 : rot 46:sc= 0.599 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= 0.604 K(o=0.6,f=0) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 439 TYR OH : rot 180:sc= 0 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl 159:sc= -0.319 (180deg=-1.48) USER MOD Single : A 444 LYS NZ :NH3+ -145:sc= 0.842 (180deg=-1.04!) USER MOD Single : A 450 SER OG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 357 8.612 15.072 3.505 1.00 35.33 N ATOM 2 CA TYR A 357 8.844 13.763 4.094 1.00 21.00 C ATOM 3 C TYR A 357 7.912 12.736 3.459 1.00 63.13 C ATOM 4 O TYR A 357 6.694 12.893 3.500 1.00 31.20 O ATOM 5 CB TYR A 357 8.707 13.814 5.654 1.00 41.02 C ATOM 6 CG TYR A 357 7.348 14.238 6.223 1.00 15.54 C ATOM 7 CD1 TYR A 357 7.054 15.574 6.474 1.00 54.11 C ATOM 8 CD2 TYR A 357 6.377 13.292 6.529 1.00 45.44 C ATOM 9 CE1 TYR A 357 5.829 15.949 7.004 1.00 51.45 C ATOM 10 CE2 TYR A 357 5.162 13.659 7.057 1.00 71.33 C ATOM 11 CZ TYR A 357 4.888 14.981 7.292 1.00 75.34 C ATOM 12 OH TYR A 357 3.662 15.342 7.826 1.00 64.42 O ATOM 0 HA TYR A 357 9.868 13.453 3.886 1.00 21.00 H new ATOM 0 HB2 TYR A 357 8.944 12.825 6.047 1.00 41.02 H new ATOM 0 HB3 TYR A 357 9.463 14.499 6.038 1.00 41.02 H new ATOM 0 HD1 TYR A 357 7.792 16.331 6.253 1.00 54.11 H new ATOM 0 HD2 TYR A 357 6.581 12.247 6.348 1.00 45.44 H new ATOM 0 HE1 TYR A 357 5.613 16.991 7.190 1.00 51.45 H new ATOM 0 HE2 TYR A 357 4.423 12.905 7.287 1.00 71.33 H new ATOM 0 HH TYR A 357 3.118 14.539 7.968 1.00 64.42 H new ATOM 24 N ARG A 358 8.477 11.705 2.822 1.00 72.40 N ATOM 25 CA ARG A 358 7.654 10.679 2.194 1.00 4.44 C ATOM 26 C ARG A 358 8.141 9.249 2.492 1.00 30.53 C ATOM 27 O ARG A 358 8.165 8.814 3.637 1.00 15.14 O ATOM 28 CB ARG A 358 7.488 10.888 0.662 1.00 42.31 C ATOM 29 CG ARG A 358 6.813 12.182 0.265 1.00 34.11 C ATOM 30 CD ARG A 358 6.577 12.263 -1.236 1.00 2.45 C ATOM 31 NE ARG A 358 5.894 13.508 -1.598 1.00 2.32 N ATOM 32 CZ ARG A 358 5.341 13.782 -2.791 1.00 24.03 C ATOM 33 NH1 ARG A 358 5.349 12.877 -3.779 1.00 31.31 N ATOM 34 NH2 ARG A 358 4.762 14.960 -2.988 1.00 62.42 N ATOM 0 H ARG A 358 9.483 11.564 2.731 1.00 72.40 H new ATOM 0 HA ARG A 358 6.671 10.794 2.652 1.00 4.44 H new ATOM 0 HB2 ARG A 358 8.473 10.851 0.196 1.00 42.31 H new ATOM 0 HB3 ARG A 358 6.912 10.056 0.257 1.00 42.31 H new ATOM 0 HG2 ARG A 358 5.860 12.269 0.787 1.00 34.11 H new ATOM 0 HG3 ARG A 358 7.428 13.024 0.581 1.00 34.11 H new ATOM 0 HD2 ARG A 358 7.531 12.202 -1.761 1.00 2.45 H new ATOM 0 HD3 ARG A 358 5.980 11.410 -1.560 1.00 2.45 H new ATOM 0 HE ARG A 358 5.833 14.230 -0.881 1.00 2.32 H new ATOM 0 HH11 ARG A 358 5.779 11.964 -3.631 1.00 31.31 H new ATOM 0 HH12 ARG A 358 4.925 13.101 -4.679 1.00 31.31 H new ATOM 0 HH21 ARG A 358 4.739 15.649 -2.236 1.00 62.42 H new ATOM 0 HH22 ARG A 358 4.340 15.176 -3.891 1.00 62.42 H new ATOM 46 N ALA A 359 8.542 8.552 1.453 1.00 5.54 N ATOM 47 CA ALA A 359 8.930 7.166 1.519 1.00 53.22 C ATOM 48 C ALA A 359 10.015 6.915 0.488 1.00 63.54 C ATOM 49 O ALA A 359 10.078 7.634 -0.513 1.00 62.00 O ATOM 50 CB ALA A 359 7.719 6.272 1.263 1.00 15.33 C ATOM 0 H ALA A 359 8.608 8.946 0.515 1.00 5.54 H new ATOM 0 HA ALA A 359 9.316 6.931 2.511 1.00 53.22 H new ATOM 0 HB1 ALA A 359 8.021 5.226 1.315 1.00 15.33 H new ATOM 0 HB2 ALA A 359 6.957 6.467 2.017 1.00 15.33 H new ATOM 0 HB3 ALA A 359 7.313 6.484 0.274 1.00 15.33 H new ATOM 56 N ILE A 360 10.867 5.934 0.716 1.00 3.51 N ATOM 57 CA ILE A 360 11.946 5.646 -0.224 1.00 23.11 C ATOM 58 C ILE A 360 11.371 4.835 -1.377 1.00 23.40 C ATOM 59 O ILE A 360 10.882 3.719 -1.189 1.00 13.43 O ATOM 60 CB ILE A 360 13.140 4.831 0.415 1.00 51.04 C ATOM 61 CG1 ILE A 360 13.858 5.589 1.556 1.00 72.22 C ATOM 62 CG2 ILE A 360 14.153 4.429 -0.650 1.00 60.33 C ATOM 63 CD1 ILE A 360 13.059 5.767 2.828 1.00 42.31 C ATOM 0 H ILE A 360 10.839 5.325 1.534 1.00 3.51 H new ATOM 0 HA ILE A 360 12.352 6.603 -0.551 1.00 23.11 H new ATOM 0 HB ILE A 360 12.691 3.940 0.854 1.00 51.04 H new ATOM 0 HG12 ILE A 360 14.778 5.057 1.798 1.00 72.22 H new ATOM 0 HG13 ILE A 360 14.146 6.574 1.188 1.00 72.22 H new ATOM 0 HG21 ILE A 360 14.965 3.869 -0.187 1.00 60.33 H new ATOM 0 HG22 ILE A 360 13.665 3.806 -1.400 1.00 60.33 H new ATOM 0 HG23 ILE A 360 14.554 5.323 -1.127 1.00 60.33 H new ATOM 0 HD11 ILE A 360 13.657 6.310 3.560 1.00 42.31 H new ATOM 0 HD12 ILE A 360 12.151 6.329 2.611 1.00 42.31 H new ATOM 0 HD13 ILE A 360 12.793 4.790 3.230 1.00 42.31 H new ATOM 70 N LYS A 361 11.422 5.402 -2.555 1.00 14.12 N ATOM 71 CA LYS A 361 10.808 4.810 -3.708 1.00 61.43 C ATOM 72 C LYS A 361 11.748 3.868 -4.445 1.00 4.42 C ATOM 73 O LYS A 361 12.974 3.979 -4.339 1.00 71.13 O ATOM 74 CB LYS A 361 10.225 5.885 -4.640 1.00 53.34 C ATOM 75 CG LYS A 361 11.234 6.869 -5.209 1.00 31.14 C ATOM 76 CD LYS A 361 10.544 7.920 -6.067 1.00 51.43 C ATOM 77 CE LYS A 361 11.532 8.922 -6.632 1.00 10.14 C ATOM 78 NZ LYS A 361 10.862 9.973 -7.436 1.00 34.50 N ATOM 0 H LYS A 361 11.892 6.288 -2.738 1.00 14.12 H new ATOM 0 HA LYS A 361 9.979 4.198 -3.352 1.00 61.43 H new ATOM 0 HB2 LYS A 361 9.720 5.389 -5.468 1.00 53.34 H new ATOM 0 HB3 LYS A 361 9.466 6.444 -4.093 1.00 53.34 H new ATOM 0 HG2 LYS A 361 11.773 7.355 -4.395 1.00 31.14 H new ATOM 0 HG3 LYS A 361 11.973 6.334 -5.806 1.00 31.14 H new ATOM 0 HD2 LYS A 361 10.014 7.431 -6.885 1.00 51.43 H new ATOM 0 HD3 LYS A 361 9.797 8.443 -5.470 1.00 51.43 H new ATOM 0 HE2 LYS A 361 12.083 9.387 -5.815 1.00 10.14 H new ATOM 0 HE3 LYS A 361 12.261 8.401 -7.252 1.00 10.14 H new ATOM 0 HZ1 LYS A 361 11.574 10.636 -7.803 1.00 34.50 H new ATOM 0 HZ2 LYS A 361 10.357 9.533 -8.231 1.00 34.50 H new ATOM 0 HZ3 LYS A 361 10.184 10.488 -6.838 1.00 34.50 H new ATOM 92 N GLY A 362 11.157 2.926 -5.165 1.00 65.43 N ATOM 93 CA GLY A 362 11.904 1.937 -5.927 1.00 41.23 C ATOM 94 C GLY A 362 12.660 0.948 -5.062 1.00 43.44 C ATOM 95 O GLY A 362 13.499 0.203 -5.559 1.00 72.12 O ATOM 0 H GLY A 362 10.144 2.826 -5.237 1.00 65.43 H new ATOM 0 HA2 GLY A 362 11.215 1.391 -6.571 1.00 41.23 H new ATOM 0 HA3 GLY A 362 12.610 2.451 -6.579 1.00 41.23 H new ATOM 99 N MET A 363 12.367 0.934 -3.777 1.00 3.01 N ATOM 100 CA MET A 363 13.046 0.029 -2.867 1.00 22.53 C ATOM 101 C MET A 363 12.286 -1.293 -2.740 1.00 63.32 C ATOM 102 O MET A 363 12.893 -2.349 -2.511 1.00 0.43 O ATOM 103 CB MET A 363 13.265 0.702 -1.506 1.00 1.44 C ATOM 104 CG MET A 363 14.038 -0.140 -0.496 1.00 32.05 C ATOM 105 SD MET A 363 14.411 0.764 1.024 1.00 42.42 S ATOM 106 CE MET A 363 12.773 1.196 1.584 1.00 63.00 C ATOM 0 H MET A 363 11.668 1.534 -3.340 1.00 3.01 H new ATOM 0 HA MET A 363 14.028 -0.208 -3.277 1.00 22.53 H new ATOM 0 HB2 MET A 363 13.799 1.640 -1.661 1.00 1.44 H new ATOM 0 HB3 MET A 363 12.294 0.955 -1.080 1.00 1.44 H new ATOM 0 HG2 MET A 363 13.458 -1.030 -0.252 1.00 32.05 H new ATOM 0 HG3 MET A 363 14.969 -0.480 -0.949 1.00 32.05 H new ATOM 0 HE1 MET A 363 12.842 1.743 2.524 1.00 63.00 H new ATOM 0 HE2 MET A 363 12.286 1.821 0.836 1.00 63.00 H new ATOM 0 HE3 MET A 363 12.189 0.288 1.735 1.00 63.00 H new ATOM 116 N GLU A 364 10.953 -1.213 -2.927 1.00 51.30 N ATOM 117 CA GLU A 364 10.027 -2.362 -2.869 1.00 22.43 C ATOM 118 C GLU A 364 9.878 -2.901 -1.443 1.00 4.32 C ATOM 119 O GLU A 364 10.857 -3.237 -0.777 1.00 34.32 O ATOM 120 CB GLU A 364 10.438 -3.478 -3.849 1.00 72.41 C ATOM 121 CG GLU A 364 9.522 -4.693 -3.842 1.00 35.12 C ATOM 122 CD GLU A 364 10.001 -5.780 -4.766 1.00 61.11 C ATOM 123 OE1 GLU A 364 10.826 -6.606 -4.345 1.00 21.14 O ATOM 124 OE2 GLU A 364 9.562 -5.833 -5.925 1.00 33.12 O ATOM 0 H GLU A 364 10.481 -0.331 -3.126 1.00 51.30 H new ATOM 0 HA GLU A 364 9.049 -1.996 -3.183 1.00 22.43 H new ATOM 0 HB2 GLU A 364 10.466 -3.066 -4.858 1.00 72.41 H new ATOM 0 HB3 GLU A 364 11.451 -3.801 -3.608 1.00 72.41 H new ATOM 0 HG2 GLU A 364 9.453 -5.087 -2.828 1.00 35.12 H new ATOM 0 HG3 GLU A 364 8.517 -4.388 -4.134 1.00 35.12 H new ATOM 131 N THR A 365 8.667 -2.962 -0.982 1.00 62.23 N ATOM 132 CA THR A 365 8.382 -3.430 0.325 1.00 60.22 C ATOM 133 C THR A 365 7.359 -4.553 0.236 1.00 71.23 C ATOM 134 O THR A 365 6.279 -4.365 -0.328 1.00 64.31 O ATOM 135 CB THR A 365 7.854 -2.282 1.206 1.00 33.11 C ATOM 136 OG1 THR A 365 8.819 -1.214 1.232 1.00 54.14 O ATOM 137 CG2 THR A 365 7.596 -2.773 2.612 1.00 32.40 C ATOM 0 H THR A 365 7.843 -2.683 -1.515 1.00 62.23 H new ATOM 0 HA THR A 365 9.295 -3.809 0.784 1.00 60.22 H new ATOM 0 HB THR A 365 6.916 -1.917 0.787 1.00 33.11 H new ATOM 0 HG1 THR A 365 8.553 -0.517 0.597 1.00 54.14 H new ATOM 0 HG21 THR A 365 7.223 -1.950 3.222 1.00 32.40 H new ATOM 0 HG22 THR A 365 6.855 -3.572 2.588 1.00 32.40 H new ATOM 0 HG23 THR A 365 8.524 -3.152 3.041 1.00 32.40 H new ATOM 143 N LYS A 366 7.713 -5.715 0.730 1.00 4.33 N ATOM 144 CA LYS A 366 6.824 -6.851 0.714 1.00 0.05 C ATOM 145 C LYS A 366 6.811 -7.515 2.060 1.00 22.12 C ATOM 146 O LYS A 366 7.858 -7.647 2.688 1.00 42.31 O ATOM 147 CB LYS A 366 7.271 -7.850 -0.324 1.00 51.43 C ATOM 148 CG LYS A 366 7.258 -7.316 -1.726 1.00 61.11 C ATOM 149 CD LYS A 366 7.817 -8.303 -2.743 1.00 63.32 C ATOM 150 CE LYS A 366 6.971 -9.566 -2.870 1.00 35.15 C ATOM 151 NZ LYS A 366 7.529 -10.523 -3.859 1.00 55.21 N ATOM 0 H LYS A 366 8.623 -5.899 1.153 1.00 4.33 H new ATOM 0 HA LYS A 366 5.822 -6.499 0.470 1.00 0.05 H new ATOM 0 HB2 LYS A 366 8.280 -8.184 -0.082 1.00 51.43 H new ATOM 0 HB3 LYS A 366 6.625 -8.726 -0.273 1.00 51.43 H new ATOM 0 HG2 LYS A 366 6.235 -7.059 -2.002 1.00 61.11 H new ATOM 0 HG3 LYS A 366 7.840 -6.395 -1.764 1.00 61.11 H new ATOM 0 HD2 LYS A 366 7.883 -7.816 -3.716 1.00 63.32 H new ATOM 0 HD3 LYS A 366 8.832 -8.579 -2.455 1.00 63.32 H new ATOM 0 HE2 LYS A 366 6.901 -10.053 -1.897 1.00 35.15 H new ATOM 0 HE3 LYS A 366 5.957 -9.293 -3.164 1.00 35.15 H new ATOM 0 HZ1 LYS A 366 6.920 -11.364 -3.910 1.00 55.21 H new ATOM 0 HZ2 LYS A 366 7.572 -10.070 -4.794 1.00 55.21 H new ATOM 0 HZ3 LYS A 366 8.486 -10.806 -3.567 1.00 55.21 H new ATOM 165 N ARG A 367 5.653 -7.955 2.500 1.00 52.22 N ATOM 166 CA ARG A 367 5.538 -8.580 3.801 1.00 12.14 C ATOM 167 C ARG A 367 4.283 -9.456 3.835 1.00 0.10 C ATOM 168 O ARG A 367 3.224 -9.034 3.380 1.00 62.12 O ATOM 169 CB ARG A 367 5.524 -7.452 4.872 1.00 45.25 C ATOM 170 CG ARG A 367 5.613 -7.833 6.364 1.00 52.44 C ATOM 171 CD ARG A 367 4.312 -8.278 7.005 1.00 61.54 C ATOM 172 NE ARG A 367 4.458 -8.338 8.488 1.00 0.52 N ATOM 173 CZ ARG A 367 3.655 -8.981 9.364 1.00 12.31 C ATOM 174 NH1 ARG A 367 2.704 -9.795 8.943 1.00 42.52 N ATOM 175 NH2 ARG A 367 3.853 -8.829 10.670 1.00 15.32 N ATOM 0 H ARG A 367 4.779 -7.892 1.978 1.00 52.22 H new ATOM 0 HA ARG A 367 6.381 -9.238 4.012 1.00 12.14 H new ATOM 0 HB2 ARG A 367 6.355 -6.782 4.654 1.00 45.25 H new ATOM 0 HB3 ARG A 367 4.607 -6.879 4.733 1.00 45.25 H new ATOM 0 HG2 ARG A 367 6.344 -8.634 6.473 1.00 52.44 H new ATOM 0 HG3 ARG A 367 5.995 -6.975 6.917 1.00 52.44 H new ATOM 0 HD2 ARG A 367 3.513 -7.586 6.739 1.00 61.54 H new ATOM 0 HD3 ARG A 367 4.026 -9.257 6.621 1.00 61.54 H new ATOM 0 HE ARG A 367 5.253 -7.838 8.885 1.00 0.52 H new ATOM 0 HH11 ARG A 367 2.567 -9.946 7.944 1.00 42.52 H new ATOM 0 HH12 ARG A 367 2.106 -10.273 9.617 1.00 42.52 H new ATOM 0 HH21 ARG A 367 4.607 -8.230 11.005 1.00 15.32 H new ATOM 0 HH22 ARG A 367 3.250 -9.311 11.337 1.00 15.32 H new ATOM 187 N GLU A 368 4.408 -10.667 4.350 1.00 21.52 N ATOM 188 CA GLU A 368 3.268 -11.604 4.402 1.00 51.11 C ATOM 189 C GLU A 368 2.367 -11.249 5.533 1.00 43.23 C ATOM 190 O GLU A 368 2.808 -11.131 6.659 1.00 20.14 O ATOM 191 CB GLU A 368 3.684 -13.083 4.544 1.00 72.02 C ATOM 192 CG GLU A 368 4.397 -13.710 3.353 1.00 35.42 C ATOM 193 CD GLU A 368 5.739 -13.116 3.067 1.00 60.23 C ATOM 194 OE1 GLU A 368 6.714 -13.472 3.762 1.00 20.11 O ATOM 195 OE2 GLU A 368 5.856 -12.311 2.132 1.00 71.15 O ATOM 0 H GLU A 368 5.276 -11.035 4.739 1.00 21.52 H new ATOM 0 HA GLU A 368 2.756 -11.504 3.445 1.00 51.11 H new ATOM 0 HB2 GLU A 368 4.334 -13.172 5.415 1.00 72.02 H new ATOM 0 HB3 GLU A 368 2.789 -13.670 4.753 1.00 72.02 H new ATOM 0 HG2 GLU A 368 4.515 -14.778 3.534 1.00 35.42 H new ATOM 0 HG3 GLU A 368 3.768 -13.604 2.469 1.00 35.42 H new ATOM 202 N ILE A 369 1.112 -11.063 5.245 1.00 44.44 N ATOM 203 CA ILE A 369 0.156 -10.702 6.243 1.00 32.14 C ATOM 204 C ILE A 369 -1.009 -11.629 6.084 1.00 45.13 C ATOM 205 O ILE A 369 -1.608 -11.674 5.032 1.00 44.10 O ATOM 206 CB ILE A 369 -0.291 -9.235 6.043 1.00 30.20 C ATOM 207 CG1 ILE A 369 0.947 -8.352 5.975 1.00 75.05 C ATOM 208 CG2 ILE A 369 -1.174 -8.787 7.204 1.00 72.43 C ATOM 209 CD1 ILE A 369 0.685 -6.930 5.632 1.00 32.44 C ATOM 0 H ILE A 369 0.724 -11.159 4.307 1.00 44.44 H new ATOM 0 HA ILE A 369 0.582 -10.784 7.243 1.00 32.14 H new ATOM 0 HB ILE A 369 -0.863 -9.153 5.119 1.00 30.20 H new ATOM 0 HG12 ILE A 369 1.456 -8.390 6.938 1.00 75.05 H new ATOM 0 HG13 ILE A 369 1.632 -8.768 5.236 1.00 75.05 H new ATOM 0 HG21 ILE A 369 -1.481 -7.753 7.050 1.00 72.43 H new ATOM 0 HG22 ILE A 369 -2.057 -9.424 7.256 1.00 72.43 H new ATOM 0 HG23 ILE A 369 -0.615 -8.864 8.137 1.00 72.43 H new ATOM 0 HD11 ILE A 369 1.627 -6.382 5.608 1.00 32.44 H new ATOM 0 HD12 ILE A 369 0.207 -6.874 4.654 1.00 32.44 H new ATOM 0 HD13 ILE A 369 0.028 -6.490 6.382 1.00 32.44 H new ATOM 216 N GLY A 370 -1.284 -12.419 7.093 1.00 2.14 N ATOM 217 CA GLY A 370 -2.370 -13.386 7.002 1.00 15.32 C ATOM 218 C GLY A 370 -2.086 -14.494 5.989 1.00 74.14 C ATOM 219 O GLY A 370 -2.972 -15.281 5.649 1.00 11.22 O ATOM 0 H GLY A 370 -0.782 -12.419 7.981 1.00 2.14 H new ATOM 0 HA2 GLY A 370 -2.539 -13.830 7.983 1.00 15.32 H new ATOM 0 HA3 GLY A 370 -3.289 -12.870 6.723 1.00 15.32 H new ATOM 223 N GLY A 371 -0.860 -14.551 5.501 1.00 53.15 N ATOM 224 CA GLY A 371 -0.504 -15.571 4.561 1.00 43.12 C ATOM 225 C GLY A 371 -0.349 -15.061 3.158 1.00 52.14 C ATOM 226 O GLY A 371 0.056 -15.801 2.272 1.00 54.12 O ATOM 0 H GLY A 371 -0.109 -13.905 5.743 1.00 53.15 H new ATOM 0 HA2 GLY A 371 0.431 -16.035 4.876 1.00 43.12 H new ATOM 0 HA3 GLY A 371 -1.267 -16.349 4.575 1.00 43.12 H new ATOM 230 N TYR A 372 -0.699 -13.826 2.937 1.00 12.13 N ATOM 231 CA TYR A 372 -0.537 -13.236 1.643 1.00 21.15 C ATOM 232 C TYR A 372 0.498 -12.123 1.700 1.00 24.23 C ATOM 233 O TYR A 372 0.526 -11.337 2.643 1.00 11.14 O ATOM 234 CB TYR A 372 -1.892 -12.769 1.062 1.00 10.34 C ATOM 235 CG TYR A 372 -2.714 -11.908 1.987 1.00 54.31 C ATOM 236 CD1 TYR A 372 -2.381 -10.601 2.201 1.00 55.32 C ATOM 237 CD2 TYR A 372 -3.833 -12.416 2.641 1.00 23.14 C ATOM 238 CE1 TYR A 372 -3.116 -9.810 3.027 1.00 43.31 C ATOM 239 CE2 TYR A 372 -4.583 -11.622 3.478 1.00 44.30 C ATOM 240 CZ TYR A 372 -4.217 -10.312 3.665 1.00 62.51 C ATOM 241 OH TYR A 372 -4.959 -9.500 4.494 1.00 75.21 O ATOM 0 H TYR A 372 -1.100 -13.207 3.641 1.00 12.13 H new ATOM 0 HA TYR A 372 -0.161 -13.993 0.954 1.00 21.15 H new ATOM 0 HB2 TYR A 372 -1.705 -12.214 0.143 1.00 10.34 H new ATOM 0 HB3 TYR A 372 -2.477 -13.648 0.791 1.00 10.34 H new ATOM 0 HD1 TYR A 372 -1.516 -10.187 1.704 1.00 55.32 H new ATOM 0 HD2 TYR A 372 -4.116 -13.447 2.489 1.00 23.14 H new ATOM 0 HE1 TYR A 372 -2.829 -8.780 3.180 1.00 43.31 H new ATOM 0 HE2 TYR A 372 -5.449 -12.025 3.982 1.00 44.30 H new ATOM 0 HH TYR A 372 -5.708 -10.010 4.868 1.00 75.21 H new ATOM 251 N THR A 373 1.352 -12.086 0.732 1.00 2.13 N ATOM 252 CA THR A 373 2.408 -11.112 0.679 1.00 1.15 C ATOM 253 C THR A 373 1.903 -9.775 0.172 1.00 73.14 C ATOM 254 O THR A 373 1.384 -9.682 -0.925 1.00 50.12 O ATOM 255 CB THR A 373 3.533 -11.602 -0.243 1.00 62.10 C ATOM 256 OG1 THR A 373 3.996 -12.882 0.214 1.00 21.44 O ATOM 257 CG2 THR A 373 4.694 -10.618 -0.254 1.00 44.31 C ATOM 0 H THR A 373 1.342 -12.734 -0.055 1.00 2.13 H new ATOM 0 HA THR A 373 2.786 -10.982 1.693 1.00 1.15 H new ATOM 0 HB THR A 373 3.141 -11.685 -1.257 1.00 62.10 H new ATOM 0 HG1 THR A 373 4.770 -12.759 0.802 1.00 21.44 H new ATOM 0 HG21 THR A 373 5.478 -10.988 -0.915 1.00 44.31 H new ATOM 0 HG22 THR A 373 4.346 -9.649 -0.611 1.00 44.31 H new ATOM 0 HG23 THR A 373 5.090 -10.512 0.756 1.00 44.31 H new ATOM 263 N TYR A 374 2.049 -8.761 0.958 1.00 55.44 N ATOM 264 CA TYR A 374 1.707 -7.462 0.516 1.00 23.33 C ATOM 265 C TYR A 374 2.893 -6.812 -0.095 1.00 73.13 C ATOM 266 O TYR A 374 3.938 -6.725 0.520 1.00 35.32 O ATOM 267 CB TYR A 374 1.100 -6.616 1.608 1.00 62.22 C ATOM 268 CG TYR A 374 -0.355 -6.419 1.378 1.00 31.34 C ATOM 269 CD1 TYR A 374 -0.781 -5.593 0.354 1.00 65.23 C ATOM 270 CD2 TYR A 374 -1.305 -7.051 2.145 1.00 65.51 C ATOM 271 CE1 TYR A 374 -2.090 -5.395 0.098 1.00 61.51 C ATOM 272 CE2 TYR A 374 -2.655 -6.846 1.882 1.00 61.44 C ATOM 273 CZ TYR A 374 -3.036 -6.029 0.870 1.00 70.25 C ATOM 274 OH TYR A 374 -4.379 -5.844 0.626 1.00 4.32 O ATOM 0 H TYR A 374 2.405 -8.813 1.913 1.00 55.44 H new ATOM 0 HA TYR A 374 0.931 -7.559 -0.243 1.00 23.33 H new ATOM 0 HB2 TYR A 374 1.258 -7.094 2.575 1.00 62.22 H new ATOM 0 HB3 TYR A 374 1.601 -5.649 1.645 1.00 62.22 H new ATOM 0 HD1 TYR A 374 -0.045 -5.093 -0.258 1.00 65.23 H new ATOM 0 HD2 TYR A 374 -1.004 -7.705 2.950 1.00 65.51 H new ATOM 0 HE1 TYR A 374 -2.394 -4.743 -0.708 1.00 61.51 H new ATOM 0 HE2 TYR A 374 -3.402 -7.339 2.486 1.00 61.44 H new ATOM 0 HH TYR A 374 -4.669 -4.995 1.020 1.00 4.32 H new ATOM 284 N LYS A 375 2.732 -6.385 -1.302 1.00 74.43 N ATOM 285 CA LYS A 375 3.812 -5.835 -2.078 1.00 34.41 C ATOM 286 C LYS A 375 3.492 -4.434 -2.467 1.00 64.05 C ATOM 287 O LYS A 375 2.462 -4.190 -3.054 1.00 60.24 O ATOM 288 CB LYS A 375 4.000 -6.679 -3.345 1.00 54.42 C ATOM 289 CG LYS A 375 5.042 -6.166 -4.310 1.00 60.32 C ATOM 290 CD LYS A 375 5.087 -7.040 -5.543 1.00 34.21 C ATOM 291 CE LYS A 375 6.050 -6.487 -6.550 1.00 14.33 C ATOM 292 NZ LYS A 375 6.115 -7.300 -7.790 1.00 55.44 N ATOM 0 H LYS A 375 1.837 -6.405 -1.792 1.00 74.43 H new ATOM 0 HA LYS A 375 4.726 -5.844 -1.484 1.00 34.41 H new ATOM 0 HB2 LYS A 375 4.269 -7.693 -3.050 1.00 54.42 H new ATOM 0 HB3 LYS A 375 3.045 -6.741 -3.866 1.00 54.42 H new ATOM 0 HG2 LYS A 375 4.813 -5.138 -4.592 1.00 60.32 H new ATOM 0 HG3 LYS A 375 6.020 -6.154 -3.828 1.00 60.32 H new ATOM 0 HD2 LYS A 375 5.383 -8.052 -5.267 1.00 34.21 H new ATOM 0 HD3 LYS A 375 4.092 -7.108 -5.983 1.00 34.21 H new ATOM 0 HE2 LYS A 375 5.758 -5.468 -6.804 1.00 14.33 H new ATOM 0 HE3 LYS A 375 7.043 -6.432 -6.104 1.00 14.33 H new ATOM 0 HZ1 LYS A 375 6.795 -6.872 -8.450 1.00 55.44 H new ATOM 0 HZ2 LYS A 375 6.420 -8.266 -7.556 1.00 55.44 H new ATOM 0 HZ3 LYS A 375 5.175 -7.332 -8.234 1.00 55.44 H new ATOM 306 N VAL A 376 4.359 -3.530 -2.152 1.00 5.52 N ATOM 307 CA VAL A 376 4.179 -2.169 -2.548 1.00 42.33 C ATOM 308 C VAL A 376 5.430 -1.651 -3.266 1.00 61.32 C ATOM 309 O VAL A 376 6.540 -1.616 -2.696 1.00 23.45 O ATOM 310 CB VAL A 376 3.786 -1.263 -1.328 1.00 42.42 C ATOM 311 CG1 VAL A 376 4.816 -1.328 -0.234 1.00 71.14 C ATOM 312 CG2 VAL A 376 3.559 0.173 -1.744 1.00 20.43 C ATOM 0 H VAL A 376 5.208 -3.710 -1.616 1.00 5.52 H new ATOM 0 HA VAL A 376 3.348 -2.124 -3.252 1.00 42.33 H new ATOM 0 HB VAL A 376 2.847 -1.657 -0.939 1.00 42.42 H new ATOM 0 HG11 VAL A 376 4.509 -0.688 0.593 1.00 71.14 H new ATOM 0 HG12 VAL A 376 4.909 -2.356 0.117 1.00 71.14 H new ATOM 0 HG13 VAL A 376 5.777 -0.988 -0.619 1.00 71.14 H new ATOM 0 HG21 VAL A 376 3.289 0.767 -0.871 1.00 20.43 H new ATOM 0 HG22 VAL A 376 4.472 0.572 -2.186 1.00 20.43 H new ATOM 0 HG23 VAL A 376 2.752 0.217 -2.476 1.00 20.43 H new ATOM 318 N VAL A 377 5.276 -1.315 -4.527 1.00 34.33 N ATOM 319 CA VAL A 377 6.349 -0.716 -5.255 1.00 24.11 C ATOM 320 C VAL A 377 5.979 0.723 -5.486 1.00 31.22 C ATOM 321 O VAL A 377 5.006 1.031 -6.180 1.00 31.15 O ATOM 322 CB VAL A 377 6.638 -1.424 -6.600 1.00 61.33 C ATOM 323 CG1 VAL A 377 7.839 -0.781 -7.282 1.00 13.22 C ATOM 324 CG2 VAL A 377 6.892 -2.904 -6.376 1.00 42.33 C ATOM 0 H VAL A 377 4.417 -1.450 -5.060 1.00 34.33 H new ATOM 0 HA VAL A 377 7.267 -0.807 -4.674 1.00 24.11 H new ATOM 0 HB VAL A 377 5.766 -1.316 -7.245 1.00 61.33 H new ATOM 0 HG11 VAL A 377 8.034 -1.287 -8.228 1.00 13.22 H new ATOM 0 HG12 VAL A 377 7.630 0.272 -7.470 1.00 13.22 H new ATOM 0 HG13 VAL A 377 8.713 -0.868 -6.637 1.00 13.22 H new ATOM 0 HG21 VAL A 377 7.094 -3.387 -7.332 1.00 42.33 H new ATOM 0 HG22 VAL A 377 7.751 -3.030 -5.717 1.00 42.33 H new ATOM 0 HG23 VAL A 377 6.014 -3.359 -5.918 1.00 42.33 H new ATOM 330 N PHE A 378 6.766 1.586 -4.916 1.00 74.35 N ATOM 331 CA PHE A 378 6.501 3.001 -4.864 1.00 12.10 C ATOM 332 C PHE A 378 6.417 3.635 -6.238 1.00 42.41 C ATOM 333 O PHE A 378 7.259 3.382 -7.100 1.00 3.20 O ATOM 334 CB PHE A 378 7.539 3.688 -3.991 1.00 41.22 C ATOM 335 CG PHE A 378 7.601 3.118 -2.592 1.00 21.32 C ATOM 336 CD1 PHE A 378 8.454 2.061 -2.295 1.00 21.33 C ATOM 337 CD2 PHE A 378 6.805 3.629 -1.583 1.00 55.24 C ATOM 338 CE1 PHE A 378 8.510 1.531 -1.023 1.00 30.34 C ATOM 339 CE2 PHE A 378 6.857 3.102 -0.306 1.00 31.22 C ATOM 340 CZ PHE A 378 7.710 2.052 -0.028 1.00 53.04 C ATOM 0 H PHE A 378 7.638 1.321 -4.459 1.00 74.35 H new ATOM 0 HA PHE A 378 5.516 3.137 -4.417 1.00 12.10 H new ATOM 0 HB2 PHE A 378 8.519 3.596 -4.459 1.00 41.22 H new ATOM 0 HB3 PHE A 378 7.312 4.753 -3.934 1.00 41.22 H new ATOM 0 HD1 PHE A 378 9.082 1.649 -3.071 1.00 21.33 H new ATOM 0 HD2 PHE A 378 6.135 4.449 -1.795 1.00 55.24 H new ATOM 0 HE1 PHE A 378 9.178 0.711 -0.807 1.00 30.34 H new ATOM 0 HE2 PHE A 378 6.231 3.511 0.473 1.00 31.22 H new ATOM 0 HZ PHE A 378 7.750 1.639 0.969 1.00 53.04 H new ATOM 350 N TYR A 379 5.355 4.439 -6.425 1.00 70.34 N ATOM 351 CA TYR A 379 5.054 5.136 -7.668 1.00 22.33 C ATOM 352 C TYR A 379 4.732 4.171 -8.811 1.00 13.25 C ATOM 353 O TYR A 379 4.726 4.552 -9.985 1.00 64.12 O ATOM 354 CB TYR A 379 6.141 6.165 -8.012 1.00 75.30 C ATOM 355 CG TYR A 379 6.229 7.281 -6.974 1.00 74.42 C ATOM 356 CD1 TYR A 379 7.024 7.150 -5.843 1.00 63.51 C ATOM 357 CD2 TYR A 379 5.499 8.453 -7.122 1.00 25.02 C ATOM 358 CE1 TYR A 379 7.093 8.154 -4.891 1.00 11.34 C ATOM 359 CE2 TYR A 379 5.563 9.466 -6.172 1.00 31.11 C ATOM 360 CZ TYR A 379 6.361 9.308 -5.060 1.00 12.04 C ATOM 361 OH TYR A 379 6.431 10.309 -4.110 1.00 2.52 O ATOM 0 H TYR A 379 4.671 4.620 -5.691 1.00 70.34 H new ATOM 0 HA TYR A 379 4.138 5.707 -7.515 1.00 22.33 H new ATOM 0 HB2 TYR A 379 7.105 5.662 -8.084 1.00 75.30 H new ATOM 0 HB3 TYR A 379 5.933 6.597 -8.991 1.00 75.30 H new ATOM 0 HD1 TYR A 379 7.600 6.247 -5.703 1.00 63.51 H new ATOM 0 HD2 TYR A 379 4.870 8.580 -7.991 1.00 25.02 H new ATOM 0 HE1 TYR A 379 7.719 8.032 -4.019 1.00 11.34 H new ATOM 0 HE2 TYR A 379 4.990 10.372 -6.305 1.00 31.11 H new ATOM 0 HH TYR A 379 7.314 10.295 -3.685 1.00 2.52 H new ATOM 371 N GLU A 380 4.410 2.927 -8.449 1.00 23.04 N ATOM 372 CA GLU A 380 4.008 1.924 -9.409 1.00 34.51 C ATOM 373 C GLU A 380 2.729 1.187 -9.021 1.00 53.13 C ATOM 374 O GLU A 380 1.623 1.600 -9.409 1.00 30.12 O ATOM 375 CB GLU A 380 5.137 0.937 -9.748 1.00 11.13 C ATOM 376 CG GLU A 380 6.244 1.547 -10.574 1.00 74.42 C ATOM 377 CD GLU A 380 7.325 0.575 -10.932 1.00 43.22 C ATOM 378 OE1 GLU A 380 7.192 -0.128 -11.962 1.00 21.22 O ATOM 379 OE2 GLU A 380 8.326 0.502 -10.216 1.00 24.20 O ATOM 0 H GLU A 380 4.424 2.598 -7.484 1.00 23.04 H new ATOM 0 HA GLU A 380 3.781 2.484 -10.316 1.00 34.51 H new ATOM 0 HB2 GLU A 380 5.559 0.548 -8.821 1.00 11.13 H new ATOM 0 HB3 GLU A 380 4.717 0.089 -10.288 1.00 11.13 H new ATOM 0 HG2 GLU A 380 5.819 1.959 -11.489 1.00 74.42 H new ATOM 0 HG3 GLU A 380 6.682 2.379 -10.023 1.00 74.42 H new ATOM 386 N ASN A 381 2.855 0.158 -8.201 1.00 3.24 N ATOM 387 CA ASN A 381 1.731 -0.732 -7.933 1.00 54.42 C ATOM 388 C ASN A 381 1.867 -1.522 -6.623 1.00 4.20 C ATOM 389 O ASN A 381 2.946 -1.599 -6.025 1.00 34.21 O ATOM 390 CB ASN A 381 1.530 -1.673 -9.143 1.00 73.23 C ATOM 391 CG ASN A 381 2.827 -2.369 -9.577 1.00 44.13 C ATOM 392 OD1 ASN A 381 3.699 -2.678 -8.766 1.00 10.22 O ATOM 393 ND2 ASN A 381 2.971 -2.587 -10.858 1.00 31.32 N ATOM 0 H ASN A 381 3.716 -0.084 -7.711 1.00 3.24 H new ATOM 0 HA ASN A 381 0.847 -0.110 -7.795 1.00 54.42 H new ATOM 0 HB2 ASN A 381 0.785 -2.428 -8.891 1.00 73.23 H new ATOM 0 HB3 ASN A 381 1.133 -1.100 -9.981 1.00 73.23 H new ATOM 0 HD21 ASN A 381 3.823 -3.024 -11.208 1.00 31.32 H new ATOM 0 HD22 ASN A 381 2.231 -2.320 -11.507 1.00 31.32 H new ATOM 399 N VAL A 382 0.742 -2.070 -6.182 1.00 33.24 N ATOM 400 CA VAL A 382 0.635 -2.879 -4.970 1.00 52.33 C ATOM 401 C VAL A 382 0.007 -4.217 -5.318 1.00 3.51 C ATOM 402 O VAL A 382 -0.875 -4.283 -6.183 1.00 41.44 O ATOM 403 CB VAL A 382 -0.242 -2.173 -3.870 1.00 21.44 C ATOM 404 CG1 VAL A 382 -0.433 -3.048 -2.631 1.00 65.21 C ATOM 405 CG2 VAL A 382 0.384 -0.880 -3.455 1.00 1.20 C ATOM 0 H VAL A 382 -0.147 -1.962 -6.670 1.00 33.24 H new ATOM 0 HA VAL A 382 1.639 -3.014 -4.568 1.00 52.33 H new ATOM 0 HB VAL A 382 -1.220 -1.994 -4.317 1.00 21.44 H new ATOM 0 HG11 VAL A 382 -1.045 -2.517 -1.901 1.00 65.21 H new ATOM 0 HG12 VAL A 382 -0.930 -3.976 -2.914 1.00 65.21 H new ATOM 0 HG13 VAL A 382 0.539 -3.276 -2.193 1.00 65.21 H new ATOM 0 HG21 VAL A 382 -0.234 -0.404 -2.694 1.00 1.20 H new ATOM 0 HG22 VAL A 382 1.377 -1.071 -3.048 1.00 1.20 H new ATOM 0 HG23 VAL A 382 0.466 -0.221 -4.320 1.00 1.20 H new ATOM 411 N PHE A 383 0.456 -5.265 -4.669 1.00 54.34 N ATOM 412 CA PHE A 383 -0.052 -6.600 -4.892 1.00 53.32 C ATOM 413 C PHE A 383 -0.327 -7.310 -3.586 1.00 62.21 C ATOM 414 O PHE A 383 0.356 -7.083 -2.584 1.00 10.24 O ATOM 415 CB PHE A 383 0.928 -7.448 -5.726 1.00 5.01 C ATOM 416 CG PHE A 383 1.105 -6.975 -7.131 1.00 34.35 C ATOM 417 CD1 PHE A 383 2.018 -5.986 -7.442 1.00 50.44 C ATOM 418 CD2 PHE A 383 0.344 -7.516 -8.139 1.00 13.12 C ATOM 419 CE1 PHE A 383 2.163 -5.552 -8.735 1.00 63.21 C ATOM 420 CE2 PHE A 383 0.482 -7.086 -9.430 1.00 13.51 C ATOM 421 CZ PHE A 383 1.393 -6.103 -9.732 1.00 52.30 C ATOM 0 H PHE A 383 1.192 -5.216 -3.964 1.00 54.34 H new ATOM 0 HA PHE A 383 -0.985 -6.488 -5.445 1.00 53.32 H new ATOM 0 HB2 PHE A 383 1.899 -7.452 -5.231 1.00 5.01 H new ATOM 0 HB3 PHE A 383 0.575 -8.479 -5.744 1.00 5.01 H new ATOM 0 HD1 PHE A 383 2.623 -5.551 -6.660 1.00 50.44 H new ATOM 0 HD2 PHE A 383 -0.372 -8.291 -7.909 1.00 13.12 H new ATOM 0 HE1 PHE A 383 2.880 -4.779 -8.969 1.00 63.21 H new ATOM 0 HE2 PHE A 383 -0.125 -7.519 -10.212 1.00 13.51 H new ATOM 0 HZ PHE A 383 1.504 -5.763 -10.751 1.00 52.30 H new ATOM 431 N GLN A 384 -1.338 -8.136 -3.598 1.00 71.11 N ATOM 432 CA GLN A 384 -1.647 -9.005 -2.502 1.00 25.03 C ATOM 433 C GLN A 384 -1.350 -10.393 -2.997 1.00 23.12 C ATOM 434 O GLN A 384 -2.129 -10.959 -3.772 1.00 0.11 O ATOM 435 CB GLN A 384 -3.118 -8.904 -2.098 1.00 71.22 C ATOM 436 CG GLN A 384 -3.488 -9.703 -0.855 1.00 73.50 C ATOM 437 CD GLN A 384 -4.975 -9.706 -0.592 1.00 61.42 C ATOM 438 OE1 GLN A 384 -5.706 -10.571 -1.075 1.00 42.13 O ATOM 439 NE2 GLN A 384 -5.440 -8.752 0.152 1.00 13.12 N ATOM 0 H GLN A 384 -1.980 -8.223 -4.386 1.00 71.11 H new ATOM 0 HA GLN A 384 -1.064 -8.739 -1.620 1.00 25.03 H new ATOM 0 HB2 GLN A 384 -3.364 -7.856 -1.927 1.00 71.22 H new ATOM 0 HB3 GLN A 384 -3.734 -9.244 -2.930 1.00 71.22 H new ATOM 0 HG2 GLN A 384 -3.140 -10.730 -0.970 1.00 73.50 H new ATOM 0 HG3 GLN A 384 -2.970 -9.286 0.009 1.00 73.50 H new ATOM 0 HE21 GLN A 384 -4.807 -8.051 0.537 1.00 13.12 H new ATOM 0 HE22 GLN A 384 -6.439 -8.702 0.353 1.00 13.12 H new ATOM 447 N ASP A 385 -0.192 -10.884 -2.621 1.00 3.03 N ATOM 448 CA ASP A 385 0.364 -12.175 -3.045 1.00 1.42 C ATOM 449 C ASP A 385 0.826 -12.087 -4.482 1.00 22.15 C ATOM 450 O ASP A 385 2.032 -12.038 -4.772 1.00 51.11 O ATOM 451 CB ASP A 385 -0.630 -13.316 -2.886 1.00 42.31 C ATOM 452 CG ASP A 385 -0.013 -14.657 -3.211 1.00 62.30 C ATOM 453 OD1 ASP A 385 0.719 -15.217 -2.357 1.00 4.12 O ATOM 454 OD2 ASP A 385 -0.232 -15.166 -4.322 1.00 32.13 O ATOM 0 H ASP A 385 0.426 -10.382 -1.983 1.00 3.03 H new ATOM 0 HA ASP A 385 1.211 -12.394 -2.395 1.00 1.42 H new ATOM 0 HB2 ASP A 385 -1.006 -13.329 -1.863 1.00 42.31 H new ATOM 0 HB3 ASP A 385 -1.486 -13.144 -3.538 1.00 42.31 H new ATOM 459 N SER A 386 -0.127 -12.050 -5.361 1.00 60.32 N ATOM 460 CA SER A 386 0.109 -11.885 -6.760 1.00 33.11 C ATOM 461 C SER A 386 -1.075 -11.127 -7.384 1.00 62.41 C ATOM 462 O SER A 386 -1.050 -10.759 -8.566 1.00 61.34 O ATOM 463 CB SER A 386 0.325 -13.257 -7.430 1.00 64.42 C ATOM 464 OG SER A 386 0.720 -13.131 -8.794 1.00 24.31 O ATOM 0 H SER A 386 -1.114 -12.136 -5.119 1.00 60.32 H new ATOM 0 HA SER A 386 1.015 -11.301 -6.919 1.00 33.11 H new ATOM 0 HB2 SER A 386 1.087 -13.812 -6.882 1.00 64.42 H new ATOM 0 HB3 SER A 386 -0.596 -13.837 -7.372 1.00 64.42 H new ATOM 0 HG SER A 386 0.400 -12.276 -9.150 1.00 24.31 H new ATOM 470 N ILE A 387 -2.110 -10.871 -6.569 1.00 21.03 N ATOM 471 CA ILE A 387 -3.275 -10.147 -7.040 1.00 23.44 C ATOM 472 C ILE A 387 -2.933 -8.676 -7.090 1.00 61.34 C ATOM 473 O ILE A 387 -2.356 -8.149 -6.142 1.00 41.54 O ATOM 474 CB ILE A 387 -4.499 -10.347 -6.095 1.00 13.33 C ATOM 475 CG1 ILE A 387 -4.849 -11.837 -5.977 1.00 33.44 C ATOM 476 CG2 ILE A 387 -5.715 -9.552 -6.597 1.00 34.31 C ATOM 477 CD1 ILE A 387 -6.014 -12.118 -5.052 1.00 75.14 C ATOM 0 H ILE A 387 -2.154 -11.157 -5.591 1.00 21.03 H new ATOM 0 HA ILE A 387 -3.544 -10.527 -8.026 1.00 23.44 H new ATOM 0 HB ILE A 387 -4.229 -9.972 -5.108 1.00 13.33 H new ATOM 0 HG12 ILE A 387 -5.082 -12.226 -6.968 1.00 33.44 H new ATOM 0 HG13 ILE A 387 -3.974 -12.379 -5.619 1.00 33.44 H new ATOM 0 HG21 ILE A 387 -6.556 -9.708 -5.921 1.00 34.31 H new ATOM 0 HG22 ILE A 387 -5.468 -8.491 -6.630 1.00 34.31 H new ATOM 0 HG23 ILE A 387 -5.985 -9.893 -7.597 1.00 34.31 H new ATOM 0 HD11 ILE A 387 -6.202 -13.191 -5.020 1.00 75.14 H new ATOM 0 HD12 ILE A 387 -5.777 -11.761 -4.050 1.00 75.14 H new ATOM 0 HD13 ILE A 387 -6.903 -11.605 -5.420 1.00 75.14 H new ATOM 484 N LEU A 388 -3.289 -8.008 -8.163 1.00 34.11 N ATOM 485 CA LEU A 388 -3.007 -6.602 -8.278 1.00 74.02 C ATOM 486 C LEU A 388 -3.978 -5.848 -7.417 1.00 22.12 C ATOM 487 O LEU A 388 -5.185 -5.865 -7.647 1.00 21.43 O ATOM 488 CB LEU A 388 -3.086 -6.133 -9.740 1.00 44.04 C ATOM 489 CG LEU A 388 -2.896 -4.627 -9.984 1.00 21.42 C ATOM 490 CD1 LEU A 388 -1.523 -4.147 -9.546 1.00 33.00 C ATOM 491 CD2 LEU A 388 -3.158 -4.278 -11.432 1.00 5.24 C ATOM 0 H LEU A 388 -3.772 -8.416 -8.963 1.00 34.11 H new ATOM 0 HA LEU A 388 -1.989 -6.409 -7.940 1.00 74.02 H new ATOM 0 HB2 LEU A 388 -2.330 -6.670 -10.313 1.00 44.04 H new ATOM 0 HB3 LEU A 388 -4.057 -6.425 -10.141 1.00 44.04 H new ATOM 0 HG LEU A 388 -3.628 -4.105 -9.368 1.00 21.42 H new ATOM 0 HD11 LEU A 388 -1.433 -3.078 -9.737 1.00 33.00 H new ATOM 0 HD12 LEU A 388 -1.394 -4.337 -8.481 1.00 33.00 H new ATOM 0 HD13 LEU A 388 -0.755 -4.681 -10.106 1.00 33.00 H new ATOM 0 HD21 LEU A 388 -3.017 -3.207 -11.579 1.00 5.24 H new ATOM 0 HD22 LEU A 388 -2.465 -4.826 -12.070 1.00 5.24 H new ATOM 0 HD23 LEU A 388 -4.181 -4.549 -11.692 1.00 5.24 H new ATOM 499 N LEU A 389 -3.461 -5.235 -6.407 1.00 42.41 N ATOM 500 CA LEU A 389 -4.231 -4.559 -5.478 1.00 35.10 C ATOM 501 C LEU A 389 -4.581 -3.201 -6.047 1.00 15.34 C ATOM 502 O LEU A 389 -5.728 -2.918 -6.295 1.00 53.21 O ATOM 503 CB LEU A 389 -3.383 -4.436 -4.250 1.00 61.52 C ATOM 504 CG LEU A 389 -4.051 -4.230 -2.929 1.00 51.22 C ATOM 505 CD1 LEU A 389 -4.904 -2.986 -2.869 1.00 64.04 C ATOM 506 CD2 LEU A 389 -4.803 -5.463 -2.503 1.00 31.41 C ATOM 0 H LEU A 389 -2.459 -5.203 -6.219 1.00 42.41 H new ATOM 0 HA LEU A 389 -5.163 -5.072 -5.240 1.00 35.10 H new ATOM 0 HB2 LEU A 389 -2.777 -5.339 -4.176 1.00 61.52 H new ATOM 0 HB3 LEU A 389 -2.696 -3.604 -4.406 1.00 61.52 H new ATOM 0 HG LEU A 389 -3.254 -4.059 -2.205 1.00 51.22 H new ATOM 0 HD11 LEU A 389 -5.357 -2.903 -1.881 1.00 64.04 H new ATOM 0 HD12 LEU A 389 -4.284 -2.110 -3.059 1.00 64.04 H new ATOM 0 HD13 LEU A 389 -5.688 -3.046 -3.623 1.00 64.04 H new ATOM 0 HD21 LEU A 389 -5.279 -5.284 -1.539 1.00 31.41 H new ATOM 0 HD22 LEU A 389 -5.565 -5.699 -3.246 1.00 31.41 H new ATOM 0 HD23 LEU A 389 -4.110 -6.300 -2.416 1.00 31.41 H new ATOM 514 N GLY A 390 -3.592 -2.384 -6.277 1.00 43.21 N ATOM 515 CA GLY A 390 -3.869 -1.098 -6.792 1.00 64.22 C ATOM 516 C GLY A 390 -2.683 -0.509 -7.434 1.00 60.42 C ATOM 517 O GLY A 390 -1.559 -0.945 -7.190 1.00 42.35 O ATOM 0 H GLY A 390 -2.607 -2.592 -6.115 1.00 43.21 H new ATOM 0 HA2 GLY A 390 -4.682 -1.162 -7.515 1.00 64.22 H new ATOM 0 HA3 GLY A 390 -4.209 -0.447 -5.986 1.00 64.22 H new ATOM 521 N ASN A 391 -2.915 0.447 -8.253 1.00 72.12 N ATOM 522 CA ASN A 391 -1.872 1.174 -8.897 1.00 31.10 C ATOM 523 C ASN A 391 -1.843 2.531 -8.287 1.00 30.34 C ATOM 524 O ASN A 391 -2.883 3.050 -7.890 1.00 34.02 O ATOM 525 CB ASN A 391 -2.120 1.284 -10.401 1.00 23.31 C ATOM 526 CG ASN A 391 -2.150 -0.060 -11.102 1.00 12.30 C ATOM 527 OD1 ASN A 391 -3.323 -0.634 -11.218 1.00 42.30 O flip ATOM 528 ND2 ASN A 391 -1.121 -0.573 -11.545 1.00 32.04 N flip ATOM 0 H ASN A 391 -3.853 0.758 -8.504 1.00 72.12 H new ATOM 0 HA ASN A 391 -0.921 0.659 -8.764 1.00 31.10 H new ATOM 0 HB2 ASN A 391 -3.068 1.796 -10.570 1.00 23.31 H new ATOM 0 HB3 ASN A 391 -1.340 1.902 -10.847 1.00 23.31 H new ATOM 0 HD21 ASN A 391 -0.226 -0.096 -11.436 1.00 32.04 H new ATOM 0 HD22 ASN A 391 -1.164 -1.474 -12.021 1.00 32.04 H new ATOM 534 N PHE A 392 -0.695 3.100 -8.187 1.00 23.52 N ATOM 535 CA PHE A 392 -0.551 4.389 -7.543 1.00 71.00 C ATOM 536 C PHE A 392 -1.199 5.472 -8.372 1.00 41.44 C ATOM 537 O PHE A 392 -0.915 5.605 -9.566 1.00 34.21 O ATOM 538 CB PHE A 392 0.924 4.708 -7.283 1.00 65.50 C ATOM 539 CG PHE A 392 1.601 3.832 -6.249 1.00 72.20 C ATOM 540 CD1 PHE A 392 1.393 2.464 -6.210 1.00 63.52 C ATOM 541 CD2 PHE A 392 2.473 4.384 -5.341 1.00 30.52 C ATOM 542 CE1 PHE A 392 2.035 1.680 -5.293 1.00 45.15 C ATOM 543 CE2 PHE A 392 3.118 3.603 -4.413 1.00 72.32 C ATOM 544 CZ PHE A 392 2.899 2.250 -4.391 1.00 53.12 C ATOM 0 H PHE A 392 0.175 2.702 -8.541 1.00 23.52 H new ATOM 0 HA PHE A 392 -1.059 4.348 -6.580 1.00 71.00 H new ATOM 0 HB2 PHE A 392 1.469 4.621 -8.223 1.00 65.50 H new ATOM 0 HB3 PHE A 392 1.004 5.747 -6.964 1.00 65.50 H new ATOM 0 HD1 PHE A 392 0.713 2.009 -6.915 1.00 63.52 H new ATOM 0 HD2 PHE A 392 2.654 5.449 -5.357 1.00 30.52 H new ATOM 0 HE1 PHE A 392 1.863 0.614 -5.278 1.00 45.15 H new ATOM 0 HE2 PHE A 392 3.796 4.054 -3.703 1.00 72.32 H new ATOM 0 HZ PHE A 392 3.406 1.633 -3.664 1.00 53.12 H new ATOM 554 N ALA A 393 -2.086 6.220 -7.761 1.00 72.15 N ATOM 555 CA ALA A 393 -2.756 7.293 -8.452 1.00 73.23 C ATOM 556 C ALA A 393 -2.113 8.617 -8.097 1.00 5.05 C ATOM 557 O ALA A 393 -1.761 9.406 -8.975 1.00 63.15 O ATOM 558 CB ALA A 393 -4.235 7.306 -8.093 1.00 40.43 C ATOM 0 H ALA A 393 -2.360 6.105 -6.785 1.00 72.15 H new ATOM 0 HA ALA A 393 -2.663 7.136 -9.527 1.00 73.23 H new ATOM 0 HB1 ALA A 393 -4.730 8.121 -8.621 1.00 40.43 H new ATOM 0 HB2 ALA A 393 -4.688 6.358 -8.382 1.00 40.43 H new ATOM 0 HB3 ALA A 393 -4.347 7.449 -7.018 1.00 40.43 H new ATOM 564 N SER A 394 -1.917 8.829 -6.817 1.00 40.33 N ATOM 565 CA SER A 394 -1.322 10.040 -6.319 1.00 31.21 C ATOM 566 C SER A 394 -0.879 9.833 -4.887 1.00 41.43 C ATOM 567 O SER A 394 -1.307 8.866 -4.227 1.00 44.12 O ATOM 568 CB SER A 394 -2.329 11.194 -6.418 1.00 4.02 C ATOM 569 OG SER A 394 -3.560 10.864 -5.771 1.00 73.11 O ATOM 0 H SER A 394 -2.169 8.160 -6.090 1.00 40.33 H new ATOM 0 HA SER A 394 -0.449 10.295 -6.920 1.00 31.21 H new ATOM 0 HB2 SER A 394 -1.905 12.090 -5.964 1.00 4.02 H new ATOM 0 HB3 SER A 394 -2.517 11.427 -7.466 1.00 4.02 H new ATOM 0 HG SER A 394 -4.182 11.617 -5.848 1.00 73.11 H new ATOM 575 N GLN A 395 -0.010 10.690 -4.411 1.00 4.11 N ATOM 576 CA GLN A 395 0.453 10.613 -3.059 1.00 65.42 C ATOM 577 C GLN A 395 0.289 11.962 -2.409 1.00 14.31 C ATOM 578 O GLN A 395 0.822 12.954 -2.906 1.00 5.32 O ATOM 579 CB GLN A 395 1.948 10.227 -2.963 1.00 3.31 C ATOM 580 CG GLN A 395 2.399 8.907 -3.642 1.00 12.41 C ATOM 581 CD GLN A 395 2.319 8.895 -5.158 1.00 34.31 C ATOM 582 OE1 GLN A 395 2.447 9.924 -5.810 1.00 31.32 O ATOM 583 NE2 GLN A 395 2.146 7.727 -5.722 1.00 2.20 N ATOM 0 H GLN A 395 0.392 11.456 -4.952 1.00 4.11 H new ATOM 0 HA GLN A 395 -0.135 9.842 -2.562 1.00 65.42 H new ATOM 0 HB2 GLN A 395 2.532 11.041 -3.392 1.00 3.31 H new ATOM 0 HB3 GLN A 395 2.211 10.168 -1.907 1.00 3.31 H new ATOM 0 HG2 GLN A 395 3.428 8.700 -3.348 1.00 12.41 H new ATOM 0 HG3 GLN A 395 1.787 8.092 -3.256 1.00 12.41 H new ATOM 0 HE21 GLN A 395 2.043 6.892 -5.145 1.00 2.20 H new ATOM 0 HE22 GLN A 395 2.114 7.651 -6.739 1.00 2.20 H new ATOM 591 N GLU A 396 -0.435 12.009 -1.333 1.00 73.25 N ATOM 592 CA GLU A 396 -0.569 13.217 -0.575 1.00 12.24 C ATOM 593 C GLU A 396 0.400 13.172 0.555 1.00 74.41 C ATOM 594 O GLU A 396 0.211 12.393 1.485 1.00 62.04 O ATOM 595 CB GLU A 396 -1.965 13.369 0.014 1.00 1.15 C ATOM 596 CG GLU A 396 -2.077 14.570 0.949 1.00 32.31 C ATOM 597 CD GLU A 396 -1.892 15.889 0.235 1.00 43.13 C ATOM 598 OE1 GLU A 396 -2.836 16.353 -0.435 1.00 73.04 O ATOM 599 OE2 GLU A 396 -0.796 16.466 0.305 1.00 12.23 O ATOM 0 H GLU A 396 -0.949 11.213 -0.955 1.00 73.25 H new ATOM 0 HA GLU A 396 -0.382 14.057 -1.244 1.00 12.24 H new ATOM 0 HB2 GLU A 396 -2.688 13.474 -0.795 1.00 1.15 H new ATOM 0 HB3 GLU A 396 -2.226 12.462 0.559 1.00 1.15 H new ATOM 0 HG2 GLU A 396 -3.054 14.558 1.433 1.00 32.31 H new ATOM 0 HG3 GLU A 396 -1.330 14.481 1.738 1.00 32.31 H new ATOM 606 N GLY A 397 1.416 13.997 0.487 1.00 21.31 N ATOM 607 CA GLY A 397 2.398 14.053 1.533 1.00 74.24 C ATOM 608 C GLY A 397 3.024 12.707 1.807 1.00 20.11 C ATOM 609 O GLY A 397 3.863 12.238 1.058 1.00 34.12 O ATOM 0 H GLY A 397 1.582 14.640 -0.287 1.00 21.31 H new ATOM 0 HA2 GLY A 397 3.177 14.764 1.258 1.00 74.24 H new ATOM 0 HA3 GLY A 397 1.933 14.427 2.445 1.00 74.24 H new ATOM 613 N ASN A 398 2.558 12.074 2.850 1.00 30.43 N ATOM 614 CA ASN A 398 3.115 10.801 3.301 1.00 11.21 C ATOM 615 C ASN A 398 2.011 9.747 3.335 1.00 60.22 C ATOM 616 O ASN A 398 2.138 8.687 3.957 1.00 3.35 O ATOM 617 CB ASN A 398 3.772 10.986 4.688 1.00 60.14 C ATOM 618 CG ASN A 398 2.790 11.339 5.802 1.00 65.33 C ATOM 619 OD1 ASN A 398 2.422 12.495 5.974 1.00 23.43 O ATOM 620 ND2 ASN A 398 2.434 10.377 6.601 1.00 51.14 N ATOM 0 H ASN A 398 1.783 12.415 3.419 1.00 30.43 H new ATOM 0 HA ASN A 398 3.885 10.460 2.609 1.00 11.21 H new ATOM 0 HB2 ASN A 398 4.294 10.067 4.956 1.00 60.14 H new ATOM 0 HB3 ASN A 398 4.525 11.772 4.620 1.00 60.14 H new ATOM 0 HD21 ASN A 398 1.831 10.574 7.399 1.00 51.14 H new ATOM 0 HD22 ASN A 398 2.758 9.425 6.429 1.00 51.14 H new ATOM 626 N VAL A 399 0.949 10.034 2.615 1.00 4.25 N ATOM 627 CA VAL A 399 -0.211 9.171 2.531 1.00 2.02 C ATOM 628 C VAL A 399 -0.440 8.854 1.063 1.00 62.45 C ATOM 629 O VAL A 399 -0.714 9.740 0.256 1.00 2.25 O ATOM 630 CB VAL A 399 -1.469 9.850 3.147 1.00 52.04 C ATOM 631 CG1 VAL A 399 -2.682 8.944 3.047 1.00 53.53 C ATOM 632 CG2 VAL A 399 -1.210 10.236 4.603 1.00 0.43 C ATOM 0 H VAL A 399 0.865 10.887 2.062 1.00 4.25 H new ATOM 0 HA VAL A 399 -0.036 8.258 3.100 1.00 2.02 H new ATOM 0 HB VAL A 399 -1.676 10.756 2.577 1.00 52.04 H new ATOM 0 HG11 VAL A 399 -3.546 9.443 3.485 1.00 53.53 H new ATOM 0 HG12 VAL A 399 -2.884 8.721 1.999 1.00 53.53 H new ATOM 0 HG13 VAL A 399 -2.488 8.016 3.585 1.00 53.53 H new ATOM 0 HG21 VAL A 399 -2.100 10.709 5.018 1.00 0.43 H new ATOM 0 HG22 VAL A 399 -0.972 9.342 5.180 1.00 0.43 H new ATOM 0 HG23 VAL A 399 -0.373 10.932 4.651 1.00 0.43 H new ATOM 638 N LEU A 400 -0.331 7.616 0.723 1.00 50.41 N ATOM 639 CA LEU A 400 -0.303 7.225 -0.654 1.00 54.12 C ATOM 640 C LEU A 400 -1.629 6.543 -1.060 1.00 73.23 C ATOM 641 O LEU A 400 -2.126 5.664 -0.345 1.00 35.54 O ATOM 642 CB LEU A 400 0.873 6.249 -0.858 1.00 52.52 C ATOM 643 CG LEU A 400 2.227 6.581 -0.144 1.00 52.10 C ATOM 644 CD1 LEU A 400 3.310 5.593 -0.529 1.00 41.20 C ATOM 645 CD2 LEU A 400 2.699 8.001 -0.393 1.00 73.14 C ATOM 0 H LEU A 400 -0.259 6.844 1.386 1.00 50.41 H new ATOM 0 HA LEU A 400 -0.176 8.109 -1.279 1.00 54.12 H new ATOM 0 HB2 LEU A 400 0.551 5.262 -0.525 1.00 52.52 H new ATOM 0 HB3 LEU A 400 1.067 6.177 -1.928 1.00 52.52 H new ATOM 0 HG LEU A 400 2.030 6.493 0.924 1.00 52.10 H new ATOM 0 HD11 LEU A 400 4.237 5.851 -0.017 1.00 41.20 H new ATOM 0 HD12 LEU A 400 3.004 4.587 -0.241 1.00 41.20 H new ATOM 0 HD13 LEU A 400 3.469 5.629 -1.607 1.00 41.20 H new ATOM 0 HD21 LEU A 400 3.641 8.168 0.129 1.00 73.14 H new ATOM 0 HD22 LEU A 400 2.844 8.154 -1.462 1.00 73.14 H new ATOM 0 HD23 LEU A 400 1.951 8.703 -0.024 1.00 73.14 H new ATOM 653 N LYS A 401 -2.195 6.958 -2.195 1.00 10.02 N ATOM 654 CA LYS A 401 -3.420 6.350 -2.732 1.00 33.40 C ATOM 655 C LYS A 401 -3.152 5.431 -3.892 1.00 30.03 C ATOM 656 O LYS A 401 -2.569 5.837 -4.917 1.00 35.15 O ATOM 657 CB LYS A 401 -4.461 7.382 -3.153 1.00 55.13 C ATOM 658 CG LYS A 401 -5.374 7.870 -2.057 1.00 24.33 C ATOM 659 CD LYS A 401 -6.201 6.715 -1.488 1.00 73.02 C ATOM 660 CE LYS A 401 -7.339 7.222 -0.622 1.00 41.23 C ATOM 661 NZ LYS A 401 -8.317 8.010 -1.406 1.00 40.34 N ATOM 0 H LYS A 401 -1.824 7.718 -2.765 1.00 10.02 H new ATOM 0 HA LYS A 401 -3.821 5.767 -1.903 1.00 33.40 H new ATOM 0 HB2 LYS A 401 -3.943 8.241 -3.579 1.00 55.13 H new ATOM 0 HB3 LYS A 401 -5.072 6.952 -3.946 1.00 55.13 H new ATOM 0 HG2 LYS A 401 -4.784 8.328 -1.263 1.00 24.33 H new ATOM 0 HG3 LYS A 401 -6.038 8.642 -2.446 1.00 24.33 H new ATOM 0 HD2 LYS A 401 -6.603 6.116 -2.305 1.00 73.02 H new ATOM 0 HD3 LYS A 401 -5.558 6.061 -0.900 1.00 73.02 H new ATOM 0 HE2 LYS A 401 -7.844 6.377 -0.154 1.00 41.23 H new ATOM 0 HE3 LYS A 401 -6.937 7.838 0.182 1.00 41.23 H new ATOM 0 HZ1 LYS A 401 -9.221 8.051 -0.893 1.00 40.34 H new ATOM 0 HZ2 LYS A 401 -7.954 8.975 -1.545 1.00 40.34 H new ATOM 0 HZ3 LYS A 401 -8.464 7.559 -2.331 1.00 40.34 H new ATOM 675 N TYR A 402 -3.576 4.202 -3.743 1.00 52.02 N ATOM 676 CA TYR A 402 -3.450 3.223 -4.797 1.00 73.50 C ATOM 677 C TYR A 402 -4.851 2.787 -5.166 1.00 25.11 C ATOM 678 O TYR A 402 -5.655 2.505 -4.284 1.00 74.22 O ATOM 679 CB TYR A 402 -2.675 1.994 -4.319 1.00 73.24 C ATOM 680 CG TYR A 402 -1.568 2.289 -3.344 1.00 62.03 C ATOM 681 CD1 TYR A 402 -0.605 3.222 -3.618 1.00 13.10 C ATOM 682 CD2 TYR A 402 -1.493 1.611 -2.145 1.00 44.03 C ATOM 683 CE1 TYR A 402 0.400 3.473 -2.730 1.00 1.31 C ATOM 684 CE2 TYR A 402 -0.485 1.862 -1.255 1.00 24.15 C ATOM 685 CZ TYR A 402 0.456 2.791 -1.555 1.00 62.00 C ATOM 686 OH TYR A 402 1.470 3.039 -0.677 1.00 14.50 O ATOM 0 H TYR A 402 -4.017 3.851 -2.893 1.00 52.02 H new ATOM 0 HA TYR A 402 -2.915 3.660 -5.640 1.00 73.50 H new ATOM 0 HB2 TYR A 402 -3.374 1.299 -3.855 1.00 73.24 H new ATOM 0 HB3 TYR A 402 -2.251 1.488 -5.187 1.00 73.24 H new ATOM 0 HD1 TYR A 402 -0.641 3.767 -4.550 1.00 13.10 H new ATOM 0 HD2 TYR A 402 -2.242 0.871 -1.905 1.00 44.03 H new ATOM 0 HE1 TYR A 402 1.151 4.214 -2.960 1.00 1.31 H new ATOM 0 HE2 TYR A 402 -0.439 1.324 -0.320 1.00 24.15 H new ATOM 0 HH TYR A 402 2.312 2.697 -1.044 1.00 14.50 H new ATOM 696 N GLU A 403 -5.159 2.751 -6.424 1.00 42.45 N ATOM 697 CA GLU A 403 -6.472 2.349 -6.865 1.00 72.21 C ATOM 698 C GLU A 403 -6.442 1.655 -8.168 1.00 55.15 C ATOM 699 O GLU A 403 -5.385 1.519 -8.798 1.00 32.43 O ATOM 700 CB GLU A 403 -7.436 3.528 -6.943 1.00 45.24 C ATOM 701 CG GLU A 403 -6.878 4.738 -7.648 1.00 30.20 C ATOM 702 CD GLU A 403 -7.873 5.843 -7.724 1.00 13.12 C ATOM 703 OE1 GLU A 403 -8.306 6.337 -6.664 1.00 14.45 O ATOM 704 OE2 GLU A 403 -8.231 6.252 -8.843 1.00 73.40 O ATOM 0 H GLU A 403 -4.516 2.997 -7.177 1.00 42.45 H new ATOM 0 HA GLU A 403 -6.831 1.649 -6.110 1.00 72.21 H new ATOM 0 HB2 GLU A 403 -8.342 3.208 -7.457 1.00 45.24 H new ATOM 0 HB3 GLU A 403 -7.726 3.813 -5.932 1.00 45.24 H new ATOM 0 HG2 GLU A 403 -5.988 5.086 -7.123 1.00 30.20 H new ATOM 0 HG3 GLU A 403 -6.566 4.460 -8.655 1.00 30.20 H new ATOM 711 N ASN A 404 -7.607 1.186 -8.542 1.00 15.41 N ATOM 712 CA ASN A 404 -7.882 0.657 -9.843 1.00 45.34 C ATOM 713 C ASN A 404 -7.023 -0.550 -10.151 1.00 73.12 C ATOM 714 O ASN A 404 -6.536 -0.724 -11.266 1.00 2.43 O ATOM 715 CB ASN A 404 -7.709 1.770 -10.860 1.00 12.11 C ATOM 716 CG ASN A 404 -8.767 1.718 -11.904 1.00 32.54 C ATOM 717 OD1 ASN A 404 -8.593 1.149 -12.982 1.00 4.20 O ATOM 718 ND2 ASN A 404 -9.914 2.254 -11.552 1.00 63.23 N ATOM 0 H ASN A 404 -8.416 1.164 -7.921 1.00 15.41 H new ATOM 0 HA ASN A 404 -8.910 0.298 -9.885 1.00 45.34 H new ATOM 0 HB2 ASN A 404 -7.741 2.735 -10.355 1.00 12.11 H new ATOM 0 HB3 ASN A 404 -6.728 1.688 -11.329 1.00 12.11 H new ATOM 0 HD21 ASN A 404 -10.713 2.210 -12.184 1.00 63.23 H new ATOM 0 HD22 ASN A 404 -10.005 2.714 -10.646 1.00 63.23 H new ATOM 724 N GLY A 405 -6.866 -1.397 -9.150 1.00 72.31 N ATOM 725 CA GLY A 405 -6.132 -2.628 -9.313 1.00 34.33 C ATOM 726 C GLY A 405 -6.939 -3.700 -10.036 1.00 12.42 C ATOM 727 O GLY A 405 -7.592 -3.430 -11.059 1.00 42.23 O ATOM 0 H GLY A 405 -7.241 -1.249 -8.213 1.00 72.31 H new ATOM 0 HA2 GLY A 405 -5.217 -2.430 -9.870 1.00 34.33 H new ATOM 0 HA3 GLY A 405 -5.834 -3.002 -8.333 1.00 34.33 H new ATOM 731 N GLN A 406 -6.934 -4.893 -9.512 1.00 50.54 N ATOM 732 CA GLN A 406 -7.619 -5.989 -10.154 1.00 32.22 C ATOM 733 C GLN A 406 -9.090 -5.957 -9.728 1.00 12.34 C ATOM 734 O GLN A 406 -9.405 -5.586 -8.588 1.00 72.32 O ATOM 735 CB GLN A 406 -6.884 -7.333 -9.833 1.00 30.41 C ATOM 736 CG GLN A 406 -7.267 -8.546 -10.696 1.00 72.11 C ATOM 737 CD GLN A 406 -8.575 -9.196 -10.342 1.00 75.02 C ATOM 738 OE1 GLN A 406 -8.880 -9.261 -9.080 1.00 21.41 O flip ATOM 739 NE2 GLN A 406 -9.272 -9.712 -11.208 1.00 22.13 N flip ATOM 0 H GLN A 406 -6.463 -5.136 -8.640 1.00 50.54 H new ATOM 0 HA GLN A 406 -7.600 -5.897 -11.240 1.00 32.22 H new ATOM 0 HB2 GLN A 406 -5.811 -7.168 -9.933 1.00 30.41 H new ATOM 0 HB3 GLN A 406 -7.072 -7.584 -8.789 1.00 30.41 H new ATOM 0 HG2 GLN A 406 -7.306 -8.232 -11.739 1.00 72.11 H new ATOM 0 HG3 GLN A 406 -6.476 -9.292 -10.617 1.00 72.11 H new ATOM 0 HE21 GLN A 406 -9.002 -9.641 -12.189 1.00 22.13 H new ATOM 0 HE22 GLN A 406 -10.122 -10.212 -10.948 1.00 22.13 H new ATOM 747 N SER A 407 -9.963 -6.268 -10.661 1.00 41.02 N ATOM 748 CA SER A 407 -11.401 -6.224 -10.466 1.00 63.13 C ATOM 749 C SER A 407 -11.863 -7.169 -9.360 1.00 0.11 C ATOM 750 O SER A 407 -11.465 -8.325 -9.289 1.00 63.53 O ATOM 751 CB SER A 407 -12.090 -6.566 -11.785 1.00 25.23 C ATOM 752 OG SER A 407 -13.497 -6.520 -11.679 1.00 23.12 O ATOM 0 H SER A 407 -9.690 -6.565 -11.598 1.00 41.02 H new ATOM 0 HA SER A 407 -11.674 -5.217 -10.151 1.00 63.13 H new ATOM 0 HB2 SER A 407 -11.762 -5.868 -12.556 1.00 25.23 H new ATOM 0 HB3 SER A 407 -11.784 -7.562 -12.105 1.00 25.23 H new ATOM 0 HG SER A 407 -13.898 -6.743 -12.545 1.00 23.12 H new ATOM 758 N CYS A 408 -12.680 -6.665 -8.503 1.00 75.32 N ATOM 759 CA CYS A 408 -13.226 -7.432 -7.426 1.00 10.30 C ATOM 760 C CYS A 408 -14.710 -7.700 -7.671 1.00 23.53 C ATOM 761 O CYS A 408 -15.336 -7.016 -8.467 1.00 22.41 O ATOM 762 CB CYS A 408 -12.963 -6.705 -6.108 1.00 32.42 C ATOM 763 SG CYS A 408 -13.389 -4.938 -6.141 1.00 60.03 S ATOM 0 H CYS A 408 -12.996 -5.695 -8.526 1.00 75.32 H new ATOM 0 HA CYS A 408 -12.740 -8.406 -7.367 1.00 10.30 H new ATOM 0 HB2 CYS A 408 -13.533 -7.191 -5.317 1.00 32.42 H new ATOM 0 HB3 CYS A 408 -11.909 -6.809 -5.851 1.00 32.42 H new ATOM 768 N TRP A 409 -15.259 -8.719 -7.040 1.00 12.12 N ATOM 769 CA TRP A 409 -16.678 -9.046 -7.213 1.00 43.10 C ATOM 770 C TRP A 409 -17.515 -8.016 -6.443 1.00 12.55 C ATOM 771 O TRP A 409 -18.650 -7.684 -6.808 1.00 15.14 O ATOM 772 CB TRP A 409 -16.965 -10.482 -6.664 1.00 12.11 C ATOM 773 CG TRP A 409 -17.058 -10.570 -5.174 1.00 13.04 C ATOM 774 CD1 TRP A 409 -16.072 -10.831 -4.295 1.00 4.24 C ATOM 775 CD2 TRP A 409 -18.240 -10.373 -4.412 1.00 4.14 C ATOM 776 NE1 TRP A 409 -16.566 -10.791 -3.011 1.00 64.10 N ATOM 777 CE2 TRP A 409 -17.908 -10.512 -3.068 1.00 60.05 C ATOM 778 CE3 TRP A 409 -19.550 -10.083 -4.765 1.00 72.03 C ATOM 779 CZ2 TRP A 409 -18.848 -10.368 -2.056 1.00 15.12 C ATOM 780 CZ3 TRP A 409 -20.492 -9.939 -3.769 1.00 0.51 C ATOM 781 CH2 TRP A 409 -20.135 -10.080 -2.424 1.00 54.20 C ATOM 0 H TRP A 409 -14.755 -9.337 -6.404 1.00 12.12 H new ATOM 0 HA TRP A 409 -16.938 -9.020 -8.271 1.00 43.10 H new ATOM 0 HB2 TRP A 409 -17.899 -10.842 -7.095 1.00 12.11 H new ATOM 0 HB3 TRP A 409 -16.177 -11.152 -7.006 1.00 12.11 H new ATOM 0 HD1 TRP A 409 -15.046 -11.041 -4.558 1.00 4.24 H new ATOM 0 HE1 TRP A 409 -16.025 -10.943 -2.160 1.00 64.10 H new ATOM 0 HE3 TRP A 409 -19.827 -9.972 -5.803 1.00 72.03 H new ATOM 0 HZ2 TRP A 409 -18.574 -10.479 -1.017 1.00 15.12 H new ATOM 0 HZ3 TRP A 409 -21.516 -9.715 -4.030 1.00 0.51 H new ATOM 0 HH2 TRP A 409 -20.889 -9.959 -1.661 1.00 54.20 H new ATOM 792 N ASN A 410 -16.909 -7.511 -5.400 1.00 33.20 N ATOM 793 CA ASN A 410 -17.516 -6.634 -4.437 1.00 24.25 C ATOM 794 C ASN A 410 -17.249 -5.154 -4.719 1.00 44.51 C ATOM 795 O ASN A 410 -17.517 -4.303 -3.884 1.00 63.24 O ATOM 796 CB ASN A 410 -17.067 -7.052 -3.000 1.00 60.35 C ATOM 797 CG ASN A 410 -15.545 -7.232 -2.809 1.00 23.33 C ATOM 798 OD1 ASN A 410 -14.802 -7.569 -3.743 1.00 43.30 O ATOM 799 ND2 ASN A 410 -15.091 -7.091 -1.596 1.00 34.12 N ATOM 0 H ASN A 410 -15.931 -7.711 -5.190 1.00 33.20 H new ATOM 0 HA ASN A 410 -18.598 -6.743 -4.517 1.00 24.25 H new ATOM 0 HB2 ASN A 410 -17.418 -6.299 -2.294 1.00 60.35 H new ATOM 0 HB3 ASN A 410 -17.562 -7.988 -2.741 1.00 60.35 H new ATOM 0 HD21 ASN A 410 -14.105 -7.259 -1.398 1.00 34.12 H new ATOM 0 HD22 ASN A 410 -15.722 -6.813 -0.844 1.00 34.12 H new ATOM 805 N GLY A 411 -16.759 -4.857 -5.909 1.00 25.01 N ATOM 806 CA GLY A 411 -16.478 -3.489 -6.294 1.00 12.30 C ATOM 807 C GLY A 411 -15.992 -3.438 -7.723 1.00 71.23 C ATOM 808 O GLY A 411 -16.119 -4.424 -8.431 1.00 63.05 O ATOM 0 H GLY A 411 -16.547 -5.550 -6.627 1.00 25.01 H new ATOM 0 HA2 GLY A 411 -17.376 -2.881 -6.186 1.00 12.30 H new ATOM 0 HA3 GLY A 411 -15.724 -3.064 -5.631 1.00 12.30 H new ATOM 812 N PRO A 412 -15.437 -2.315 -8.192 1.00 14.13 N ATOM 813 CA PRO A 412 -14.949 -2.224 -9.560 1.00 34.22 C ATOM 814 C PRO A 412 -13.488 -2.699 -9.698 1.00 50.04 C ATOM 815 O PRO A 412 -13.129 -3.376 -10.654 1.00 11.41 O ATOM 816 CB PRO A 412 -15.061 -0.726 -9.852 1.00 42.13 C ATOM 817 CG PRO A 412 -14.863 -0.050 -8.523 1.00 64.11 C ATOM 818 CD PRO A 412 -15.273 -1.046 -7.451 1.00 1.03 C ATOM 0 HA PRO A 412 -15.510 -2.858 -10.247 1.00 34.22 H new ATOM 0 HB2 PRO A 412 -14.307 -0.408 -10.572 1.00 42.13 H new ATOM 0 HB3 PRO A 412 -16.033 -0.479 -10.278 1.00 42.13 H new ATOM 0 HG2 PRO A 412 -13.823 0.249 -8.394 1.00 64.11 H new ATOM 0 HG3 PRO A 412 -15.465 0.856 -8.458 1.00 64.11 H new ATOM 0 HD2 PRO A 412 -14.514 -1.132 -6.674 1.00 1.03 H new ATOM 0 HD3 PRO A 412 -16.199 -0.747 -6.960 1.00 1.03 H new ATOM 826 N HIS A 413 -12.668 -2.354 -8.720 1.00 35.32 N ATOM 827 CA HIS A 413 -11.253 -2.687 -8.676 1.00 22.44 C ATOM 828 C HIS A 413 -10.815 -2.570 -7.249 1.00 24.13 C ATOM 829 O HIS A 413 -11.483 -1.883 -6.453 1.00 73.23 O ATOM 830 CB HIS A 413 -10.383 -1.682 -9.471 1.00 62.13 C ATOM 831 CG HIS A 413 -10.630 -1.577 -10.938 1.00 22.12 C ATOM 832 ND1 HIS A 413 -10.103 -2.446 -11.853 1.00 55.10 N ATOM 833 CD2 HIS A 413 -11.350 -0.683 -11.647 1.00 30.34 C ATOM 834 CE1 HIS A 413 -10.488 -2.101 -13.050 1.00 1.31 C ATOM 835 NE2 HIS A 413 -11.247 -1.034 -12.960 1.00 42.02 N ATOM 0 H HIS A 413 -12.977 -1.818 -7.909 1.00 35.32 H new ATOM 0 HA HIS A 413 -11.129 -3.682 -9.102 1.00 22.44 H new ATOM 0 HB2 HIS A 413 -10.524 -0.694 -9.033 1.00 62.13 H new ATOM 0 HB3 HIS A 413 -9.337 -1.950 -9.323 1.00 62.13 H new ATOM 0 HD1 HIS A 413 -9.502 -3.240 -11.633 1.00 55.10 H new ATOM 0 HD2 HIS A 413 -11.904 0.154 -11.249 1.00 30.34 H new ATOM 0 HE1 HIS A 413 -10.225 -2.610 -13.966 1.00 1.31 H new ATOM 844 N ARG A 414 -9.734 -3.222 -6.905 1.00 54.32 N ATOM 845 CA ARG A 414 -9.161 -3.031 -5.603 1.00 31.22 C ATOM 846 C ARG A 414 -8.404 -1.725 -5.530 1.00 31.43 C ATOM 847 O ARG A 414 -8.048 -1.123 -6.563 1.00 34.42 O ATOM 848 CB ARG A 414 -8.276 -4.186 -5.157 1.00 53.21 C ATOM 849 CG ARG A 414 -9.024 -5.443 -4.806 1.00 20.24 C ATOM 850 CD ARG A 414 -8.070 -6.560 -4.429 1.00 25.01 C ATOM 851 NE ARG A 414 -8.760 -7.828 -4.231 1.00 12.02 N ATOM 852 CZ ARG A 414 -8.312 -8.853 -3.498 1.00 64.41 C ATOM 853 NH1 ARG A 414 -7.202 -8.735 -2.763 1.00 22.25 N ATOM 854 NH2 ARG A 414 -8.989 -9.986 -3.487 1.00 2.42 N ATOM 0 H ARG A 414 -9.239 -3.883 -7.504 1.00 54.32 H new ATOM 0 HA ARG A 414 -10.000 -2.997 -4.908 1.00 31.22 H new ATOM 0 HB2 ARG A 414 -7.565 -4.411 -5.952 1.00 53.21 H new ATOM 0 HB3 ARG A 414 -7.696 -3.869 -4.290 1.00 53.21 H new ATOM 0 HG2 ARG A 414 -9.703 -5.246 -3.977 1.00 20.24 H new ATOM 0 HG3 ARG A 414 -9.636 -5.754 -5.653 1.00 20.24 H new ATOM 0 HD2 ARG A 414 -7.320 -6.675 -5.211 1.00 25.01 H new ATOM 0 HD3 ARG A 414 -7.540 -6.290 -3.516 1.00 25.01 H new ATOM 0 HE ARG A 414 -9.663 -7.944 -4.691 1.00 12.02 H new ATOM 0 HH11 ARG A 414 -6.686 -7.855 -2.757 1.00 22.25 H new ATOM 0 HH12 ARG A 414 -6.871 -9.525 -2.208 1.00 22.25 H new ATOM 0 HH21 ARG A 414 -9.845 -10.074 -4.034 1.00 2.42 H new ATOM 0 HH22 ARG A 414 -8.656 -10.774 -2.931 1.00 2.42 H new ATOM 866 N SER A 415 -8.167 -1.300 -4.334 1.00 41.43 N ATOM 867 CA SER A 415 -7.497 -0.087 -4.052 1.00 13.22 C ATOM 868 C SER A 415 -7.054 -0.097 -2.590 1.00 2.25 C ATOM 869 O SER A 415 -7.553 -0.907 -1.802 1.00 44.14 O ATOM 870 CB SER A 415 -8.442 1.085 -4.337 1.00 30.21 C ATOM 871 OG SER A 415 -9.661 0.934 -3.630 1.00 12.13 O ATOM 0 H SER A 415 -8.448 -1.812 -3.498 1.00 41.43 H new ATOM 0 HA SER A 415 -6.614 0.023 -4.682 1.00 13.22 H new ATOM 0 HB2 SER A 415 -7.964 2.021 -4.050 1.00 30.21 H new ATOM 0 HB3 SER A 415 -8.642 1.144 -5.407 1.00 30.21 H new ATOM 0 HG SER A 415 -9.868 -0.019 -3.535 1.00 12.13 H new ATOM 877 N ALA A 416 -6.139 0.768 -2.232 1.00 32.05 N ATOM 878 CA ALA A 416 -5.640 0.839 -0.884 1.00 11.04 C ATOM 879 C ALA A 416 -5.023 2.177 -0.622 1.00 74.42 C ATOM 880 O ALA A 416 -4.481 2.813 -1.520 1.00 41.32 O ATOM 881 CB ALA A 416 -4.621 -0.263 -0.618 1.00 0.41 C ATOM 0 H ALA A 416 -5.719 1.444 -2.870 1.00 32.05 H new ATOM 0 HA ALA A 416 -6.484 0.699 -0.209 1.00 11.04 H new ATOM 0 HB1 ALA A 416 -4.261 -0.185 0.408 1.00 0.41 H new ATOM 0 HB2 ALA A 416 -5.090 -1.236 -0.765 1.00 0.41 H new ATOM 0 HB3 ALA A 416 -3.782 -0.157 -1.306 1.00 0.41 H new ATOM 887 N ILE A 417 -5.148 2.611 0.575 1.00 61.33 N ATOM 888 CA ILE A 417 -4.534 3.807 1.027 1.00 73.22 C ATOM 889 C ILE A 417 -3.469 3.455 2.070 1.00 31.44 C ATOM 890 O ILE A 417 -3.736 2.724 3.028 1.00 20.40 O ATOM 891 CB ILE A 417 -5.575 4.808 1.618 1.00 34.41 C ATOM 892 CG1 ILE A 417 -4.872 6.083 2.094 1.00 72.40 C ATOM 893 CG2 ILE A 417 -6.421 4.176 2.728 1.00 35.14 C ATOM 894 CD1 ILE A 417 -5.791 7.098 2.746 1.00 31.44 C ATOM 0 H ILE A 417 -5.695 2.133 1.290 1.00 61.33 H new ATOM 0 HA ILE A 417 -4.069 4.303 0.175 1.00 73.22 H new ATOM 0 HB ILE A 417 -6.270 5.077 0.823 1.00 34.41 H new ATOM 0 HG12 ILE A 417 -4.091 5.810 2.803 1.00 72.40 H new ATOM 0 HG13 ILE A 417 -4.379 6.551 1.242 1.00 72.40 H new ATOM 0 HG21 ILE A 417 -7.131 4.911 3.108 1.00 35.14 H new ATOM 0 HG22 ILE A 417 -6.964 3.320 2.328 1.00 35.14 H new ATOM 0 HG23 ILE A 417 -5.771 3.847 3.538 1.00 35.14 H new ATOM 0 HD11 ILE A 417 -5.212 7.969 3.053 1.00 31.44 H new ATOM 0 HD12 ILE A 417 -6.558 7.404 2.034 1.00 31.44 H new ATOM 0 HD13 ILE A 417 -6.265 6.651 3.620 1.00 31.44 H new ATOM 901 N VAL A 418 -2.284 3.929 1.859 1.00 62.12 N ATOM 902 CA VAL A 418 -1.191 3.689 2.762 1.00 71.22 C ATOM 903 C VAL A 418 -0.748 4.947 3.454 1.00 52.43 C ATOM 904 O VAL A 418 -0.553 5.977 2.827 1.00 23.34 O ATOM 905 CB VAL A 418 0.014 2.974 2.068 1.00 31.25 C ATOM 906 CG1 VAL A 418 1.293 3.163 2.833 1.00 3.43 C ATOM 907 CG2 VAL A 418 -0.245 1.499 1.994 1.00 61.04 C ATOM 0 H VAL A 418 -2.039 4.499 1.050 1.00 62.12 H new ATOM 0 HA VAL A 418 -1.571 3.008 3.523 1.00 71.22 H new ATOM 0 HB VAL A 418 0.115 3.414 1.076 1.00 31.25 H new ATOM 0 HG11 VAL A 418 2.105 2.651 2.317 1.00 3.43 H new ATOM 0 HG12 VAL A 418 1.521 4.227 2.903 1.00 3.43 H new ATOM 0 HG13 VAL A 418 1.182 2.749 3.835 1.00 3.43 H new ATOM 0 HG21 VAL A 418 0.598 1.005 1.510 1.00 61.04 H new ATOM 0 HG22 VAL A 418 -0.369 1.100 3.001 1.00 61.04 H new ATOM 0 HG23 VAL A 418 -1.152 1.317 1.418 1.00 61.04 H new ATOM 913 N THR A 419 -0.609 4.865 4.735 1.00 30.42 N ATOM 914 CA THR A 419 -0.105 5.944 5.502 1.00 54.32 C ATOM 915 C THR A 419 1.299 5.582 5.937 1.00 51.32 C ATOM 916 O THR A 419 1.484 4.623 6.697 1.00 21.53 O ATOM 917 CB THR A 419 -0.990 6.173 6.749 1.00 14.33 C ATOM 918 OG1 THR A 419 -1.144 4.932 7.466 1.00 72.04 O ATOM 919 CG2 THR A 419 -2.360 6.719 6.364 1.00 45.53 C ATOM 0 H THR A 419 -0.846 4.036 5.280 1.00 30.42 H new ATOM 0 HA THR A 419 -0.104 6.859 4.909 1.00 54.32 H new ATOM 0 HB THR A 419 -0.499 6.910 7.385 1.00 14.33 H new ATOM 0 HG1 THR A 419 -0.273 4.489 7.544 1.00 72.04 H new ATOM 0 HG21 THR A 419 -2.958 6.869 7.263 1.00 45.53 H new ATOM 0 HG22 THR A 419 -2.240 7.670 5.845 1.00 45.53 H new ATOM 0 HG23 THR A 419 -2.863 6.009 5.708 1.00 45.53 H new ATOM 925 N VAL A 420 2.277 6.308 5.448 1.00 15.00 N ATOM 926 CA VAL A 420 3.649 6.054 5.787 1.00 33.43 C ATOM 927 C VAL A 420 4.051 7.058 6.829 1.00 73.22 C ATOM 928 O VAL A 420 4.078 8.240 6.561 1.00 34.11 O ATOM 929 CB VAL A 420 4.581 6.216 4.554 1.00 13.52 C ATOM 930 CG1 VAL A 420 6.008 5.847 4.902 1.00 33.53 C ATOM 931 CG2 VAL A 420 4.089 5.394 3.374 1.00 14.42 C ATOM 0 H VAL A 420 2.140 7.089 4.806 1.00 15.00 H new ATOM 0 HA VAL A 420 3.744 5.030 6.149 1.00 33.43 H new ATOM 0 HB VAL A 420 4.559 7.266 4.262 1.00 13.52 H new ATOM 0 HG11 VAL A 420 6.640 5.969 4.022 1.00 33.53 H new ATOM 0 HG12 VAL A 420 6.368 6.497 5.700 1.00 33.53 H new ATOM 0 HG13 VAL A 420 6.045 4.810 5.234 1.00 33.53 H new ATOM 0 HG21 VAL A 420 4.764 5.530 2.529 1.00 14.42 H new ATOM 0 HG22 VAL A 420 4.062 4.340 3.651 1.00 14.42 H new ATOM 0 HG23 VAL A 420 3.087 5.721 3.095 1.00 14.42 H new ATOM 937 N GLU A 421 4.309 6.598 8.017 1.00 11.24 N ATOM 938 CA GLU A 421 4.654 7.492 9.102 1.00 13.45 C ATOM 939 C GLU A 421 6.072 7.232 9.563 1.00 1.01 C ATOM 940 O GLU A 421 6.776 6.446 8.958 1.00 74.24 O ATOM 941 CB GLU A 421 3.689 7.299 10.251 1.00 30.25 C ATOM 942 CG GLU A 421 2.245 7.470 9.860 1.00 22.04 C ATOM 943 CD GLU A 421 1.328 7.278 11.016 1.00 70.42 C ATOM 944 OE1 GLU A 421 1.252 6.154 11.535 1.00 25.20 O ATOM 945 OE2 GLU A 421 0.676 8.263 11.448 1.00 22.31 O ATOM 0 H GLU A 421 4.289 5.610 8.268 1.00 11.24 H new ATOM 0 HA GLU A 421 4.586 8.521 8.749 1.00 13.45 H new ATOM 0 HB2 GLU A 421 3.828 6.302 10.668 1.00 30.25 H new ATOM 0 HB3 GLU A 421 3.930 8.011 11.040 1.00 30.25 H new ATOM 0 HG2 GLU A 421 2.098 8.466 9.442 1.00 22.04 H new ATOM 0 HG3 GLU A 421 1.995 6.755 9.076 1.00 22.04 H new ATOM 952 N CYS A 422 6.473 7.884 10.627 1.00 24.15 N ATOM 953 CA CYS A 422 7.813 7.758 11.173 1.00 11.50 C ATOM 954 C CYS A 422 8.118 6.319 11.559 1.00 50.31 C ATOM 955 O CYS A 422 7.354 5.684 12.283 1.00 33.43 O ATOM 956 CB CYS A 422 7.959 8.678 12.394 1.00 32.34 C ATOM 957 SG CYS A 422 9.545 8.526 13.306 1.00 52.31 S ATOM 0 H CYS A 422 5.875 8.526 11.148 1.00 24.15 H new ATOM 0 HA CYS A 422 8.528 8.055 10.406 1.00 11.50 H new ATOM 0 HB2 CYS A 422 7.845 9.711 12.065 1.00 32.34 H new ATOM 0 HB3 CYS A 422 7.141 8.471 13.084 1.00 32.34 H new ATOM 962 N GLY A 423 9.233 5.822 11.076 1.00 73.14 N ATOM 963 CA GLY A 423 9.636 4.465 11.354 1.00 54.41 C ATOM 964 C GLY A 423 11.100 4.272 11.133 1.00 62.43 C ATOM 965 O GLY A 423 11.816 5.232 10.853 1.00 14.42 O ATOM 0 H GLY A 423 9.881 6.342 10.484 1.00 73.14 H new ATOM 0 HA2 GLY A 423 9.387 4.214 12.385 1.00 54.41 H new ATOM 0 HA3 GLY A 423 9.077 3.781 10.716 1.00 54.41 H new ATOM 969 N VAL A 424 11.547 3.054 11.283 1.00 1.15 N ATOM 970 CA VAL A 424 12.934 2.700 11.069 1.00 71.20 C ATOM 971 C VAL A 424 13.192 2.528 9.568 1.00 15.33 C ATOM 972 O VAL A 424 14.238 2.942 9.056 1.00 23.13 O ATOM 973 CB VAL A 424 13.298 1.381 11.816 1.00 43.01 C ATOM 974 CG1 VAL A 424 14.763 1.014 11.612 1.00 10.13 C ATOM 975 CG2 VAL A 424 12.979 1.497 13.299 1.00 43.42 C ATOM 0 H VAL A 424 10.957 2.269 11.560 1.00 1.15 H new ATOM 0 HA VAL A 424 13.559 3.501 11.464 1.00 71.20 H new ATOM 0 HB VAL A 424 12.690 0.582 11.392 1.00 43.01 H new ATOM 0 HG11 VAL A 424 14.984 0.090 12.146 1.00 10.13 H new ATOM 0 HG12 VAL A 424 14.959 0.875 10.549 1.00 10.13 H new ATOM 0 HG13 VAL A 424 15.395 1.815 11.995 1.00 10.13 H new ATOM 0 HG21 VAL A 424 13.241 0.566 13.801 1.00 43.42 H new ATOM 0 HG22 VAL A 424 13.553 2.316 13.732 1.00 43.42 H new ATOM 0 HG23 VAL A 424 11.914 1.692 13.428 1.00 43.42 H new ATOM 981 N GLU A 425 12.218 1.945 8.870 1.00 63.23 N ATOM 982 CA GLU A 425 12.296 1.691 7.432 1.00 43.41 C ATOM 983 C GLU A 425 10.954 1.227 6.935 1.00 52.04 C ATOM 984 O GLU A 425 10.092 0.831 7.725 1.00 12.11 O ATOM 985 CB GLU A 425 13.394 0.660 7.115 1.00 71.13 C ATOM 986 CG GLU A 425 13.598 0.364 5.637 1.00 3.31 C ATOM 987 CD GLU A 425 14.688 -0.634 5.407 1.00 21.45 C ATOM 988 OE1 GLU A 425 14.463 -1.838 5.645 1.00 33.33 O ATOM 989 OE2 GLU A 425 15.796 -0.230 5.013 1.00 13.22 O ATOM 0 H GLU A 425 11.343 1.632 9.292 1.00 63.23 H new ATOM 0 HA GLU A 425 12.562 2.615 6.919 1.00 43.41 H new ATOM 0 HB2 GLU A 425 14.336 1.017 7.531 1.00 71.13 H new ATOM 0 HB3 GLU A 425 13.153 -0.272 7.626 1.00 71.13 H new ATOM 0 HG2 GLU A 425 12.668 -0.012 5.211 1.00 3.31 H new ATOM 0 HG3 GLU A 425 13.838 1.289 5.112 1.00 3.31 H new ATOM 996 N ASN A 426 10.783 1.314 5.636 1.00 54.11 N ATOM 997 CA ASN A 426 9.571 0.954 4.971 1.00 13.42 C ATOM 998 C ASN A 426 9.228 -0.495 5.157 1.00 71.30 C ATOM 999 O ASN A 426 9.834 -1.377 4.550 1.00 64.55 O ATOM 1000 CB ASN A 426 9.630 1.320 3.495 1.00 72.25 C ATOM 1001 CG ASN A 426 9.748 2.811 3.283 1.00 64.30 C ATOM 1002 OD1 ASN A 426 10.833 3.371 3.167 1.00 42.54 O ATOM 1003 ND2 ASN A 426 8.647 3.459 3.306 1.00 22.23 N ATOM 0 H ASN A 426 11.510 1.648 5.003 1.00 54.11 H new ATOM 0 HA ASN A 426 8.770 1.530 5.434 1.00 13.42 H new ATOM 0 HB2 ASN A 426 10.481 0.820 3.032 1.00 72.25 H new ATOM 0 HB3 ASN A 426 8.734 0.953 2.995 1.00 72.25 H new ATOM 0 HD21 ASN A 426 8.652 4.476 3.226 1.00 22.23 H new ATOM 0 HD22 ASN A 426 7.763 2.959 3.404 1.00 22.23 H new ATOM 1009 N GLU A 427 8.313 -0.723 6.046 1.00 52.50 N ATOM 1010 CA GLU A 427 7.781 -2.031 6.320 1.00 62.14 C ATOM 1011 C GLU A 427 6.256 -1.943 6.344 1.00 53.24 C ATOM 1012 O GLU A 427 5.706 -0.880 6.695 1.00 34.12 O ATOM 1013 CB GLU A 427 8.324 -2.564 7.661 1.00 11.52 C ATOM 1014 CG GLU A 427 7.827 -3.955 8.024 1.00 51.24 C ATOM 1015 CD GLU A 427 8.189 -4.996 6.987 1.00 22.42 C ATOM 1016 OE1 GLU A 427 7.545 -5.038 5.926 1.00 52.23 O ATOM 1017 OE2 GLU A 427 9.116 -5.797 7.233 1.00 1.10 O ATOM 0 H GLU A 427 7.901 0.013 6.620 1.00 52.50 H new ATOM 0 HA GLU A 427 8.091 -2.728 5.541 1.00 62.14 H new ATOM 0 HB2 GLU A 427 9.413 -2.578 7.620 1.00 11.52 H new ATOM 0 HB3 GLU A 427 8.044 -1.871 8.455 1.00 11.52 H new ATOM 0 HG2 GLU A 427 8.247 -4.246 8.987 1.00 51.24 H new ATOM 0 HG3 GLU A 427 6.744 -3.929 8.144 1.00 51.24 H new ATOM 1024 N ILE A 428 5.577 -3.018 5.956 1.00 11.23 N ATOM 1025 CA ILE A 428 4.130 -3.036 5.968 1.00 51.32 C ATOM 1026 C ILE A 428 3.708 -3.337 7.391 1.00 21.13 C ATOM 1027 O ILE A 428 4.046 -4.390 7.932 1.00 54.32 O ATOM 1028 CB ILE A 428 3.548 -4.152 5.055 1.00 15.33 C ATOM 1029 CG1 ILE A 428 4.180 -4.114 3.654 1.00 60.25 C ATOM 1030 CG2 ILE A 428 2.032 -3.976 4.950 1.00 24.15 C ATOM 1031 CD1 ILE A 428 3.913 -2.842 2.889 1.00 63.43 C ATOM 0 H ILE A 428 6.010 -3.883 5.631 1.00 11.23 H new ATOM 0 HA ILE A 428 3.762 -2.077 5.603 1.00 51.32 H new ATOM 0 HB ILE A 428 3.780 -5.120 5.498 1.00 15.33 H new ATOM 0 HG12 ILE A 428 5.258 -4.247 3.750 1.00 60.25 H new ATOM 0 HG13 ILE A 428 3.805 -4.958 3.075 1.00 60.25 H new ATOM 0 HG21 ILE A 428 1.619 -4.756 4.311 1.00 24.15 H new ATOM 0 HG22 ILE A 428 1.588 -4.047 5.943 1.00 24.15 H new ATOM 0 HG23 ILE A 428 1.808 -2.999 4.521 1.00 24.15 H new ATOM 0 HD11 ILE A 428 4.394 -2.897 1.912 1.00 63.43 H new ATOM 0 HD12 ILE A 428 2.838 -2.715 2.758 1.00 63.43 H new ATOM 0 HD13 ILE A 428 4.314 -1.993 3.443 1.00 63.43 H new ATOM 1038 N VAL A 429 3.012 -2.432 7.993 1.00 4.52 N ATOM 1039 CA VAL A 429 2.601 -2.579 9.367 1.00 60.10 C ATOM 1040 C VAL A 429 1.365 -3.452 9.492 1.00 13.00 C ATOM 1041 O VAL A 429 1.353 -4.424 10.256 1.00 22.52 O ATOM 1042 CB VAL A 429 2.345 -1.192 10.018 1.00 42.41 C ATOM 1043 CG1 VAL A 429 1.711 -1.329 11.389 1.00 62.20 C ATOM 1044 CG2 VAL A 429 3.641 -0.401 10.114 1.00 65.32 C ATOM 0 H VAL A 429 2.706 -1.564 7.553 1.00 4.52 H new ATOM 0 HA VAL A 429 3.416 -3.072 9.897 1.00 60.10 H new ATOM 0 HB VAL A 429 1.647 -0.652 9.379 1.00 42.41 H new ATOM 0 HG11 VAL A 429 1.546 -0.339 11.814 1.00 62.20 H new ATOM 0 HG12 VAL A 429 0.757 -1.848 11.298 1.00 62.20 H new ATOM 0 HG13 VAL A 429 2.373 -1.898 12.041 1.00 62.20 H new ATOM 0 HG21 VAL A 429 3.443 0.568 10.572 1.00 65.32 H new ATOM 0 HG22 VAL A 429 4.359 -0.951 10.723 1.00 65.32 H new ATOM 0 HG23 VAL A 429 4.052 -0.253 9.115 1.00 65.32 H new ATOM 1050 N SER A 430 0.364 -3.142 8.721 1.00 21.44 N ATOM 1051 CA SER A 430 -0.903 -3.800 8.828 1.00 21.25 C ATOM 1052 C SER A 430 -1.754 -3.476 7.628 1.00 12.45 C ATOM 1053 O SER A 430 -1.435 -2.554 6.869 1.00 54.53 O ATOM 1054 CB SER A 430 -1.601 -3.344 10.118 1.00 51.53 C ATOM 1055 OG SER A 430 -1.685 -1.920 10.174 1.00 62.43 O ATOM 0 H SER A 430 0.405 -2.423 7.998 1.00 21.44 H new ATOM 0 HA SER A 430 -0.754 -4.879 8.863 1.00 21.25 H new ATOM 0 HB2 SER A 430 -2.602 -3.774 10.167 1.00 51.53 H new ATOM 0 HB3 SER A 430 -1.052 -3.715 10.984 1.00 51.53 H new ATOM 0 HG SER A 430 -2.134 -1.651 11.002 1.00 62.43 H new ATOM 1061 N VAL A 431 -2.810 -4.231 7.452 1.00 15.00 N ATOM 1062 CA VAL A 431 -3.743 -4.026 6.391 1.00 33.23 C ATOM 1063 C VAL A 431 -5.129 -4.297 6.905 1.00 74.00 C ATOM 1064 O VAL A 431 -5.398 -5.358 7.489 1.00 73.42 O ATOM 1065 CB VAL A 431 -3.422 -4.870 5.110 1.00 21.21 C ATOM 1066 CG1 VAL A 431 -3.273 -6.333 5.428 1.00 71.31 C ATOM 1067 CG2 VAL A 431 -4.500 -4.676 4.050 1.00 41.33 C ATOM 0 H VAL A 431 -3.042 -5.018 8.058 1.00 15.00 H new ATOM 0 HA VAL A 431 -3.666 -2.988 6.069 1.00 33.23 H new ATOM 0 HB VAL A 431 -2.470 -4.511 4.720 1.00 21.21 H new ATOM 0 HG11 VAL A 431 -3.051 -6.883 4.514 1.00 71.31 H new ATOM 0 HG12 VAL A 431 -2.459 -6.469 6.140 1.00 71.31 H new ATOM 0 HG13 VAL A 431 -4.201 -6.708 5.861 1.00 71.31 H new ATOM 0 HG21 VAL A 431 -4.256 -5.271 3.170 1.00 41.33 H new ATOM 0 HG22 VAL A 431 -5.463 -4.995 4.448 1.00 41.33 H new ATOM 0 HG23 VAL A 431 -4.552 -3.623 3.773 1.00 41.33 H new ATOM 1073 N LEU A 432 -5.975 -3.348 6.745 1.00 73.45 N ATOM 1074 CA LEU A 432 -7.314 -3.450 7.191 1.00 33.41 C ATOM 1075 C LEU A 432 -8.215 -3.141 6.014 1.00 62.21 C ATOM 1076 O LEU A 432 -7.938 -2.220 5.254 1.00 74.24 O ATOM 1077 CB LEU A 432 -7.543 -2.463 8.336 1.00 14.35 C ATOM 1078 CG LEU A 432 -8.843 -2.612 9.110 1.00 2.01 C ATOM 1079 CD1 LEU A 432 -8.885 -3.975 9.777 1.00 2.00 C ATOM 1080 CD2 LEU A 432 -8.964 -1.513 10.147 1.00 4.45 C ATOM 0 H LEU A 432 -5.752 -2.462 6.292 1.00 73.45 H new ATOM 0 HA LEU A 432 -7.533 -4.451 7.564 1.00 33.41 H new ATOM 0 HB2 LEU A 432 -6.715 -2.557 9.039 1.00 14.35 H new ATOM 0 HB3 LEU A 432 -7.502 -1.453 7.929 1.00 14.35 H new ATOM 0 HG LEU A 432 -9.683 -2.528 8.420 1.00 2.01 H new ATOM 0 HD11 LEU A 432 -9.818 -4.080 10.331 1.00 2.00 H new ATOM 0 HD12 LEU A 432 -8.825 -4.754 9.017 1.00 2.00 H new ATOM 0 HD13 LEU A 432 -8.043 -4.071 10.462 1.00 2.00 H new ATOM 0 HD21 LEU A 432 -9.899 -1.631 10.695 1.00 4.45 H new ATOM 0 HD22 LEU A 432 -8.126 -1.575 10.842 1.00 4.45 H new ATOM 0 HD23 LEU A 432 -8.954 -0.542 9.651 1.00 4.45 H new ATOM 1088 N GLU A 433 -9.251 -3.900 5.832 1.00 22.45 N ATOM 1089 CA GLU A 433 -10.131 -3.687 4.712 1.00 61.51 C ATOM 1090 C GLU A 433 -11.097 -2.552 5.057 1.00 3.31 C ATOM 1091 O GLU A 433 -11.988 -2.708 5.897 1.00 4.32 O ATOM 1092 CB GLU A 433 -10.892 -4.976 4.405 1.00 4.21 C ATOM 1093 CG GLU A 433 -11.753 -4.934 3.159 1.00 51.45 C ATOM 1094 CD GLU A 433 -12.564 -6.197 3.003 1.00 25.02 C ATOM 1095 OE1 GLU A 433 -13.652 -6.275 3.608 1.00 62.13 O ATOM 1096 OE2 GLU A 433 -12.122 -7.132 2.296 1.00 34.34 O ATOM 0 H GLU A 433 -9.513 -4.675 6.442 1.00 22.45 H new ATOM 0 HA GLU A 433 -9.559 -3.411 3.826 1.00 61.51 H new ATOM 0 HB2 GLU A 433 -10.173 -5.789 4.303 1.00 4.21 H new ATOM 0 HB3 GLU A 433 -11.526 -5.217 5.258 1.00 4.21 H new ATOM 0 HG2 GLU A 433 -12.422 -4.075 3.207 1.00 51.45 H new ATOM 0 HG3 GLU A 433 -11.120 -4.797 2.283 1.00 51.45 H new ATOM 1103 N ALA A 434 -10.890 -1.413 4.415 1.00 3.22 N ATOM 1104 CA ALA A 434 -11.645 -0.191 4.669 1.00 4.41 C ATOM 1105 C ALA A 434 -13.090 -0.367 4.287 1.00 71.53 C ATOM 1106 O ALA A 434 -13.981 -0.265 5.122 1.00 43.41 O ATOM 1107 CB ALA A 434 -11.032 0.972 3.893 1.00 63.12 C ATOM 0 H ALA A 434 -10.181 -1.308 3.690 1.00 3.22 H new ATOM 0 HA ALA A 434 -11.598 0.029 5.736 1.00 4.41 H new ATOM 0 HB1 ALA A 434 -11.602 1.880 4.088 1.00 63.12 H new ATOM 0 HB2 ALA A 434 -9.999 1.116 4.210 1.00 63.12 H new ATOM 0 HB3 ALA A 434 -11.057 0.751 2.826 1.00 63.12 H new ATOM 1113 N GLN A 435 -13.318 -0.636 3.038 1.00 62.24 N ATOM 1114 CA GLN A 435 -14.656 -0.846 2.547 1.00 62.33 C ATOM 1115 C GLN A 435 -14.872 -2.285 2.199 1.00 62.21 C ATOM 1116 O GLN A 435 -15.506 -3.028 2.938 1.00 2.33 O ATOM 1117 CB GLN A 435 -14.946 0.021 1.319 1.00 22.22 C ATOM 1118 CG GLN A 435 -15.073 1.493 1.591 1.00 43.34 C ATOM 1119 CD GLN A 435 -15.288 2.288 0.321 1.00 73.34 C ATOM 1120 OE1 GLN A 435 -16.411 2.488 -0.109 1.00 61.44 O ATOM 1121 NE2 GLN A 435 -14.223 2.772 -0.271 1.00 43.41 N ATOM 0 H GLN A 435 -12.589 -0.717 2.329 1.00 62.24 H new ATOM 0 HA GLN A 435 -15.340 -0.559 3.345 1.00 62.33 H new ATOM 0 HB2 GLN A 435 -14.149 -0.130 0.591 1.00 22.22 H new ATOM 0 HB3 GLN A 435 -15.870 -0.328 0.858 1.00 22.22 H new ATOM 0 HG2 GLN A 435 -15.907 1.665 2.272 1.00 43.34 H new ATOM 0 HG3 GLN A 435 -14.173 1.848 2.093 1.00 43.34 H new ATOM 0 HE21 GLN A 435 -13.297 2.587 0.114 1.00 43.41 H new ATOM 0 HE22 GLN A 435 -14.321 3.334 -1.117 1.00 43.41 H new ATOM 1129 N LYS A 436 -14.301 -2.673 1.083 1.00 55.11 N ATOM 1130 CA LYS A 436 -14.484 -3.987 0.529 1.00 54.04 C ATOM 1131 C LYS A 436 -13.443 -4.244 -0.546 1.00 31.52 C ATOM 1132 O LYS A 436 -12.838 -5.292 -0.608 1.00 32.53 O ATOM 1133 CB LYS A 436 -15.923 -4.095 0.008 1.00 50.32 C ATOM 1134 CG LYS A 436 -16.326 -2.988 -0.955 1.00 65.41 C ATOM 1135 CD LYS A 436 -17.816 -2.908 -1.053 1.00 44.24 C ATOM 1136 CE LYS A 436 -18.275 -1.832 -2.030 1.00 14.43 C ATOM 1137 NZ LYS A 436 -19.748 -1.758 -2.099 1.00 63.20 N ATOM 0 H LYS A 436 -13.689 -2.074 0.529 1.00 55.11 H new ATOM 0 HA LYS A 436 -14.341 -4.758 1.286 1.00 54.04 H new ATOM 0 HB2 LYS A 436 -16.045 -5.056 -0.491 1.00 50.32 H new ATOM 0 HB3 LYS A 436 -16.606 -4.088 0.858 1.00 50.32 H new ATOM 0 HG2 LYS A 436 -15.925 -2.034 -0.613 1.00 65.41 H new ATOM 0 HG3 LYS A 436 -15.899 -3.179 -1.940 1.00 65.41 H new ATOM 0 HD2 LYS A 436 -18.209 -3.874 -1.369 1.00 44.24 H new ATOM 0 HD3 LYS A 436 -18.232 -2.702 -0.067 1.00 44.24 H new ATOM 0 HE2 LYS A 436 -17.875 -0.866 -1.723 1.00 14.43 H new ATOM 0 HE3 LYS A 436 -17.873 -2.043 -3.021 1.00 14.43 H new ATOM 0 HZ1 LYS A 436 -20.027 -1.016 -2.772 1.00 63.20 H new ATOM 0 HZ2 LYS A 436 -20.127 -2.673 -2.415 1.00 63.20 H new ATOM 0 HZ3 LYS A 436 -20.129 -1.532 -1.158 1.00 63.20 H new ATOM 1151 N CYS A 437 -13.223 -3.262 -1.362 1.00 21.24 N ATOM 1152 CA CYS A 437 -12.211 -3.320 -2.391 1.00 74.21 C ATOM 1153 C CYS A 437 -11.199 -2.245 -2.158 1.00 23.44 C ATOM 1154 O CYS A 437 -10.391 -1.935 -2.999 1.00 63.42 O ATOM 1155 CB CYS A 437 -12.835 -3.163 -3.751 1.00 23.13 C ATOM 1156 SG CYS A 437 -13.916 -4.528 -4.228 1.00 33.25 S ATOM 0 H CYS A 437 -13.742 -2.384 -1.339 1.00 21.24 H new ATOM 0 HA CYS A 437 -11.718 -4.291 -2.351 1.00 74.21 H new ATOM 0 HB2 CYS A 437 -13.408 -2.236 -3.771 1.00 23.13 H new ATOM 0 HB3 CYS A 437 -12.043 -3.065 -4.493 1.00 23.13 H new ATOM 1161 N GLU A 438 -11.241 -1.708 -0.996 1.00 53.35 N ATOM 1162 CA GLU A 438 -10.353 -0.677 -0.600 1.00 42.13 C ATOM 1163 C GLU A 438 -9.859 -0.992 0.773 1.00 1.13 C ATOM 1164 O GLU A 438 -10.651 -1.347 1.654 1.00 55.34 O ATOM 1165 CB GLU A 438 -11.032 0.684 -0.673 1.00 22.40 C ATOM 1166 CG GLU A 438 -10.196 1.827 -0.107 1.00 42.53 C ATOM 1167 CD GLU A 438 -10.854 3.170 -0.241 1.00 0.51 C ATOM 1168 OE1 GLU A 438 -11.671 3.534 0.628 1.00 30.03 O ATOM 1169 OE2 GLU A 438 -10.549 3.892 -1.211 1.00 22.52 O ATOM 0 H GLU A 438 -11.910 -1.979 -0.275 1.00 53.35 H new ATOM 0 HA GLU A 438 -9.502 -0.626 -1.280 1.00 42.13 H new ATOM 0 HB2 GLU A 438 -11.271 0.904 -1.713 1.00 22.40 H new ATOM 0 HB3 GLU A 438 -11.977 0.636 -0.132 1.00 22.40 H new ATOM 0 HG2 GLU A 438 -9.994 1.633 0.946 1.00 42.53 H new ATOM 0 HG3 GLU A 438 -9.233 1.850 -0.617 1.00 42.53 H new ATOM 1176 N TYR A 439 -8.572 -0.916 0.940 1.00 22.13 N ATOM 1177 CA TYR A 439 -7.915 -1.289 2.167 1.00 74.13 C ATOM 1178 C TYR A 439 -7.104 -0.120 2.707 1.00 2.31 C ATOM 1179 O TYR A 439 -6.658 0.726 1.945 1.00 62.44 O ATOM 1180 CB TYR A 439 -6.958 -2.464 1.875 1.00 34.13 C ATOM 1181 CG TYR A 439 -7.614 -3.638 1.170 1.00 40.22 C ATOM 1182 CD1 TYR A 439 -7.750 -3.650 -0.219 1.00 12.11 C ATOM 1183 CD2 TYR A 439 -8.102 -4.718 1.876 1.00 42.43 C ATOM 1184 CE1 TYR A 439 -8.344 -4.693 -0.868 1.00 33.20 C ATOM 1185 CE2 TYR A 439 -8.701 -5.777 1.223 1.00 21.24 C ATOM 1186 CZ TYR A 439 -8.819 -5.755 -0.150 1.00 3.53 C ATOM 1187 OH TYR A 439 -9.406 -6.801 -0.805 1.00 44.34 O ATOM 0 H TYR A 439 -7.933 -0.587 0.216 1.00 22.13 H new ATOM 0 HA TYR A 439 -8.665 -1.575 2.905 1.00 74.13 H new ATOM 0 HB2 TYR A 439 -6.132 -2.102 1.263 1.00 34.13 H new ATOM 0 HB3 TYR A 439 -6.530 -2.812 2.815 1.00 34.13 H new ATOM 0 HD1 TYR A 439 -7.377 -2.815 -0.793 1.00 12.11 H new ATOM 0 HD2 TYR A 439 -8.015 -4.735 2.952 1.00 42.43 H new ATOM 0 HE1 TYR A 439 -8.438 -4.680 -1.944 1.00 33.20 H new ATOM 0 HE2 TYR A 439 -9.076 -6.619 1.786 1.00 21.24 H new ATOM 0 HH TYR A 439 -9.690 -7.477 -0.154 1.00 44.34 H new ATOM 1197 N LEU A 440 -6.948 -0.059 4.003 1.00 54.24 N ATOM 1198 CA LEU A 440 -6.071 0.905 4.611 1.00 74.31 C ATOM 1199 C LEU A 440 -4.890 0.159 5.176 1.00 71.32 C ATOM 1200 O LEU A 440 -5.048 -0.775 5.971 1.00 70.24 O ATOM 1201 CB LEU A 440 -6.735 1.833 5.686 1.00 53.10 C ATOM 1202 CG LEU A 440 -7.361 1.205 6.956 1.00 64.31 C ATOM 1203 CD1 LEU A 440 -7.638 2.294 7.976 1.00 34.21 C ATOM 1204 CD2 LEU A 440 -8.671 0.519 6.630 1.00 23.00 C ATOM 0 H LEU A 440 -7.423 -0.673 4.664 1.00 54.24 H new ATOM 0 HA LEU A 440 -5.766 1.605 3.833 1.00 74.31 H new ATOM 0 HB2 LEU A 440 -5.978 2.546 6.014 1.00 53.10 H new ATOM 0 HB3 LEU A 440 -7.516 2.405 5.186 1.00 53.10 H new ATOM 0 HG LEU A 440 -6.658 0.473 7.353 1.00 64.31 H new ATOM 0 HD11 LEU A 440 -8.079 1.852 8.870 1.00 34.21 H new ATOM 0 HD12 LEU A 440 -6.705 2.792 8.240 1.00 34.21 H new ATOM 0 HD13 LEU A 440 -8.330 3.022 7.552 1.00 34.21 H new ATOM 0 HD21 LEU A 440 -9.091 0.086 7.538 1.00 23.00 H new ATOM 0 HD22 LEU A 440 -9.370 1.247 6.218 1.00 23.00 H new ATOM 0 HD23 LEU A 440 -8.496 -0.270 5.899 1.00 23.00 H new ATOM 1212 N ILE A 441 -3.741 0.524 4.728 1.00 73.32 N ATOM 1213 CA ILE A 441 -2.511 -0.127 5.096 1.00 54.31 C ATOM 1214 C ILE A 441 -1.572 0.886 5.739 1.00 55.24 C ATOM 1215 O ILE A 441 -1.416 2.005 5.243 1.00 21.23 O ATOM 1216 CB ILE A 441 -1.865 -0.751 3.824 1.00 5.44 C ATOM 1217 CG1 ILE A 441 -2.757 -1.867 3.275 1.00 62.25 C ATOM 1218 CG2 ILE A 441 -0.448 -1.266 4.091 1.00 4.24 C ATOM 1219 CD1 ILE A 441 -2.375 -2.369 1.903 1.00 1.10 C ATOM 0 H ILE A 441 -3.616 1.301 4.079 1.00 73.32 H new ATOM 0 HA ILE A 441 -2.707 -0.921 5.817 1.00 54.31 H new ATOM 0 HB ILE A 441 -1.779 0.036 3.075 1.00 5.44 H new ATOM 0 HG12 ILE A 441 -2.736 -2.705 3.972 1.00 62.25 H new ATOM 0 HG13 ILE A 441 -3.785 -1.507 3.241 1.00 62.25 H new ATOM 0 HG21 ILE A 441 -0.037 -1.692 3.176 1.00 4.24 H new ATOM 0 HG22 ILE A 441 0.183 -0.441 4.422 1.00 4.24 H new ATOM 0 HG23 ILE A 441 -0.479 -2.032 4.866 1.00 4.24 H new ATOM 0 HD11 ILE A 441 -3.064 -3.157 1.599 1.00 1.10 H new ATOM 0 HD12 ILE A 441 -2.425 -1.548 1.188 1.00 1.10 H new ATOM 0 HD13 ILE A 441 -1.360 -2.765 1.930 1.00 1.10 H new ATOM 1226 N LYS A 442 -0.974 0.523 6.840 1.00 45.13 N ATOM 1227 CA LYS A 442 -0.082 1.417 7.501 1.00 63.12 C ATOM 1228 C LYS A 442 1.346 0.990 7.223 1.00 34.41 C ATOM 1229 O LYS A 442 1.643 -0.205 7.158 1.00 22.34 O ATOM 1230 CB LYS A 442 -0.353 1.432 9.005 1.00 14.35 C ATOM 1231 CG LYS A 442 0.433 2.495 9.765 1.00 2.30 C ATOM 1232 CD LYS A 442 0.219 2.394 11.264 1.00 45.13 C ATOM 1233 CE LYS A 442 -1.251 2.504 11.655 1.00 54.22 C ATOM 1234 NZ LYS A 442 -1.432 2.374 13.113 1.00 31.03 N ATOM 0 H LYS A 442 -1.091 -0.384 7.292 1.00 45.13 H new ATOM 0 HA LYS A 442 -0.238 2.427 7.122 1.00 63.12 H new ATOM 0 HB2 LYS A 442 -1.418 1.594 9.171 1.00 14.35 H new ATOM 0 HB3 LYS A 442 -0.112 0.452 9.417 1.00 14.35 H new ATOM 0 HG2 LYS A 442 1.495 2.390 9.542 1.00 2.30 H new ATOM 0 HG3 LYS A 442 0.131 3.484 9.421 1.00 2.30 H new ATOM 0 HD2 LYS A 442 0.616 1.444 11.621 1.00 45.13 H new ATOM 0 HD3 LYS A 442 0.784 3.182 11.762 1.00 45.13 H new ATOM 0 HE2 LYS A 442 -1.647 3.464 11.322 1.00 54.22 H new ATOM 0 HE3 LYS A 442 -1.823 1.729 11.145 1.00 54.22 H new ATOM 0 HZ1 LYS A 442 -2.443 2.453 13.346 1.00 31.03 H new ATOM 0 HZ2 LYS A 442 -1.076 1.448 13.426 1.00 31.03 H new ATOM 0 HZ3 LYS A 442 -0.905 3.129 13.597 1.00 31.03 H new ATOM 1248 N MET A 443 2.214 1.946 7.019 1.00 54.22 N ATOM 1249 CA MET A 443 3.613 1.691 6.800 1.00 2.34 C ATOM 1250 C MET A 443 4.400 2.710 7.561 1.00 45.44 C ATOM 1251 O MET A 443 3.859 3.732 7.984 1.00 70.33 O ATOM 1252 CB MET A 443 3.996 1.768 5.311 1.00 31.43 C ATOM 1253 CG MET A 443 3.354 0.723 4.417 1.00 45.23 C ATOM 1254 SD MET A 443 3.882 0.870 2.694 1.00 61.51 S ATOM 1255 CE MET A 443 5.648 0.599 2.847 1.00 52.53 C ATOM 0 H MET A 443 1.966 2.935 7.000 1.00 54.22 H new ATOM 0 HA MET A 443 3.833 0.679 7.141 1.00 2.34 H new ATOM 0 HB2 MET A 443 3.729 2.756 4.936 1.00 31.43 H new ATOM 0 HB3 MET A 443 5.079 1.677 5.227 1.00 31.43 H new ATOM 0 HG2 MET A 443 3.605 -0.271 4.787 1.00 45.23 H new ATOM 0 HG3 MET A 443 2.270 0.819 4.471 1.00 45.23 H new ATOM 0 HE1 MET A 443 6.054 0.291 1.883 1.00 52.53 H new ATOM 0 HE2 MET A 443 6.132 1.522 3.165 1.00 52.53 H new ATOM 0 HE3 MET A 443 5.834 -0.181 3.585 1.00 52.53 H new ATOM 1265 N LYS A 444 5.642 2.452 7.755 1.00 63.24 N ATOM 1266 CA LYS A 444 6.491 3.389 8.432 1.00 54.34 C ATOM 1267 C LYS A 444 7.733 3.586 7.620 1.00 42.13 C ATOM 1268 O LYS A 444 8.032 2.777 6.743 1.00 22.33 O ATOM 1269 CB LYS A 444 6.865 2.913 9.825 1.00 14.11 C ATOM 1270 CG LYS A 444 5.712 2.622 10.734 1.00 4.13 C ATOM 1271 CD LYS A 444 5.082 3.903 11.196 1.00 2.42 C ATOM 1272 CE LYS A 444 3.888 3.616 12.047 1.00 41.42 C ATOM 1273 NZ LYS A 444 3.257 4.828 12.628 1.00 62.12 N ATOM 0 H LYS A 444 6.105 1.594 7.455 1.00 63.24 H new ATOM 0 HA LYS A 444 5.947 4.327 8.541 1.00 54.34 H new ATOM 0 HB2 LYS A 444 7.470 2.011 9.732 1.00 14.11 H new ATOM 0 HB3 LYS A 444 7.493 3.671 10.293 1.00 14.11 H new ATOM 0 HG2 LYS A 444 4.974 2.012 10.213 1.00 4.13 H new ATOM 0 HG3 LYS A 444 6.053 2.045 11.594 1.00 4.13 H new ATOM 0 HD2 LYS A 444 5.807 4.490 11.760 1.00 2.42 H new ATOM 0 HD3 LYS A 444 4.788 4.503 10.335 1.00 2.42 H new ATOM 0 HE2 LYS A 444 3.148 3.084 11.449 1.00 41.42 H new ATOM 0 HE3 LYS A 444 4.183 2.949 12.857 1.00 41.42 H new ATOM 0 HZ1 LYS A 444 2.891 4.608 13.576 1.00 62.12 H new ATOM 0 HZ2 LYS A 444 3.964 5.588 12.697 1.00 62.12 H new ATOM 0 HZ3 LYS A 444 2.474 5.138 12.018 1.00 62.12 H new ATOM 1287 N SER A 445 8.421 4.653 7.880 1.00 13.11 N ATOM 1288 CA SER A 445 9.656 4.981 7.189 1.00 74.01 C ATOM 1289 C SER A 445 10.374 6.121 7.923 1.00 65.34 C ATOM 1290 O SER A 445 9.721 6.988 8.517 1.00 21.33 O ATOM 1291 CB SER A 445 9.340 5.420 5.745 1.00 2.05 C ATOM 1292 OG SER A 445 10.517 5.649 4.980 1.00 62.43 O ATOM 0 H SER A 445 8.148 5.338 8.585 1.00 13.11 H new ATOM 0 HA SER A 445 10.300 4.102 7.170 1.00 74.01 H new ATOM 0 HB2 SER A 445 8.737 4.654 5.259 1.00 2.05 H new ATOM 0 HB3 SER A 445 8.741 6.330 5.767 1.00 2.05 H new ATOM 0 HG SER A 445 10.673 4.887 4.383 1.00 62.43 H new ATOM 1298 N PRO A 446 11.722 6.148 7.908 1.00 51.31 N ATOM 1299 CA PRO A 446 12.490 7.238 8.524 1.00 32.53 C ATOM 1300 C PRO A 446 12.332 8.513 7.712 1.00 24.32 C ATOM 1301 O PRO A 446 12.489 9.629 8.221 1.00 32.15 O ATOM 1302 CB PRO A 446 13.934 6.738 8.453 1.00 34.41 C ATOM 1303 CG PRO A 446 13.948 5.794 7.307 1.00 71.43 C ATOM 1304 CD PRO A 446 12.607 5.127 7.315 1.00 60.22 C ATOM 0 HA PRO A 446 12.168 7.471 9.539 1.00 32.53 H new ATOM 0 HB2 PRO A 446 14.631 7.561 8.297 1.00 34.41 H new ATOM 0 HB3 PRO A 446 14.228 6.242 9.378 1.00 34.41 H new ATOM 0 HG2 PRO A 446 14.118 6.321 6.368 1.00 71.43 H new ATOM 0 HG3 PRO A 446 14.750 5.063 7.412 1.00 71.43 H new ATOM 0 HD2 PRO A 446 12.288 4.854 6.309 1.00 60.22 H new ATOM 0 HD3 PRO A 446 12.617 4.211 7.906 1.00 60.22 H new ATOM 1312 N ALA A 447 11.960 8.329 6.455 1.00 3.20 N ATOM 1313 CA ALA A 447 11.767 9.409 5.527 1.00 41.23 C ATOM 1314 C ALA A 447 10.471 10.134 5.810 1.00 14.11 C ATOM 1315 O ALA A 447 10.289 11.258 5.384 1.00 40.12 O ATOM 1316 CB ALA A 447 11.771 8.880 4.111 1.00 4.33 C ATOM 0 H ALA A 447 11.784 7.408 6.054 1.00 3.20 H new ATOM 0 HA ALA A 447 12.587 10.117 5.645 1.00 41.23 H new ATOM 0 HB1 ALA A 447 11.624 9.705 3.414 1.00 4.33 H new ATOM 0 HB2 ALA A 447 12.726 8.397 3.906 1.00 4.33 H new ATOM 0 HB3 ALA A 447 10.965 8.156 3.991 1.00 4.33 H new ATOM 1322 N ALA A 448 9.578 9.483 6.546 1.00 42.24 N ATOM 1323 CA ALA A 448 8.299 10.078 6.891 1.00 11.00 C ATOM 1324 C ALA A 448 8.362 10.596 8.300 1.00 41.20 C ATOM 1325 O ALA A 448 7.365 11.036 8.874 1.00 72.55 O ATOM 1326 CB ALA A 448 7.191 9.058 6.775 1.00 32.53 C ATOM 0 H ALA A 448 9.719 8.542 6.914 1.00 42.24 H new ATOM 0 HA ALA A 448 8.090 10.896 6.202 1.00 11.00 H new ATOM 0 HB1 ALA A 448 6.240 9.522 7.037 1.00 32.53 H new ATOM 0 HB2 ALA A 448 7.143 8.687 5.751 1.00 32.53 H new ATOM 0 HB3 ALA A 448 7.389 8.228 7.453 1.00 32.53 H new ATOM 1332 N CYS A 449 9.538 10.546 8.853 1.00 23.54 N ATOM 1333 CA CYS A 449 9.739 10.954 10.189 1.00 22.03 C ATOM 1334 C CYS A 449 10.393 12.314 10.192 1.00 11.41 C ATOM 1335 O CYS A 449 11.453 12.513 9.583 1.00 14.21 O ATOM 1336 CB CYS A 449 10.624 9.947 10.898 1.00 34.21 C ATOM 1337 SG CYS A 449 10.641 10.119 12.700 1.00 73.04 S ATOM 0 H CYS A 449 10.379 10.218 8.379 1.00 23.54 H new ATOM 0 HA CYS A 449 8.783 11.011 10.710 1.00 22.03 H new ATOM 0 HB2 CYS A 449 10.289 8.942 10.643 1.00 34.21 H new ATOM 0 HB3 CYS A 449 11.643 10.048 10.524 1.00 34.21 H new ATOM 1342 N SER A 450 9.742 13.254 10.801 1.00 23.54 N ATOM 1343 CA SER A 450 10.253 14.585 10.940 1.00 51.33 C ATOM 1344 C SER A 450 9.831 15.126 12.303 1.00 74.43 C ATOM 1345 O SER A 450 10.620 15.002 13.261 1.00 38.30 O ATOM 1346 CB SER A 450 9.753 15.479 9.788 1.00 33.02 C ATOM 1347 OG SER A 450 10.156 14.941 8.526 1.00 33.11 O ATOM 1348 OXT SER A 450 8.690 15.626 12.441 1.00 38.30 O ATOM 0 H SER A 450 8.824 13.118 11.224 1.00 23.54 H new ATOM 0 HA SER A 450 11.342 14.579 10.884 1.00 51.33 H new ATOM 0 HB2 SER A 450 8.667 15.558 9.826 1.00 33.02 H new ATOM 0 HB3 SER A 450 10.150 16.487 9.904 1.00 33.02 H new ATOM 0 HG SER A 450 10.122 15.645 7.845 1.00 33.11 H new TER 1354 SER A 450