USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 718 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 413 HIS : no HE2:sc= 0.447 K(o=1.7,f=-3.9!) USER MOD Set 1.2: A 415 SER OG : rot -15:sc= 1.25 USER MOD Set 2.1: A 374 TYR OH : rot 173:sc= -0.338 USER MOD Set 2.2: A 384 GLN : amide:sc= -1.01 K(o=-1.4,f=-0.38) USER MOD Set 3.1: A 381 ASN : amide:sc= 0.777 K(o=-1.5,f=-4.2!) USER MOD Set 3.2: A 391 ASN : amide:sc= -2.3! K(o=-1.5!,f=-4.2) USER MOD Set 4.1: A 365 THR OG1 : rot -89:sc= 1.05 USER MOD Set 4.2: A 426 ASN : amide:sc= -0.236! K(o=-0.13!,f=-2.6) USER MOD Set 4.3: A 443 MET CE :methyl 157:sc= -0.951 (180deg=-2.85!) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ -164:sc= 1.14 (180deg=0.985) USER MOD Single : A 363 MET CE :methyl -141:sc= -0.153 (180deg=-0.707) USER MOD Single : A 366 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.12) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 SER OG : rot 74:sc= 1.25 USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 398 ASN : amide:sc= -2.47! K(o=-2.5!,f=-1.7) USER MOD Single : A 401 LYS NZ :NH3+ 144:sc= 1.36 (180deg=1.04) USER MOD Single : A 402 TYR OH : rot 116:sc= -1.95! USER MOD Single : A 404 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 406 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.2) USER MOD Single : A 407 SER OG : rot -92:sc= 0.722 USER MOD Single : A 410 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= -0.0548 USER MOD Single : A 435 GLN : amide:sc= -0.671 K(o=-0.67,f=0) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 439 TYR OH : rot 180:sc= 0 USER MOD Single : A 442 LYS NZ :NH3+ -145:sc= 1.12 (180deg=0.912) USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 SER OG : rot 180:sc= -1.05 USER MOD Single : A 450 SER OG : rot 180:sc= -0.0104 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 357 -0.509 9.739 -0.534 1.00 41.31 N ATOM 2 CA TYR A 357 0.433 8.655 -0.781 1.00 64.54 C ATOM 3 C TYR A 357 0.589 8.354 -2.251 1.00 23.21 C ATOM 4 O TYR A 357 -0.381 8.030 -2.942 1.00 72.42 O ATOM 5 CB TYR A 357 0.042 7.368 -0.039 1.00 3.32 C ATOM 6 CG TYR A 357 0.285 7.381 1.451 1.00 45.05 C ATOM 7 CD1 TYR A 357 1.510 6.974 1.960 1.00 62.32 C ATOM 8 CD2 TYR A 357 -0.696 7.777 2.346 1.00 31.32 C ATOM 9 CE1 TYR A 357 1.753 6.960 3.313 1.00 3.21 C ATOM 10 CE2 TYR A 357 -0.460 7.769 3.710 1.00 12.11 C ATOM 11 CZ TYR A 357 0.767 7.358 4.185 1.00 23.32 C ATOM 12 OH TYR A 357 1.015 7.348 5.541 1.00 64.35 O ATOM 0 HA TYR A 357 1.390 9.007 -0.395 1.00 64.54 H new ATOM 0 HB2 TYR A 357 -1.016 7.174 -0.216 1.00 3.32 H new ATOM 0 HB3 TYR A 357 0.596 6.536 -0.473 1.00 3.32 H new ATOM 0 HD1 TYR A 357 2.288 6.662 1.279 1.00 62.32 H new ATOM 0 HD2 TYR A 357 -1.658 8.096 1.974 1.00 31.32 H new ATOM 0 HE1 TYR A 357 2.713 6.638 3.689 1.00 3.21 H new ATOM 0 HE2 TYR A 357 -1.232 8.083 4.397 1.00 12.11 H new ATOM 0 HH TYR A 357 0.219 7.658 6.021 1.00 64.35 H new ATOM 24 N ARG A 358 1.804 8.486 -2.715 1.00 61.44 N ATOM 25 CA ARG A 358 2.224 8.093 -4.040 1.00 71.05 C ATOM 26 C ARG A 358 3.569 7.447 -3.886 1.00 4.13 C ATOM 27 O ARG A 358 4.600 8.065 -4.165 1.00 43.44 O ATOM 28 CB ARG A 358 2.326 9.282 -5.010 1.00 25.20 C ATOM 29 CG ARG A 358 1.016 9.946 -5.364 1.00 55.40 C ATOM 30 CD ARG A 358 1.250 11.144 -6.263 1.00 2.23 C ATOM 31 NE ARG A 358 -0.002 11.751 -6.700 1.00 72.44 N ATOM 32 CZ ARG A 358 -0.127 12.992 -7.192 1.00 1.13 C ATOM 33 NH1 ARG A 358 0.927 13.814 -7.246 1.00 31.31 N ATOM 34 NH2 ARG A 358 -1.309 13.413 -7.611 1.00 52.54 N ATOM 0 H ARG A 358 2.560 8.886 -2.160 1.00 61.44 H new ATOM 0 HA ARG A 358 1.484 7.417 -4.468 1.00 71.05 H new ATOM 0 HB2 ARG A 358 2.986 10.031 -4.572 1.00 25.20 H new ATOM 0 HB3 ARG A 358 2.800 8.939 -5.930 1.00 25.20 H new ATOM 0 HG2 ARG A 358 0.363 9.231 -5.865 1.00 55.40 H new ATOM 0 HG3 ARG A 358 0.505 10.262 -4.455 1.00 55.40 H new ATOM 0 HD2 ARG A 358 1.846 11.885 -5.731 1.00 2.23 H new ATOM 0 HD3 ARG A 358 1.827 10.836 -7.135 1.00 2.23 H new ATOM 0 HE ARG A 358 -0.849 11.187 -6.626 1.00 72.44 H new ATOM 0 HH11 ARG A 358 1.837 13.499 -6.911 1.00 31.31 H new ATOM 0 HH12 ARG A 358 0.820 14.756 -7.622 1.00 31.31 H new ATOM 0 HH21 ARG A 358 -2.119 12.795 -7.559 1.00 52.54 H new ATOM 0 HH22 ARG A 358 -1.411 14.356 -7.986 1.00 52.54 H new ATOM 48 N ALA A 359 3.546 6.225 -3.342 1.00 4.33 N ATOM 49 CA ALA A 359 4.745 5.475 -2.968 1.00 43.14 C ATOM 50 C ALA A 359 5.461 6.206 -1.831 1.00 21.42 C ATOM 51 O ALA A 359 4.922 7.175 -1.267 1.00 42.01 O ATOM 52 CB ALA A 359 5.676 5.241 -4.166 1.00 30.41 C ATOM 0 H ALA A 359 2.679 5.724 -3.147 1.00 4.33 H new ATOM 0 HA ALA A 359 4.444 4.486 -2.623 1.00 43.14 H new ATOM 0 HB1 ALA A 359 6.553 4.681 -3.841 1.00 30.41 H new ATOM 0 HB2 ALA A 359 5.147 4.675 -4.933 1.00 30.41 H new ATOM 0 HB3 ALA A 359 5.990 6.201 -4.576 1.00 30.41 H new ATOM 58 N ILE A 360 6.623 5.750 -1.454 1.00 44.24 N ATOM 59 CA ILE A 360 7.341 6.439 -0.418 1.00 10.34 C ATOM 60 C ILE A 360 8.213 7.524 -1.014 1.00 42.25 C ATOM 61 O ILE A 360 9.167 7.256 -1.760 1.00 52.51 O ATOM 62 CB ILE A 360 8.178 5.490 0.530 1.00 74.40 C ATOM 63 CG1 ILE A 360 7.267 4.639 1.451 1.00 52.23 C ATOM 64 CG2 ILE A 360 9.170 6.283 1.378 1.00 70.01 C ATOM 65 CD1 ILE A 360 6.366 3.651 0.753 1.00 1.25 C ATOM 0 H ILE A 360 7.084 4.925 -1.837 1.00 44.24 H new ATOM 0 HA ILE A 360 6.586 6.892 0.225 1.00 10.34 H new ATOM 0 HB ILE A 360 8.732 4.814 -0.122 1.00 74.40 H new ATOM 0 HG12 ILE A 360 7.899 4.093 2.152 1.00 52.23 H new ATOM 0 HG13 ILE A 360 6.647 5.314 2.041 1.00 52.23 H new ATOM 0 HG21 ILE A 360 9.729 5.600 2.018 1.00 70.01 H new ATOM 0 HG22 ILE A 360 9.861 6.817 0.726 1.00 70.01 H new ATOM 0 HG23 ILE A 360 8.629 6.999 1.997 1.00 70.01 H new ATOM 0 HD11 ILE A 360 5.775 3.112 1.493 1.00 1.25 H new ATOM 0 HD12 ILE A 360 5.700 4.183 0.074 1.00 1.25 H new ATOM 0 HD13 ILE A 360 6.972 2.943 0.187 1.00 1.25 H new ATOM 77 N LYS A 361 7.875 8.731 -0.679 1.00 62.32 N ATOM 78 CA LYS A 361 8.593 9.898 -1.085 1.00 32.04 C ATOM 79 C LYS A 361 9.182 10.521 0.142 1.00 73.24 C ATOM 80 O LYS A 361 8.525 10.578 1.178 1.00 50.43 O ATOM 81 CB LYS A 361 7.654 10.901 -1.766 1.00 30.22 C ATOM 82 CG LYS A 361 7.031 10.415 -3.067 1.00 4.24 C ATOM 83 CD LYS A 361 6.063 11.450 -3.618 1.00 11.52 C ATOM 84 CE LYS A 361 5.477 11.040 -4.963 1.00 3.35 C ATOM 85 NZ LYS A 361 6.492 11.001 -6.027 1.00 33.24 N ATOM 0 H LYS A 361 7.064 8.937 -0.096 1.00 62.32 H new ATOM 0 HA LYS A 361 9.372 9.624 -1.797 1.00 32.04 H new ATOM 0 HB2 LYS A 361 6.854 11.158 -1.071 1.00 30.22 H new ATOM 0 HB3 LYS A 361 8.209 11.818 -1.966 1.00 30.22 H new ATOM 0 HG2 LYS A 361 7.814 10.216 -3.799 1.00 4.24 H new ATOM 0 HG3 LYS A 361 6.507 9.474 -2.896 1.00 4.24 H new ATOM 0 HD2 LYS A 361 5.254 11.603 -2.904 1.00 11.52 H new ATOM 0 HD3 LYS A 361 6.578 12.404 -3.725 1.00 11.52 H new ATOM 0 HE2 LYS A 361 5.013 10.058 -4.870 1.00 3.35 H new ATOM 0 HE3 LYS A 361 4.689 11.740 -5.242 1.00 3.35 H new ATOM 0 HZ1 LYS A 361 6.022 10.987 -6.955 1.00 33.24 H new ATOM 0 HZ2 LYS A 361 7.099 11.843 -5.959 1.00 33.24 H new ATOM 0 HZ3 LYS A 361 7.074 10.145 -5.921 1.00 33.24 H new ATOM 99 N GLY A 362 10.400 10.958 0.057 1.00 34.32 N ATOM 100 CA GLY A 362 11.008 11.573 1.199 1.00 0.12 C ATOM 101 C GLY A 362 10.911 13.049 1.114 1.00 40.12 C ATOM 102 O GLY A 362 10.337 13.710 1.976 1.00 54.32 O ATOM 0 H GLY A 362 10.986 10.903 -0.776 1.00 34.32 H new ATOM 0 HA2 GLY A 362 10.520 11.224 2.109 1.00 0.12 H new ATOM 0 HA3 GLY A 362 12.055 11.276 1.264 1.00 0.12 H new ATOM 106 N MET A 363 11.456 13.554 0.065 1.00 12.51 N ATOM 107 CA MET A 363 11.463 14.949 -0.229 1.00 30.52 C ATOM 108 C MET A 363 11.314 15.033 -1.713 1.00 3.45 C ATOM 109 O MET A 363 11.382 14.006 -2.384 1.00 62.31 O ATOM 110 CB MET A 363 12.829 15.576 0.148 1.00 24.25 C ATOM 111 CG MET A 363 13.263 15.391 1.603 1.00 33.34 C ATOM 112 SD MET A 363 14.880 16.142 1.963 1.00 41.51 S ATOM 113 CE MET A 363 15.943 15.254 0.817 1.00 33.00 C ATOM 0 H MET A 363 11.928 12.989 -0.641 1.00 12.51 H new ATOM 0 HA MET A 363 10.679 15.471 0.320 1.00 30.52 H new ATOM 0 HB2 MET A 363 13.595 15.148 -0.498 1.00 24.25 H new ATOM 0 HB3 MET A 363 12.790 16.644 -0.068 1.00 24.25 H new ATOM 0 HG2 MET A 363 12.511 15.829 2.259 1.00 33.34 H new ATOM 0 HG3 MET A 363 13.304 14.326 1.832 1.00 33.34 H new ATOM 0 HE1 MET A 363 16.897 15.038 1.298 1.00 33.00 H new ATOM 0 HE2 MET A 363 15.464 14.319 0.526 1.00 33.00 H new ATOM 0 HE3 MET A 363 16.114 15.865 -0.069 1.00 33.00 H new ATOM 123 N GLU A 364 11.094 16.189 -2.221 1.00 13.43 N ATOM 124 CA GLU A 364 11.140 16.389 -3.631 1.00 51.35 C ATOM 125 C GLU A 364 11.888 17.652 -3.917 1.00 21.32 C ATOM 126 O GLU A 364 11.311 18.718 -4.171 1.00 22.13 O ATOM 127 CB GLU A 364 9.770 16.309 -4.341 1.00 51.33 C ATOM 128 CG GLU A 364 8.702 17.254 -3.821 1.00 24.21 C ATOM 129 CD GLU A 364 7.447 17.183 -4.641 1.00 73.14 C ATOM 130 OE1 GLU A 364 6.603 16.296 -4.392 1.00 31.33 O ATOM 131 OE2 GLU A 364 7.277 18.020 -5.566 1.00 12.03 O ATOM 0 H GLU A 364 10.877 17.025 -1.678 1.00 13.43 H new ATOM 0 HA GLU A 364 11.680 15.548 -4.068 1.00 51.35 H new ATOM 0 HB2 GLU A 364 9.919 16.508 -5.402 1.00 51.33 H new ATOM 0 HB3 GLU A 364 9.397 15.288 -4.257 1.00 51.33 H new ATOM 0 HG2 GLU A 364 8.473 17.008 -2.784 1.00 24.21 H new ATOM 0 HG3 GLU A 364 9.084 18.275 -3.830 1.00 24.21 H new ATOM 138 N THR A 365 13.173 17.560 -3.776 1.00 12.35 N ATOM 139 CA THR A 365 14.014 18.675 -3.971 1.00 73.42 C ATOM 140 C THR A 365 14.140 18.898 -5.460 1.00 53.10 C ATOM 141 O THR A 365 14.547 17.999 -6.193 1.00 64.14 O ATOM 142 CB THR A 365 15.387 18.415 -3.369 1.00 35.03 C ATOM 143 OG1 THR A 365 15.223 17.732 -2.106 1.00 64.02 O ATOM 144 CG2 THR A 365 16.063 19.744 -3.102 1.00 15.33 C ATOM 0 H THR A 365 13.660 16.701 -3.521 1.00 12.35 H new ATOM 0 HA THR A 365 13.593 19.554 -3.483 1.00 73.42 H new ATOM 0 HB THR A 365 15.983 17.812 -4.054 1.00 35.03 H new ATOM 0 HG1 THR A 365 15.131 18.392 -1.387 1.00 64.02 H new ATOM 0 HG21 THR A 365 17.049 19.571 -2.670 1.00 15.33 H new ATOM 0 HG22 THR A 365 16.168 20.293 -4.038 1.00 15.33 H new ATOM 0 HG23 THR A 365 15.459 20.326 -2.406 1.00 15.33 H new ATOM 152 N LYS A 366 13.762 20.057 -5.907 1.00 11.31 N ATOM 153 CA LYS A 366 13.740 20.351 -7.298 1.00 34.21 C ATOM 154 C LYS A 366 14.545 21.557 -7.564 1.00 73.21 C ATOM 155 O LYS A 366 14.441 22.561 -6.844 1.00 1.04 O ATOM 156 CB LYS A 366 12.298 20.507 -7.768 1.00 65.04 C ATOM 157 CG LYS A 366 11.534 19.209 -7.628 1.00 73.02 C ATOM 158 CD LYS A 366 10.040 19.333 -7.888 1.00 13.21 C ATOM 159 CE LYS A 366 9.365 20.250 -6.876 1.00 53.02 C ATOM 160 NZ LYS A 366 7.889 20.228 -6.998 1.00 44.23 N ATOM 0 H LYS A 366 13.459 20.826 -5.309 1.00 11.31 H new ATOM 0 HA LYS A 366 14.182 19.530 -7.862 1.00 34.21 H new ATOM 0 HB2 LYS A 366 11.806 21.287 -7.187 1.00 65.04 H new ATOM 0 HB3 LYS A 366 12.285 20.829 -8.809 1.00 65.04 H new ATOM 0 HG2 LYS A 366 11.952 18.478 -8.320 1.00 73.02 H new ATOM 0 HG3 LYS A 366 11.685 18.818 -6.622 1.00 73.02 H new ATOM 0 HD2 LYS A 366 9.877 19.719 -8.894 1.00 13.21 H new ATOM 0 HD3 LYS A 366 9.581 18.345 -7.847 1.00 13.21 H new ATOM 0 HE2 LYS A 366 9.649 19.947 -5.868 1.00 53.02 H new ATOM 0 HE3 LYS A 366 9.724 21.270 -7.016 1.00 53.02 H new ATOM 0 HZ1 LYS A 366 7.477 20.928 -6.349 1.00 44.23 H new ATOM 0 HZ2 LYS A 366 7.618 20.460 -7.975 1.00 44.23 H new ATOM 0 HZ3 LYS A 366 7.535 19.281 -6.756 1.00 44.23 H new ATOM 174 N ARG A 367 15.367 21.476 -8.549 1.00 30.12 N ATOM 175 CA ARG A 367 16.220 22.560 -8.880 1.00 15.05 C ATOM 176 C ARG A 367 16.475 22.488 -10.368 1.00 21.44 C ATOM 177 O ARG A 367 16.525 21.398 -10.924 1.00 53.00 O ATOM 178 CB ARG A 367 17.551 22.393 -8.161 1.00 73.32 C ATOM 179 CG ARG A 367 18.407 23.635 -8.095 1.00 31.43 C ATOM 180 CD ARG A 367 17.929 24.543 -6.990 1.00 11.31 C ATOM 181 NE ARG A 367 18.647 25.831 -6.975 1.00 22.44 N ATOM 182 CZ ARG A 367 19.315 26.347 -5.924 1.00 30.03 C ATOM 183 NH1 ARG A 367 19.466 25.642 -4.805 1.00 13.24 N ATOM 184 NH2 ARG A 367 19.845 27.559 -6.019 1.00 43.44 N ATOM 0 H ARG A 367 15.467 20.656 -9.148 1.00 30.12 H new ATOM 0 HA ARG A 367 15.765 23.508 -8.593 1.00 15.05 H new ATOM 0 HB2 ARG A 367 17.356 22.051 -7.145 1.00 73.32 H new ATOM 0 HB3 ARG A 367 18.118 21.606 -8.659 1.00 73.32 H new ATOM 0 HG2 ARG A 367 19.447 23.359 -7.923 1.00 31.43 H new ATOM 0 HG3 ARG A 367 18.370 24.161 -9.049 1.00 31.43 H new ATOM 0 HD2 ARG A 367 16.861 24.726 -7.109 1.00 11.31 H new ATOM 0 HD3 ARG A 367 18.062 24.044 -6.030 1.00 11.31 H new ATOM 0 HE ARG A 367 18.637 26.379 -7.835 1.00 22.44 H new ATOM 0 HH11 ARG A 367 19.075 24.703 -4.737 1.00 13.24 H new ATOM 0 HH12 ARG A 367 19.973 26.041 -4.015 1.00 13.24 H new ATOM 0 HH21 ARG A 367 19.745 28.093 -6.882 1.00 43.44 H new ATOM 0 HH22 ARG A 367 20.352 27.957 -5.229 1.00 43.44 H new ATOM 198 N GLU A 368 16.636 23.598 -11.009 1.00 64.43 N ATOM 199 CA GLU A 368 16.901 23.592 -12.415 1.00 51.52 C ATOM 200 C GLU A 368 18.400 23.735 -12.692 1.00 52.13 C ATOM 201 O GLU A 368 19.007 24.769 -12.400 1.00 2.20 O ATOM 202 CB GLU A 368 16.066 24.671 -13.110 1.00 44.43 C ATOM 203 CG GLU A 368 16.259 26.076 -12.562 1.00 34.24 C ATOM 204 CD GLU A 368 15.317 27.066 -13.168 1.00 31.15 C ATOM 205 OE1 GLU A 368 14.201 27.233 -12.634 1.00 71.40 O ATOM 206 OE2 GLU A 368 15.673 27.700 -14.185 1.00 13.21 O ATOM 0 H GLU A 368 16.589 24.524 -10.584 1.00 64.43 H new ATOM 0 HA GLU A 368 16.603 22.630 -12.832 1.00 51.52 H new ATOM 0 HB2 GLU A 368 16.312 24.673 -14.172 1.00 44.43 H new ATOM 0 HB3 GLU A 368 15.012 24.405 -13.027 1.00 44.43 H new ATOM 0 HG2 GLU A 368 16.119 26.062 -11.481 1.00 34.24 H new ATOM 0 HG3 GLU A 368 17.284 26.396 -12.747 1.00 34.24 H new ATOM 213 N ILE A 369 19.003 22.673 -13.190 1.00 1.33 N ATOM 214 CA ILE A 369 20.407 22.700 -13.562 1.00 2.11 C ATOM 215 C ILE A 369 20.532 22.348 -15.044 1.00 21.42 C ATOM 216 O ILE A 369 19.925 21.389 -15.503 1.00 32.42 O ATOM 217 CB ILE A 369 21.322 21.701 -12.729 1.00 22.23 C ATOM 218 CG1 ILE A 369 21.343 21.983 -11.212 1.00 73.30 C ATOM 219 CG2 ILE A 369 22.736 21.689 -13.252 1.00 43.20 C ATOM 220 CD1 ILE A 369 20.090 21.608 -10.476 1.00 64.45 C ATOM 0 H ILE A 369 18.542 21.777 -13.347 1.00 1.33 H new ATOM 0 HA ILE A 369 20.762 23.707 -13.344 1.00 2.11 H new ATOM 0 HB ILE A 369 20.863 20.722 -12.866 1.00 22.23 H new ATOM 0 HG12 ILE A 369 22.181 21.444 -10.770 1.00 73.30 H new ATOM 0 HG13 ILE A 369 21.531 23.046 -11.059 1.00 73.30 H new ATOM 0 HG21 ILE A 369 23.336 20.997 -12.662 1.00 43.20 H new ATOM 0 HG22 ILE A 369 22.736 21.371 -14.295 1.00 43.20 H new ATOM 0 HG23 ILE A 369 23.160 22.691 -13.178 1.00 43.20 H new ATOM 0 HD11 ILE A 369 20.205 21.845 -9.418 1.00 64.45 H new ATOM 0 HD12 ILE A 369 19.247 22.166 -10.884 1.00 64.45 H new ATOM 0 HD13 ILE A 369 19.907 20.540 -10.591 1.00 64.45 H new ATOM 232 N GLY A 370 21.295 23.134 -15.780 1.00 71.24 N ATOM 233 CA GLY A 370 21.540 22.864 -17.190 1.00 21.31 C ATOM 234 C GLY A 370 20.286 22.894 -18.048 1.00 71.42 C ATOM 235 O GLY A 370 20.197 22.185 -19.043 1.00 34.22 O ATOM 0 H GLY A 370 21.760 23.970 -15.425 1.00 71.24 H new ATOM 0 HA2 GLY A 370 22.248 23.598 -17.573 1.00 21.31 H new ATOM 0 HA3 GLY A 370 22.011 21.886 -17.286 1.00 21.31 H new ATOM 239 N GLY A 371 19.316 23.689 -17.650 1.00 12.51 N ATOM 240 CA GLY A 371 18.094 23.834 -18.419 1.00 60.41 C ATOM 241 C GLY A 371 17.031 22.821 -18.043 1.00 74.24 C ATOM 242 O GLY A 371 15.860 22.984 -18.378 1.00 1.20 O ATOM 0 H GLY A 371 19.348 24.247 -16.797 1.00 12.51 H new ATOM 0 HA2 GLY A 371 17.697 24.839 -18.274 1.00 60.41 H new ATOM 0 HA3 GLY A 371 18.325 23.733 -19.479 1.00 60.41 H new ATOM 246 N TYR A 372 17.422 21.791 -17.341 1.00 75.31 N ATOM 247 CA TYR A 372 16.501 20.759 -16.936 1.00 43.22 C ATOM 248 C TYR A 372 16.325 20.677 -15.430 1.00 75.22 C ATOM 249 O TYR A 372 17.238 20.951 -14.660 1.00 61.12 O ATOM 250 CB TYR A 372 16.790 19.395 -17.608 1.00 51.32 C ATOM 251 CG TYR A 372 18.254 19.092 -17.875 1.00 14.32 C ATOM 252 CD1 TYR A 372 19.120 18.762 -16.861 1.00 3.31 C ATOM 253 CD2 TYR A 372 18.755 19.123 -19.176 1.00 71.34 C ATOM 254 CE1 TYR A 372 20.447 18.474 -17.121 1.00 61.45 C ATOM 255 CE2 TYR A 372 20.080 18.838 -19.442 1.00 73.44 C ATOM 256 CZ TYR A 372 20.920 18.512 -18.406 1.00 72.32 C ATOM 257 OH TYR A 372 22.242 18.213 -18.654 1.00 24.42 O ATOM 0 H TYR A 372 18.383 21.642 -17.034 1.00 75.31 H new ATOM 0 HA TYR A 372 15.525 21.060 -17.316 1.00 43.22 H new ATOM 0 HB2 TYR A 372 16.384 18.605 -16.976 1.00 51.32 H new ATOM 0 HB3 TYR A 372 16.251 19.355 -18.554 1.00 51.32 H new ATOM 0 HD1 TYR A 372 18.758 18.727 -15.844 1.00 3.31 H new ATOM 0 HD2 TYR A 372 18.094 19.375 -19.992 1.00 71.34 H new ATOM 0 HE1 TYR A 372 21.112 18.219 -16.309 1.00 61.45 H new ATOM 0 HE2 TYR A 372 20.452 18.871 -20.455 1.00 73.44 H new ATOM 0 HH TYR A 372 22.419 18.284 -19.615 1.00 24.42 H new ATOM 267 N THR A 373 15.147 20.301 -15.024 1.00 14.12 N ATOM 268 CA THR A 373 14.788 20.302 -13.639 1.00 0.40 C ATOM 269 C THR A 373 15.102 18.976 -12.989 1.00 75.23 C ATOM 270 O THR A 373 14.547 17.943 -13.350 1.00 15.20 O ATOM 271 CB THR A 373 13.291 20.636 -13.457 1.00 55.41 C ATOM 272 OG1 THR A 373 13.016 21.932 -14.034 1.00 21.35 O ATOM 273 CG2 THR A 373 12.907 20.651 -11.978 1.00 30.40 C ATOM 0 H THR A 373 14.406 19.984 -15.649 1.00 14.12 H new ATOM 0 HA THR A 373 15.382 21.074 -13.150 1.00 0.40 H new ATOM 0 HB THR A 373 12.704 19.867 -13.959 1.00 55.41 H new ATOM 0 HG1 THR A 373 12.066 22.145 -13.921 1.00 21.35 H new ATOM 0 HG21 THR A 373 11.848 20.889 -11.879 1.00 30.40 H new ATOM 0 HG22 THR A 373 13.101 19.671 -11.542 1.00 30.40 H new ATOM 0 HG23 THR A 373 13.498 21.404 -11.456 1.00 30.40 H new ATOM 281 N TYR A 374 15.976 19.022 -12.048 1.00 72.43 N ATOM 282 CA TYR A 374 16.354 17.886 -11.290 1.00 34.43 C ATOM 283 C TYR A 374 15.416 17.721 -10.132 1.00 22.33 C ATOM 284 O TYR A 374 15.179 18.666 -9.383 1.00 74.43 O ATOM 285 CB TYR A 374 17.784 18.038 -10.788 1.00 65.52 C ATOM 286 CG TYR A 374 18.840 17.817 -11.829 1.00 21.51 C ATOM 287 CD1 TYR A 374 19.180 18.800 -12.740 1.00 64.33 C ATOM 288 CD2 TYR A 374 19.507 16.607 -11.891 1.00 63.14 C ATOM 289 CE1 TYR A 374 20.158 18.577 -13.680 1.00 21.23 C ATOM 290 CE2 TYR A 374 20.484 16.384 -12.826 1.00 63.30 C ATOM 291 CZ TYR A 374 20.804 17.365 -13.715 1.00 30.12 C ATOM 292 OH TYR A 374 21.787 17.137 -14.644 1.00 33.14 O ATOM 0 H TYR A 374 16.462 19.877 -11.777 1.00 72.43 H new ATOM 0 HA TYR A 374 16.302 17.001 -11.924 1.00 34.43 H new ATOM 0 HB2 TYR A 374 17.905 19.039 -10.374 1.00 65.52 H new ATOM 0 HB3 TYR A 374 17.945 17.334 -9.972 1.00 65.52 H new ATOM 0 HD1 TYR A 374 18.672 19.753 -12.713 1.00 64.33 H new ATOM 0 HD2 TYR A 374 19.254 15.825 -11.191 1.00 63.14 H new ATOM 0 HE1 TYR A 374 20.417 19.351 -14.387 1.00 21.23 H new ATOM 0 HE2 TYR A 374 20.998 15.435 -12.858 1.00 63.30 H new ATOM 0 HH TYR A 374 22.219 16.277 -14.459 1.00 33.14 H new ATOM 302 N LYS A 375 14.860 16.549 -10.007 1.00 5.35 N ATOM 303 CA LYS A 375 13.977 16.250 -8.916 1.00 5.24 C ATOM 304 C LYS A 375 14.584 15.133 -8.120 1.00 13.13 C ATOM 305 O LYS A 375 14.846 14.067 -8.664 1.00 22.25 O ATOM 306 CB LYS A 375 12.620 15.772 -9.451 1.00 1.50 C ATOM 307 CG LYS A 375 11.589 15.487 -8.355 1.00 72.21 C ATOM 308 CD LYS A 375 10.332 14.803 -8.896 1.00 22.24 C ATOM 309 CE LYS A 375 9.663 15.597 -10.007 1.00 60.01 C ATOM 310 NZ LYS A 375 8.423 14.938 -10.504 1.00 61.21 N ATOM 0 H LYS A 375 15.006 15.776 -10.657 1.00 5.35 H new ATOM 0 HA LYS A 375 13.834 17.143 -8.307 1.00 5.24 H new ATOM 0 HB2 LYS A 375 12.219 16.528 -10.126 1.00 1.50 H new ATOM 0 HB3 LYS A 375 12.770 14.867 -10.040 1.00 1.50 H new ATOM 0 HG2 LYS A 375 12.042 14.856 -7.590 1.00 72.21 H new ATOM 0 HG3 LYS A 375 11.310 16.423 -7.871 1.00 72.21 H new ATOM 0 HD2 LYS A 375 10.594 13.813 -9.270 1.00 22.24 H new ATOM 0 HD3 LYS A 375 9.623 14.658 -8.081 1.00 22.24 H new ATOM 0 HE2 LYS A 375 9.420 16.595 -9.642 1.00 60.01 H new ATOM 0 HE3 LYS A 375 10.362 15.721 -10.834 1.00 60.01 H new ATOM 0 HZ1 LYS A 375 8.002 15.515 -11.260 1.00 61.21 H new ATOM 0 HZ2 LYS A 375 8.656 13.996 -10.877 1.00 61.21 H new ATOM 0 HZ3 LYS A 375 7.744 14.842 -9.722 1.00 61.21 H new ATOM 324 N VAL A 376 14.783 15.353 -6.859 1.00 13.14 N ATOM 325 CA VAL A 376 15.324 14.340 -5.997 1.00 54.43 C ATOM 326 C VAL A 376 14.270 13.921 -5.002 1.00 65.32 C ATOM 327 O VAL A 376 13.932 14.680 -4.090 1.00 14.01 O ATOM 328 CB VAL A 376 16.593 14.832 -5.238 1.00 1.54 C ATOM 329 CG1 VAL A 376 17.171 13.727 -4.354 1.00 3.42 C ATOM 330 CG2 VAL A 376 17.645 15.339 -6.215 1.00 2.51 C ATOM 0 H VAL A 376 14.577 16.237 -6.394 1.00 13.14 H new ATOM 0 HA VAL A 376 15.621 13.495 -6.618 1.00 54.43 H new ATOM 0 HB VAL A 376 16.295 15.659 -4.593 1.00 1.54 H new ATOM 0 HG11 VAL A 376 18.055 14.100 -3.837 1.00 3.42 H new ATOM 0 HG12 VAL A 376 16.425 13.420 -3.621 1.00 3.42 H new ATOM 0 HG13 VAL A 376 17.445 12.872 -4.972 1.00 3.42 H new ATOM 0 HG21 VAL A 376 18.522 15.677 -5.663 1.00 2.51 H new ATOM 0 HG22 VAL A 376 17.931 14.534 -6.892 1.00 2.51 H new ATOM 0 HG23 VAL A 376 17.237 16.169 -6.791 1.00 2.51 H new ATOM 340 N VAL A 377 13.721 12.731 -5.195 1.00 12.42 N ATOM 341 CA VAL A 377 12.722 12.217 -4.282 1.00 23.43 C ATOM 342 C VAL A 377 13.418 11.498 -3.133 1.00 0.34 C ATOM 343 O VAL A 377 12.810 11.178 -2.078 1.00 22.45 O ATOM 344 CB VAL A 377 11.756 11.265 -4.983 1.00 22.21 C ATOM 345 CG1 VAL A 377 10.620 10.889 -4.038 1.00 1.31 C ATOM 346 CG2 VAL A 377 11.216 11.898 -6.257 1.00 1.23 C ATOM 0 H VAL A 377 13.951 12.110 -5.971 1.00 12.42 H new ATOM 0 HA VAL A 377 12.139 13.056 -3.902 1.00 23.43 H new ATOM 0 HB VAL A 377 12.291 10.357 -5.260 1.00 22.21 H new ATOM 0 HG11 VAL A 377 9.935 10.210 -4.545 1.00 1.31 H new ATOM 0 HG12 VAL A 377 11.029 10.399 -3.154 1.00 1.31 H new ATOM 0 HG13 VAL A 377 10.083 11.789 -3.738 1.00 1.31 H new ATOM 0 HG21 VAL A 377 10.529 11.206 -6.744 1.00 1.23 H new ATOM 0 HG22 VAL A 377 10.689 12.819 -6.010 1.00 1.23 H new ATOM 0 HG23 VAL A 377 12.043 12.123 -6.931 1.00 1.23 H new ATOM 356 N PHE A 378 14.698 11.235 -3.360 1.00 10.01 N ATOM 357 CA PHE A 378 15.622 10.635 -2.404 1.00 23.50 C ATOM 358 C PHE A 378 15.368 9.121 -2.265 1.00 61.53 C ATOM 359 O PHE A 378 16.238 8.323 -2.507 1.00 43.33 O ATOM 360 CB PHE A 378 15.548 11.383 -1.042 1.00 65.23 C ATOM 361 CG PHE A 378 16.739 11.222 -0.147 1.00 74.04 C ATOM 362 CD1 PHE A 378 17.949 11.796 -0.495 1.00 43.40 C ATOM 363 CD2 PHE A 378 16.648 10.544 1.049 1.00 1.41 C ATOM 364 CE1 PHE A 378 19.045 11.692 0.329 1.00 22.43 C ATOM 365 CE2 PHE A 378 17.743 10.432 1.880 1.00 73.40 C ATOM 366 CZ PHE A 378 18.943 11.009 1.521 1.00 54.20 C ATOM 0 H PHE A 378 15.141 11.443 -4.255 1.00 10.01 H new ATOM 0 HA PHE A 378 16.640 10.743 -2.778 1.00 23.50 H new ATOM 0 HB2 PHE A 378 15.406 12.446 -1.239 1.00 65.23 H new ATOM 0 HB3 PHE A 378 14.664 11.037 -0.506 1.00 65.23 H new ATOM 0 HD1 PHE A 378 18.034 12.334 -1.428 1.00 43.40 H new ATOM 0 HD2 PHE A 378 15.709 10.096 1.339 1.00 1.41 H new ATOM 0 HE1 PHE A 378 19.983 12.144 0.043 1.00 22.43 H new ATOM 0 HE2 PHE A 378 17.661 9.892 2.812 1.00 73.40 H new ATOM 0 HZ PHE A 378 19.800 10.926 2.172 1.00 54.20 H new ATOM 376 N TYR A 379 14.161 8.746 -1.928 1.00 63.22 N ATOM 377 CA TYR A 379 13.838 7.334 -1.735 1.00 43.13 C ATOM 378 C TYR A 379 13.336 6.691 -3.013 1.00 71.34 C ATOM 379 O TYR A 379 13.391 5.469 -3.175 1.00 21.00 O ATOM 380 CB TYR A 379 12.843 7.161 -0.601 1.00 23.34 C ATOM 381 CG TYR A 379 13.377 7.671 0.712 1.00 45.30 C ATOM 382 CD1 TYR A 379 14.102 6.850 1.557 1.00 24.23 C ATOM 383 CD2 TYR A 379 13.169 8.976 1.094 1.00 65.34 C ATOM 384 CE1 TYR A 379 14.601 7.323 2.750 1.00 2.41 C ATOM 385 CE2 TYR A 379 13.662 9.460 2.281 1.00 61.51 C ATOM 386 CZ TYR A 379 14.380 8.627 3.106 1.00 64.33 C ATOM 387 OH TYR A 379 14.870 9.101 4.300 1.00 0.30 O ATOM 0 H TYR A 379 13.381 9.386 -1.779 1.00 63.22 H new ATOM 0 HA TYR A 379 14.759 6.819 -1.460 1.00 43.13 H new ATOM 0 HB2 TYR A 379 11.922 7.689 -0.846 1.00 23.34 H new ATOM 0 HB3 TYR A 379 12.589 6.106 -0.502 1.00 23.34 H new ATOM 0 HD1 TYR A 379 14.279 5.822 1.277 1.00 24.23 H new ATOM 0 HD2 TYR A 379 12.607 9.633 0.447 1.00 65.34 H new ATOM 0 HE1 TYR A 379 15.163 6.670 3.401 1.00 2.41 H new ATOM 0 HE2 TYR A 379 13.487 10.487 2.564 1.00 61.51 H new ATOM 0 HH TYR A 379 14.628 10.045 4.401 1.00 0.30 H new ATOM 397 N GLU A 380 12.837 7.501 -3.916 1.00 62.22 N ATOM 398 CA GLU A 380 12.412 6.992 -5.193 1.00 41.34 C ATOM 399 C GLU A 380 13.554 7.001 -6.185 1.00 60.31 C ATOM 400 O GLU A 380 14.124 5.951 -6.509 1.00 22.14 O ATOM 401 CB GLU A 380 11.204 7.751 -5.776 1.00 20.14 C ATOM 402 CG GLU A 380 9.886 7.513 -5.081 1.00 41.22 C ATOM 403 CD GLU A 380 8.722 8.115 -5.852 1.00 61.14 C ATOM 404 OE1 GLU A 380 8.503 9.333 -5.777 1.00 11.41 O ATOM 405 OE2 GLU A 380 8.017 7.370 -6.562 1.00 61.52 O ATOM 0 H GLU A 380 12.717 8.506 -3.790 1.00 62.22 H new ATOM 0 HA GLU A 380 12.091 5.965 -5.016 1.00 41.34 H new ATOM 0 HB2 GLU A 380 11.421 8.819 -5.748 1.00 20.14 H new ATOM 0 HB3 GLU A 380 11.096 7.475 -6.825 1.00 20.14 H new ATOM 0 HG2 GLU A 380 9.727 6.441 -4.962 1.00 41.22 H new ATOM 0 HG3 GLU A 380 9.920 7.944 -4.080 1.00 41.22 H new ATOM 412 N ASN A 381 13.904 8.186 -6.644 1.00 12.33 N ATOM 413 CA ASN A 381 14.897 8.369 -7.686 1.00 3.42 C ATOM 414 C ASN A 381 15.104 9.845 -7.965 1.00 32.52 C ATOM 415 O ASN A 381 14.615 10.707 -7.198 1.00 5.00 O ATOM 416 CB ASN A 381 14.460 7.625 -8.969 1.00 75.33 C ATOM 417 CG ASN A 381 13.037 7.905 -9.366 1.00 32.11 C ATOM 418 OD1 ASN A 381 12.503 8.978 -9.132 1.00 12.35 O ATOM 419 ND2 ASN A 381 12.402 6.915 -9.931 1.00 62.54 N ATOM 0 H ASN A 381 13.503 9.059 -6.301 1.00 12.33 H new ATOM 0 HA ASN A 381 15.845 7.951 -7.348 1.00 3.42 H new ATOM 0 HB2 ASN A 381 15.121 7.909 -9.788 1.00 75.33 H new ATOM 0 HB3 ASN A 381 14.583 6.553 -8.818 1.00 75.33 H new ATOM 0 HD21 ASN A 381 11.422 7.022 -10.195 1.00 62.54 H new ATOM 0 HD22 ASN A 381 12.885 6.035 -10.109 1.00 62.54 H new ATOM 426 N VAL A 382 15.854 10.139 -9.026 1.00 62.01 N ATOM 427 CA VAL A 382 16.115 11.499 -9.447 1.00 30.53 C ATOM 428 C VAL A 382 15.853 11.629 -10.942 1.00 50.31 C ATOM 429 O VAL A 382 16.298 10.780 -11.735 1.00 43.43 O ATOM 430 CB VAL A 382 17.582 11.934 -9.156 1.00 60.43 C ATOM 431 CG1 VAL A 382 17.811 13.382 -9.582 1.00 24.43 C ATOM 432 CG2 VAL A 382 17.919 11.761 -7.688 1.00 1.02 C ATOM 0 H VAL A 382 16.296 9.432 -9.614 1.00 62.01 H new ATOM 0 HA VAL A 382 15.449 12.148 -8.878 1.00 30.53 H new ATOM 0 HB VAL A 382 18.242 11.291 -9.738 1.00 60.43 H new ATOM 0 HG11 VAL A 382 18.842 13.665 -9.370 1.00 24.43 H new ATOM 0 HG12 VAL A 382 17.620 13.481 -10.651 1.00 24.43 H new ATOM 0 HG13 VAL A 382 17.135 14.035 -9.030 1.00 24.43 H new ATOM 0 HG21 VAL A 382 18.949 12.072 -7.512 1.00 1.02 H new ATOM 0 HG22 VAL A 382 17.247 12.373 -7.086 1.00 1.02 H new ATOM 0 HG23 VAL A 382 17.803 10.714 -7.409 1.00 1.02 H new ATOM 442 N PHE A 383 15.140 12.666 -11.324 1.00 64.51 N ATOM 443 CA PHE A 383 14.832 12.906 -12.722 1.00 54.20 C ATOM 444 C PHE A 383 15.395 14.245 -13.150 1.00 11.13 C ATOM 445 O PHE A 383 15.713 15.088 -12.316 1.00 5.30 O ATOM 446 CB PHE A 383 13.313 12.999 -12.961 1.00 33.10 C ATOM 447 CG PHE A 383 12.480 11.868 -12.461 1.00 62.22 C ATOM 448 CD1 PHE A 383 12.470 10.646 -13.100 1.00 40.42 C ATOM 449 CD2 PHE A 383 11.687 12.042 -11.345 1.00 72.44 C ATOM 450 CE1 PHE A 383 11.683 9.616 -12.633 1.00 43.10 C ATOM 451 CE2 PHE A 383 10.898 11.026 -10.876 1.00 55.41 C ATOM 452 CZ PHE A 383 10.895 9.808 -11.520 1.00 42.23 C ATOM 0 H PHE A 383 14.759 13.362 -10.683 1.00 64.51 H new ATOM 0 HA PHE A 383 15.261 12.075 -13.282 1.00 54.20 H new ATOM 0 HB2 PHE A 383 12.952 13.917 -12.497 1.00 33.10 H new ATOM 0 HB3 PHE A 383 13.144 13.096 -14.033 1.00 33.10 H new ATOM 0 HD1 PHE A 383 13.085 10.495 -13.975 1.00 40.42 H new ATOM 0 HD2 PHE A 383 11.689 12.994 -10.834 1.00 72.44 H new ATOM 0 HE1 PHE A 383 11.684 8.661 -13.138 1.00 43.10 H new ATOM 0 HE2 PHE A 383 10.280 11.179 -10.004 1.00 55.41 H new ATOM 0 HZ PHE A 383 10.275 9.004 -11.152 1.00 42.23 H new ATOM 462 N GLN A 384 15.514 14.416 -14.438 1.00 54.42 N ATOM 463 CA GLN A 384 15.775 15.688 -15.058 1.00 34.50 C ATOM 464 C GLN A 384 14.652 15.958 -16.038 1.00 34.00 C ATOM 465 O GLN A 384 14.627 15.417 -17.151 1.00 40.03 O ATOM 466 CB GLN A 384 17.170 15.783 -15.717 1.00 62.21 C ATOM 467 CG GLN A 384 17.544 14.592 -16.590 1.00 11.24 C ATOM 468 CD GLN A 384 18.891 14.717 -17.296 1.00 51.41 C ATOM 469 OE1 GLN A 384 19.079 14.180 -18.379 1.00 44.11 O ATOM 470 NE2 GLN A 384 19.830 15.405 -16.695 1.00 33.31 N ATOM 0 H GLN A 384 15.430 13.650 -15.107 1.00 54.42 H new ATOM 0 HA GLN A 384 15.799 16.460 -14.289 1.00 34.50 H new ATOM 0 HB2 GLN A 384 17.209 16.688 -16.324 1.00 62.21 H new ATOM 0 HB3 GLN A 384 17.920 15.892 -14.934 1.00 62.21 H new ATOM 0 HG2 GLN A 384 17.555 13.695 -15.971 1.00 11.24 H new ATOM 0 HG3 GLN A 384 16.767 14.451 -17.341 1.00 11.24 H new ATOM 0 HE21 GLN A 384 19.644 15.842 -15.792 1.00 33.31 H new ATOM 0 HE22 GLN A 384 20.747 15.504 -17.130 1.00 33.31 H new ATOM 479 N ASP A 385 13.692 16.739 -15.574 1.00 3.22 N ATOM 480 CA ASP A 385 12.446 17.063 -16.278 1.00 15.55 C ATOM 481 C ASP A 385 11.559 15.840 -16.392 1.00 24.44 C ATOM 482 O ASP A 385 10.622 15.664 -15.619 1.00 44.13 O ATOM 483 CB ASP A 385 12.674 17.667 -17.667 1.00 55.03 C ATOM 484 CG ASP A 385 11.369 18.071 -18.321 1.00 41.32 C ATOM 485 OD1 ASP A 385 10.886 19.186 -18.050 1.00 60.14 O ATOM 486 OD2 ASP A 385 10.804 17.270 -19.098 1.00 3.21 O ATOM 0 H ASP A 385 13.754 17.187 -14.660 1.00 3.22 H new ATOM 0 HA ASP A 385 11.951 17.824 -15.675 1.00 15.55 H new ATOM 0 HB2 ASP A 385 13.324 18.538 -17.583 1.00 55.03 H new ATOM 0 HB3 ASP A 385 13.189 16.944 -18.299 1.00 55.03 H new ATOM 491 N SER A 386 11.883 14.999 -17.335 1.00 41.44 N ATOM 492 CA SER A 386 11.159 13.794 -17.584 1.00 53.54 C ATOM 493 C SER A 386 12.129 12.651 -17.883 1.00 25.02 C ATOM 494 O SER A 386 11.718 11.500 -18.073 1.00 33.14 O ATOM 495 CB SER A 386 10.216 14.010 -18.757 1.00 51.43 C ATOM 496 OG SER A 386 9.303 15.074 -18.485 1.00 53.12 O ATOM 0 H SER A 386 12.675 15.140 -17.962 1.00 41.44 H new ATOM 0 HA SER A 386 10.578 13.528 -16.701 1.00 53.54 H new ATOM 0 HB2 SER A 386 10.791 14.239 -19.654 1.00 51.43 H new ATOM 0 HB3 SER A 386 9.663 13.093 -18.958 1.00 51.43 H new ATOM 0 HG SER A 386 9.773 15.932 -18.546 1.00 53.12 H new ATOM 502 N ILE A 387 13.412 12.970 -17.926 1.00 15.41 N ATOM 503 CA ILE A 387 14.425 11.981 -18.176 1.00 55.34 C ATOM 504 C ILE A 387 14.973 11.467 -16.856 1.00 44.01 C ATOM 505 O ILE A 387 15.479 12.223 -16.035 1.00 43.32 O ATOM 506 CB ILE A 387 15.570 12.524 -19.071 1.00 20.44 C ATOM 507 CG1 ILE A 387 15.027 12.949 -20.452 1.00 3.44 C ATOM 508 CG2 ILE A 387 16.687 11.496 -19.220 1.00 12.03 C ATOM 509 CD1 ILE A 387 14.370 11.828 -21.246 1.00 11.33 C ATOM 0 H ILE A 387 13.770 13.915 -17.789 1.00 15.41 H new ATOM 0 HA ILE A 387 13.962 11.160 -18.723 1.00 55.34 H new ATOM 0 HB ILE A 387 15.990 13.403 -18.583 1.00 20.44 H new ATOM 0 HG12 ILE A 387 14.302 13.751 -20.312 1.00 3.44 H new ATOM 0 HG13 ILE A 387 15.848 13.360 -21.040 1.00 3.44 H new ATOM 0 HG21 ILE A 387 17.475 11.904 -19.852 1.00 12.03 H new ATOM 0 HG22 ILE A 387 17.096 11.258 -18.238 1.00 12.03 H new ATOM 0 HG23 ILE A 387 16.289 10.590 -19.676 1.00 12.03 H new ATOM 0 HD11 ILE A 387 14.018 12.217 -22.202 1.00 11.33 H new ATOM 0 HD12 ILE A 387 15.095 11.034 -21.422 1.00 11.33 H new ATOM 0 HD13 ILE A 387 13.526 11.430 -20.683 1.00 11.33 H new ATOM 521 N LEU A 388 14.835 10.206 -16.663 1.00 1.44 N ATOM 522 CA LEU A 388 15.247 9.529 -15.464 1.00 71.31 C ATOM 523 C LEU A 388 16.766 9.292 -15.417 1.00 64.21 C ATOM 524 O LEU A 388 17.324 8.631 -16.282 1.00 25.12 O ATOM 525 CB LEU A 388 14.471 8.212 -15.399 1.00 72.11 C ATOM 526 CG LEU A 388 14.898 7.189 -14.375 1.00 72.35 C ATOM 527 CD1 LEU A 388 14.760 7.726 -12.960 1.00 73.50 C ATOM 528 CD2 LEU A 388 14.091 5.925 -14.556 1.00 12.23 C ATOM 0 H LEU A 388 14.418 9.584 -17.355 1.00 1.44 H new ATOM 0 HA LEU A 388 15.026 10.149 -14.596 1.00 71.31 H new ATOM 0 HB2 LEU A 388 13.423 8.450 -15.216 1.00 72.11 H new ATOM 0 HB3 LEU A 388 14.525 7.744 -16.382 1.00 72.11 H new ATOM 0 HG LEU A 388 15.953 6.963 -14.529 1.00 72.35 H new ATOM 0 HD11 LEU A 388 15.076 6.963 -12.249 1.00 73.50 H new ATOM 0 HD12 LEU A 388 15.385 8.611 -12.844 1.00 73.50 H new ATOM 0 HD13 LEU A 388 13.719 7.989 -12.771 1.00 73.50 H new ATOM 0 HD21 LEU A 388 14.400 5.187 -13.816 1.00 12.23 H new ATOM 0 HD22 LEU A 388 13.032 6.148 -14.426 1.00 12.23 H new ATOM 0 HD23 LEU A 388 14.258 5.527 -15.557 1.00 12.23 H new ATOM 540 N LEU A 389 17.423 9.850 -14.409 1.00 12.24 N ATOM 541 CA LEU A 389 18.850 9.623 -14.213 1.00 24.34 C ATOM 542 C LEU A 389 19.088 8.196 -13.753 1.00 0.32 C ATOM 543 O LEU A 389 19.690 7.404 -14.449 1.00 12.33 O ATOM 544 CB LEU A 389 19.426 10.589 -13.177 1.00 23.40 C ATOM 545 CG LEU A 389 19.339 12.075 -13.507 1.00 53.54 C ATOM 546 CD1 LEU A 389 19.967 12.887 -12.399 1.00 14.41 C ATOM 547 CD2 LEU A 389 20.029 12.368 -14.828 1.00 45.43 C ATOM 0 H LEU A 389 16.993 10.462 -13.716 1.00 12.24 H new ATOM 0 HA LEU A 389 19.351 9.795 -15.166 1.00 24.34 H new ATOM 0 HB2 LEU A 389 18.913 10.420 -12.231 1.00 23.40 H new ATOM 0 HB3 LEU A 389 20.475 10.335 -13.021 1.00 23.40 H new ATOM 0 HG LEU A 389 18.289 12.352 -13.598 1.00 53.54 H new ATOM 0 HD11 LEU A 389 19.901 13.947 -12.643 1.00 14.41 H new ATOM 0 HD12 LEU A 389 19.440 12.696 -11.464 1.00 14.41 H new ATOM 0 HD13 LEU A 389 21.014 12.605 -12.290 1.00 14.41 H new ATOM 0 HD21 LEU A 389 19.957 13.433 -15.048 1.00 45.43 H new ATOM 0 HD22 LEU A 389 21.079 12.081 -14.762 1.00 45.43 H new ATOM 0 HD23 LEU A 389 19.547 11.800 -15.624 1.00 45.43 H new ATOM 559 N GLY A 390 18.577 7.873 -12.595 1.00 44.23 N ATOM 560 CA GLY A 390 18.762 6.565 -12.046 1.00 73.42 C ATOM 561 C GLY A 390 17.737 6.288 -11.000 1.00 13.32 C ATOM 562 O GLY A 390 16.967 7.178 -10.655 1.00 1.22 O ATOM 0 H GLY A 390 18.027 8.505 -12.014 1.00 44.23 H new ATOM 0 HA2 GLY A 390 18.693 5.819 -12.838 1.00 73.42 H new ATOM 0 HA3 GLY A 390 19.760 6.482 -11.616 1.00 73.42 H new ATOM 566 N ASN A 391 17.750 5.092 -10.460 1.00 14.23 N ATOM 567 CA ASN A 391 16.756 4.690 -9.451 1.00 11.43 C ATOM 568 C ASN A 391 17.388 4.274 -8.213 1.00 32.54 C ATOM 569 O ASN A 391 18.513 3.776 -8.235 1.00 52.01 O ATOM 570 CB ASN A 391 15.813 3.583 -9.897 1.00 40.02 C ATOM 571 CG ASN A 391 14.714 4.054 -10.777 1.00 30.12 C ATOM 572 OD1 ASN A 391 13.673 4.489 -10.293 1.00 32.22 O ATOM 573 ND2 ASN A 391 14.878 3.931 -12.036 1.00 43.34 N ATOM 0 H ASN A 391 18.431 4.369 -10.692 1.00 14.23 H new ATOM 0 HA ASN A 391 16.160 5.590 -9.299 1.00 11.43 H new ATOM 0 HB2 ASN A 391 16.386 2.820 -10.423 1.00 40.02 H new ATOM 0 HB3 ASN A 391 15.383 3.107 -9.016 1.00 40.02 H new ATOM 0 HD21 ASN A 391 14.130 4.198 -12.676 1.00 43.34 H new ATOM 0 HD22 ASN A 391 15.757 3.566 -12.403 1.00 43.34 H new ATOM 580 N PHE A 392 16.667 4.452 -7.122 1.00 11.42 N ATOM 581 CA PHE A 392 17.185 4.092 -5.801 1.00 75.42 C ATOM 582 C PHE A 392 17.644 2.636 -5.797 1.00 31.52 C ATOM 583 O PHE A 392 16.844 1.711 -5.982 1.00 20.00 O ATOM 584 CB PHE A 392 16.129 4.338 -4.713 1.00 63.11 C ATOM 585 CG PHE A 392 16.564 3.964 -3.322 1.00 43.10 C ATOM 586 CD1 PHE A 392 17.421 4.778 -2.608 1.00 71.33 C ATOM 587 CD2 PHE A 392 16.113 2.792 -2.733 1.00 71.11 C ATOM 588 CE1 PHE A 392 17.822 4.433 -1.334 1.00 52.01 C ATOM 589 CE2 PHE A 392 16.510 2.442 -1.461 1.00 32.32 C ATOM 590 CZ PHE A 392 17.367 3.266 -0.761 1.00 31.11 C ATOM 0 H PHE A 392 15.724 4.841 -7.116 1.00 11.42 H new ATOM 0 HA PHE A 392 18.043 4.726 -5.579 1.00 75.42 H new ATOM 0 HB2 PHE A 392 15.855 5.393 -4.723 1.00 63.11 H new ATOM 0 HB3 PHE A 392 15.231 3.773 -4.963 1.00 63.11 H new ATOM 0 HD1 PHE A 392 17.781 5.694 -3.052 1.00 71.33 H new ATOM 0 HD2 PHE A 392 15.442 2.145 -3.279 1.00 71.11 H new ATOM 0 HE1 PHE A 392 18.493 5.078 -0.786 1.00 52.01 H new ATOM 0 HE2 PHE A 392 16.152 1.527 -1.014 1.00 32.32 H new ATOM 0 HZ PHE A 392 17.681 2.996 0.236 1.00 31.11 H new ATOM 600 N ALA A 393 18.924 2.453 -5.608 1.00 2.42 N ATOM 601 CA ALA A 393 19.512 1.147 -5.632 1.00 34.22 C ATOM 602 C ALA A 393 20.048 0.771 -4.278 1.00 51.03 C ATOM 603 O ALA A 393 19.749 -0.305 -3.758 1.00 14.43 O ATOM 604 CB ALA A 393 20.621 1.090 -6.674 1.00 22.22 C ATOM 0 H ALA A 393 19.586 3.209 -5.433 1.00 2.42 H new ATOM 0 HA ALA A 393 18.737 0.429 -5.900 1.00 34.22 H new ATOM 0 HB1 ALA A 393 21.061 0.093 -6.683 1.00 22.22 H new ATOM 0 HB2 ALA A 393 20.208 1.314 -7.658 1.00 22.22 H new ATOM 0 HB3 ALA A 393 21.389 1.823 -6.428 1.00 22.22 H new ATOM 610 N SER A 394 20.842 1.646 -3.703 1.00 63.01 N ATOM 611 CA SER A 394 21.462 1.371 -2.433 1.00 32.01 C ATOM 612 C SER A 394 21.571 2.645 -1.610 1.00 61.12 C ATOM 613 O SER A 394 21.687 3.754 -2.167 1.00 5.03 O ATOM 614 CB SER A 394 22.868 0.802 -2.666 1.00 75.22 C ATOM 615 OG SER A 394 22.831 -0.340 -3.515 1.00 73.31 O ATOM 0 H SER A 394 21.072 2.557 -4.099 1.00 63.01 H new ATOM 0 HA SER A 394 20.850 0.649 -1.892 1.00 32.01 H new ATOM 0 HB2 SER A 394 23.503 1.568 -3.111 1.00 75.22 H new ATOM 0 HB3 SER A 394 23.316 0.532 -1.710 1.00 75.22 H new ATOM 0 HG SER A 394 23.741 -0.679 -3.646 1.00 73.31 H new ATOM 621 N GLN A 395 21.508 2.489 -0.312 1.00 24.51 N ATOM 622 CA GLN A 395 21.706 3.572 0.608 1.00 13.14 C ATOM 623 C GLN A 395 22.900 3.243 1.481 1.00 23.41 C ATOM 624 O GLN A 395 22.898 2.230 2.199 1.00 72.05 O ATOM 625 CB GLN A 395 20.462 3.778 1.480 1.00 61.23 C ATOM 626 CG GLN A 395 20.617 4.873 2.526 1.00 72.35 C ATOM 627 CD GLN A 395 19.373 5.064 3.358 1.00 34.22 C ATOM 628 OE1 GLN A 395 18.500 5.860 3.020 1.00 21.31 O ATOM 629 NE2 GLN A 395 19.275 4.345 4.445 1.00 31.01 N ATOM 0 H GLN A 395 21.315 1.594 0.138 1.00 24.51 H new ATOM 0 HA GLN A 395 21.884 4.494 0.054 1.00 13.14 H new ATOM 0 HB2 GLN A 395 19.616 4.020 0.837 1.00 61.23 H new ATOM 0 HB3 GLN A 395 20.223 2.841 1.982 1.00 61.23 H new ATOM 0 HG2 GLN A 395 21.453 4.628 3.181 1.00 72.35 H new ATOM 0 HG3 GLN A 395 20.865 5.811 2.030 1.00 72.35 H new ATOM 0 HE21 GLN A 395 20.019 3.694 4.695 1.00 31.01 H new ATOM 0 HE22 GLN A 395 18.454 4.435 5.044 1.00 31.01 H new ATOM 638 N GLU A 396 23.904 4.062 1.425 1.00 62.43 N ATOM 639 CA GLU A 396 25.087 3.844 2.203 1.00 51.51 C ATOM 640 C GLU A 396 25.320 5.061 3.060 1.00 1.11 C ATOM 641 O GLU A 396 25.817 6.090 2.580 1.00 61.31 O ATOM 642 CB GLU A 396 26.282 3.584 1.294 1.00 62.31 C ATOM 643 CG GLU A 396 27.555 3.201 2.020 1.00 74.52 C ATOM 644 CD GLU A 396 28.696 2.993 1.073 1.00 11.40 C ATOM 645 OE1 GLU A 396 28.687 1.998 0.324 1.00 22.42 O ATOM 646 OE2 GLU A 396 29.609 3.841 1.030 1.00 65.30 O ATOM 0 H GLU A 396 23.928 4.898 0.841 1.00 62.43 H new ATOM 0 HA GLU A 396 24.961 2.967 2.837 1.00 51.51 H new ATOM 0 HB2 GLU A 396 26.024 2.788 0.596 1.00 62.31 H new ATOM 0 HB3 GLU A 396 26.472 4.479 0.701 1.00 62.31 H new ATOM 0 HG2 GLU A 396 27.814 3.982 2.735 1.00 74.52 H new ATOM 0 HG3 GLU A 396 27.387 2.288 2.592 1.00 74.52 H new ATOM 653 N GLY A 397 24.918 4.970 4.297 1.00 22.24 N ATOM 654 CA GLY A 397 25.029 6.087 5.184 1.00 31.24 C ATOM 655 C GLY A 397 24.061 7.176 4.789 1.00 54.41 C ATOM 656 O GLY A 397 22.849 6.951 4.747 1.00 34.44 O ATOM 0 H GLY A 397 24.511 4.132 4.711 1.00 22.24 H new ATOM 0 HA2 GLY A 397 24.828 5.768 6.207 1.00 31.24 H new ATOM 0 HA3 GLY A 397 26.048 6.474 5.165 1.00 31.24 H new ATOM 660 N ASN A 398 24.582 8.332 4.471 1.00 34.54 N ATOM 661 CA ASN A 398 23.748 9.447 4.045 1.00 32.11 C ATOM 662 C ASN A 398 23.907 9.644 2.522 1.00 13.31 C ATOM 663 O ASN A 398 23.382 10.581 1.930 1.00 3.51 O ATOM 664 CB ASN A 398 24.147 10.720 4.816 1.00 72.42 C ATOM 665 CG ASN A 398 23.203 11.897 4.593 1.00 40.24 C ATOM 666 OD1 ASN A 398 22.000 11.727 4.371 1.00 24.50 O ATOM 667 ND2 ASN A 398 23.732 13.091 4.665 1.00 43.52 N ATOM 0 H ASN A 398 25.581 8.535 4.496 1.00 34.54 H new ATOM 0 HA ASN A 398 22.701 9.236 4.262 1.00 32.11 H new ATOM 0 HB2 ASN A 398 24.183 10.492 5.881 1.00 72.42 H new ATOM 0 HB3 ASN A 398 25.154 11.013 4.519 1.00 72.42 H new ATOM 0 HD21 ASN A 398 23.147 13.917 4.536 1.00 43.52 H new ATOM 0 HD22 ASN A 398 24.730 13.197 4.850 1.00 43.52 H new ATOM 674 N VAL A 399 24.634 8.733 1.899 1.00 65.24 N ATOM 675 CA VAL A 399 24.860 8.791 0.471 1.00 11.11 C ATOM 676 C VAL A 399 24.011 7.756 -0.246 1.00 20.23 C ATOM 677 O VAL A 399 24.108 6.541 0.014 1.00 2.12 O ATOM 678 CB VAL A 399 26.349 8.596 0.096 1.00 62.41 C ATOM 679 CG1 VAL A 399 26.520 8.582 -1.417 1.00 70.53 C ATOM 680 CG2 VAL A 399 27.202 9.702 0.708 1.00 1.44 C ATOM 0 H VAL A 399 25.078 7.942 2.365 1.00 65.24 H new ATOM 0 HA VAL A 399 24.569 9.791 0.150 1.00 11.11 H new ATOM 0 HB VAL A 399 26.680 7.637 0.495 1.00 62.41 H new ATOM 0 HG11 VAL A 399 27.573 8.444 -1.663 1.00 70.53 H new ATOM 0 HG12 VAL A 399 25.938 7.764 -1.841 1.00 70.53 H new ATOM 0 HG13 VAL A 399 26.172 9.528 -1.831 1.00 70.53 H new ATOM 0 HG21 VAL A 399 28.246 9.550 0.435 1.00 1.44 H new ATOM 0 HG22 VAL A 399 26.866 10.669 0.334 1.00 1.44 H new ATOM 0 HG23 VAL A 399 27.104 9.679 1.793 1.00 1.44 H new ATOM 690 N LEU A 400 23.194 8.226 -1.131 1.00 31.14 N ATOM 691 CA LEU A 400 22.309 7.390 -1.890 1.00 34.35 C ATOM 692 C LEU A 400 22.727 7.304 -3.340 1.00 74.34 C ATOM 693 O LEU A 400 23.159 8.293 -3.941 1.00 54.43 O ATOM 694 CB LEU A 400 20.852 7.855 -1.760 1.00 44.02 C ATOM 695 CG LEU A 400 20.093 7.473 -0.471 1.00 22.13 C ATOM 696 CD1 LEU A 400 20.706 8.101 0.771 1.00 62.43 C ATOM 697 CD2 LEU A 400 18.637 7.843 -0.583 1.00 52.22 C ATOM 0 H LEU A 400 23.118 9.218 -1.354 1.00 31.14 H new ATOM 0 HA LEU A 400 22.377 6.386 -1.471 1.00 34.35 H new ATOM 0 HB2 LEU A 400 20.837 8.941 -1.850 1.00 44.02 H new ATOM 0 HB3 LEU A 400 20.295 7.457 -2.608 1.00 44.02 H new ATOM 0 HG LEU A 400 20.179 6.392 -0.361 1.00 22.13 H new ATOM 0 HD11 LEU A 400 20.135 7.801 1.650 1.00 62.43 H new ATOM 0 HD12 LEU A 400 21.738 7.766 0.877 1.00 62.43 H new ATOM 0 HD13 LEU A 400 20.685 9.187 0.678 1.00 62.43 H new ATOM 0 HD21 LEU A 400 18.119 7.566 0.335 1.00 52.22 H new ATOM 0 HD22 LEU A 400 18.546 8.918 -0.741 1.00 52.22 H new ATOM 0 HD23 LEU A 400 18.191 7.314 -1.425 1.00 52.22 H new ATOM 709 N LYS A 401 22.611 6.124 -3.884 1.00 64.33 N ATOM 710 CA LYS A 401 22.968 5.859 -5.254 1.00 3.13 C ATOM 711 C LYS A 401 21.757 5.403 -6.078 1.00 25.23 C ATOM 712 O LYS A 401 21.008 4.493 -5.675 1.00 72.32 O ATOM 713 CB LYS A 401 24.153 4.858 -5.320 1.00 62.32 C ATOM 714 CG LYS A 401 24.395 4.244 -6.689 1.00 31.12 C ATOM 715 CD LYS A 401 24.533 5.282 -7.783 1.00 73.43 C ATOM 716 CE LYS A 401 24.463 4.616 -9.136 1.00 34.03 C ATOM 717 NZ LYS A 401 25.711 3.937 -9.536 1.00 44.03 N ATOM 0 H LYS A 401 22.261 5.307 -3.383 1.00 64.33 H new ATOM 0 HA LYS A 401 23.305 6.790 -5.710 1.00 3.13 H new ATOM 0 HB2 LYS A 401 25.061 5.370 -5.002 1.00 62.32 H new ATOM 0 HB3 LYS A 401 23.972 4.056 -4.605 1.00 62.32 H new ATOM 0 HG2 LYS A 401 25.300 3.637 -6.655 1.00 31.12 H new ATOM 0 HG3 LYS A 401 23.570 3.574 -6.932 1.00 31.12 H new ATOM 0 HD2 LYS A 401 23.741 6.025 -7.693 1.00 73.43 H new ATOM 0 HD3 LYS A 401 25.480 5.811 -7.677 1.00 73.43 H new ATOM 0 HE2 LYS A 401 23.651 3.888 -9.130 1.00 34.03 H new ATOM 0 HE3 LYS A 401 24.213 5.366 -9.886 1.00 34.03 H new ATOM 0 HZ1 LYS A 401 25.481 3.071 -10.064 1.00 44.03 H new ATOM 0 HZ2 LYS A 401 26.273 4.571 -10.139 1.00 44.03 H new ATOM 0 HZ3 LYS A 401 26.259 3.690 -8.687 1.00 44.03 H new ATOM 731 N TYR A 402 21.572 6.060 -7.226 1.00 14.21 N ATOM 732 CA TYR A 402 20.491 5.803 -8.120 1.00 13.12 C ATOM 733 C TYR A 402 21.061 5.344 -9.471 1.00 34.33 C ATOM 734 O TYR A 402 21.790 6.090 -10.111 1.00 51.04 O ATOM 735 CB TYR A 402 19.710 7.101 -8.355 1.00 21.12 C ATOM 736 CG TYR A 402 19.332 7.863 -7.108 1.00 40.14 C ATOM 737 CD1 TYR A 402 18.150 7.613 -6.432 1.00 23.12 C ATOM 738 CD2 TYR A 402 20.166 8.852 -6.620 1.00 42.24 C ATOM 739 CE1 TYR A 402 17.817 8.337 -5.300 1.00 10.01 C ATOM 740 CE2 TYR A 402 19.847 9.567 -5.503 1.00 23.04 C ATOM 741 CZ TYR A 402 18.677 9.317 -4.844 1.00 41.33 C ATOM 742 OH TYR A 402 18.364 10.048 -3.728 1.00 40.45 O ATOM 0 H TYR A 402 22.197 6.799 -7.548 1.00 14.21 H new ATOM 0 HA TYR A 402 19.841 5.039 -7.694 1.00 13.12 H new ATOM 0 HB2 TYR A 402 20.306 7.754 -8.993 1.00 21.12 H new ATOM 0 HB3 TYR A 402 18.800 6.863 -8.905 1.00 21.12 H new ATOM 0 HD1 TYR A 402 17.481 6.845 -6.791 1.00 23.12 H new ATOM 0 HD2 TYR A 402 21.091 9.063 -7.135 1.00 42.24 H new ATOM 0 HE1 TYR A 402 16.893 8.137 -4.778 1.00 10.01 H new ATOM 0 HE2 TYR A 402 20.519 10.330 -5.140 1.00 23.04 H new ATOM 0 HH TYR A 402 19.020 9.866 -3.023 1.00 40.45 H new ATOM 752 N GLU A 403 20.750 4.147 -9.903 1.00 13.44 N ATOM 753 CA GLU A 403 21.223 3.672 -11.204 1.00 23.34 C ATOM 754 C GLU A 403 20.155 2.912 -11.935 1.00 21.21 C ATOM 755 O GLU A 403 19.030 2.840 -11.456 1.00 22.04 O ATOM 756 CB GLU A 403 22.500 2.857 -11.098 1.00 52.30 C ATOM 757 CG GLU A 403 22.454 1.669 -10.170 1.00 42.42 C ATOM 758 CD GLU A 403 23.774 0.954 -10.153 1.00 50.00 C ATOM 759 OE1 GLU A 403 24.012 0.116 -11.041 1.00 20.12 O ATOM 760 OE2 GLU A 403 24.602 1.234 -9.280 1.00 14.02 O ATOM 0 H GLU A 403 20.177 3.480 -9.387 1.00 13.44 H new ATOM 0 HA GLU A 403 21.463 4.561 -11.788 1.00 23.34 H new ATOM 0 HB2 GLU A 403 22.765 2.504 -12.094 1.00 52.30 H new ATOM 0 HB3 GLU A 403 23.302 3.518 -10.770 1.00 52.30 H new ATOM 0 HG2 GLU A 403 22.201 1.999 -9.162 1.00 42.42 H new ATOM 0 HG3 GLU A 403 21.668 0.984 -10.488 1.00 42.42 H new ATOM 767 N ASN A 404 20.508 2.368 -13.116 1.00 21.44 N ATOM 768 CA ASN A 404 19.561 1.615 -13.974 1.00 25.34 C ATOM 769 C ASN A 404 18.409 2.502 -14.416 1.00 40.21 C ATOM 770 O ASN A 404 17.290 2.033 -14.640 1.00 71.34 O ATOM 771 CB ASN A 404 19.035 0.346 -13.260 1.00 1.45 C ATOM 772 CG ASN A 404 20.110 -0.703 -13.032 1.00 12.51 C ATOM 773 OD1 ASN A 404 21.051 -0.828 -13.815 1.00 60.34 O ATOM 774 ND2 ASN A 404 19.986 -1.448 -11.966 1.00 25.24 N ATOM 0 H ASN A 404 21.449 2.435 -13.503 1.00 21.44 H new ATOM 0 HA ASN A 404 20.106 1.293 -14.862 1.00 25.34 H new ATOM 0 HB2 ASN A 404 18.604 0.630 -12.300 1.00 1.45 H new ATOM 0 HB3 ASN A 404 18.231 -0.090 -13.854 1.00 1.45 H new ATOM 0 HD21 ASN A 404 20.684 -2.163 -11.760 1.00 25.24 H new ATOM 0 HD22 ASN A 404 19.192 -1.315 -11.340 1.00 25.24 H new ATOM 781 N GLY A 405 18.705 3.785 -14.593 1.00 51.15 N ATOM 782 CA GLY A 405 17.703 4.732 -15.002 1.00 53.42 C ATOM 783 C GLY A 405 17.449 4.693 -16.491 1.00 52.10 C ATOM 784 O GLY A 405 17.382 3.621 -17.097 1.00 73.12 O ATOM 0 H GLY A 405 19.634 4.182 -14.457 1.00 51.15 H new ATOM 0 HA2 GLY A 405 16.773 4.525 -14.472 1.00 53.42 H new ATOM 0 HA3 GLY A 405 18.017 5.736 -14.716 1.00 53.42 H new ATOM 788 N GLN A 406 17.309 5.838 -17.079 1.00 13.21 N ATOM 789 CA GLN A 406 17.041 5.934 -18.489 1.00 70.43 C ATOM 790 C GLN A 406 18.395 5.834 -19.194 1.00 74.42 C ATOM 791 O GLN A 406 19.419 6.267 -18.639 1.00 34.31 O ATOM 792 CB GLN A 406 16.321 7.279 -18.742 1.00 11.43 C ATOM 793 CG GLN A 406 15.509 7.431 -20.028 1.00 14.11 C ATOM 794 CD GLN A 406 16.308 7.503 -21.301 1.00 12.04 C ATOM 795 OE1 GLN A 406 16.590 6.497 -21.929 1.00 42.41 O ATOM 796 NE2 GLN A 406 16.652 8.698 -21.703 1.00 52.14 N ATOM 0 H GLN A 406 17.376 6.736 -16.600 1.00 13.21 H new ATOM 0 HA GLN A 406 16.393 5.145 -18.870 1.00 70.43 H new ATOM 0 HB2 GLN A 406 15.651 7.462 -17.902 1.00 11.43 H new ATOM 0 HB3 GLN A 406 17.073 8.068 -18.728 1.00 11.43 H new ATOM 0 HG2 GLN A 406 14.819 6.591 -20.101 1.00 14.11 H new ATOM 0 HG3 GLN A 406 14.904 8.334 -19.949 1.00 14.11 H new ATOM 0 HE21 GLN A 406 16.397 9.516 -21.149 1.00 52.14 H new ATOM 0 HE22 GLN A 406 17.175 8.813 -22.571 1.00 52.14 H new ATOM 805 N SER A 407 18.415 5.224 -20.346 1.00 70.21 N ATOM 806 CA SER A 407 19.622 5.029 -21.108 1.00 1.21 C ATOM 807 C SER A 407 20.327 6.361 -21.431 1.00 42.31 C ATOM 808 O SER A 407 19.692 7.376 -21.722 1.00 20.53 O ATOM 809 CB SER A 407 19.310 4.240 -22.371 1.00 70.11 C ATOM 810 OG SER A 407 18.753 2.970 -22.038 1.00 21.14 O ATOM 0 H SER A 407 17.581 4.841 -20.791 1.00 70.21 H new ATOM 0 HA SER A 407 20.320 4.455 -20.499 1.00 1.21 H new ATOM 0 HB2 SER A 407 18.611 4.799 -22.993 1.00 70.11 H new ATOM 0 HB3 SER A 407 20.219 4.103 -22.956 1.00 70.11 H new ATOM 0 HG SER A 407 19.470 2.305 -21.974 1.00 21.14 H new ATOM 816 N CYS A 408 21.632 6.326 -21.360 1.00 21.40 N ATOM 817 CA CYS A 408 22.477 7.481 -21.574 1.00 4.32 C ATOM 818 C CYS A 408 22.585 7.790 -23.054 1.00 23.45 C ATOM 819 O CYS A 408 22.461 8.950 -23.478 1.00 22.54 O ATOM 820 CB CYS A 408 23.857 7.198 -20.958 1.00 71.21 C ATOM 821 SG CYS A 408 25.109 8.498 -21.186 1.00 32.45 S ATOM 0 H CYS A 408 22.153 5.475 -21.147 1.00 21.40 H new ATOM 0 HA CYS A 408 22.044 8.357 -21.092 1.00 4.32 H new ATOM 0 HB2 CYS A 408 23.728 7.027 -19.889 1.00 71.21 H new ATOM 0 HB3 CYS A 408 24.241 6.271 -21.385 1.00 71.21 H new ATOM 826 N ALA A 409 22.796 6.756 -23.829 1.00 73.11 N ATOM 827 CA ALA A 409 22.869 6.842 -25.266 1.00 31.12 C ATOM 828 C ALA A 409 22.889 5.450 -25.809 1.00 71.32 C ATOM 829 O ALA A 409 23.708 4.640 -25.376 1.00 34.14 O ATOM 830 CB ALA A 409 24.122 7.591 -25.717 1.00 42.44 C ATOM 0 H ALA A 409 22.925 5.810 -23.470 1.00 73.11 H new ATOM 0 HA ALA A 409 22.006 7.394 -25.639 1.00 31.12 H new ATOM 0 HB1 ALA A 409 24.146 7.638 -26.806 1.00 42.44 H new ATOM 0 HB2 ALA A 409 24.107 8.602 -25.311 1.00 42.44 H new ATOM 0 HB3 ALA A 409 25.008 7.068 -25.357 1.00 42.44 H new ATOM 836 N ASN A 410 21.953 5.148 -26.694 1.00 32.14 N ATOM 837 CA ASN A 410 21.859 3.846 -27.392 1.00 22.44 C ATOM 838 C ASN A 410 21.420 2.688 -26.469 1.00 51.53 C ATOM 839 O ASN A 410 20.498 1.947 -26.806 1.00 52.42 O ATOM 840 CB ASN A 410 23.180 3.507 -28.118 1.00 40.34 C ATOM 841 CG ASN A 410 23.148 2.192 -28.889 1.00 53.24 C ATOM 842 OD1 ASN A 410 22.105 1.760 -29.398 1.00 64.43 O ATOM 843 ND2 ASN A 410 24.280 1.554 -28.981 1.00 23.10 N ATOM 0 H ASN A 410 21.218 5.802 -26.962 1.00 32.14 H new ATOM 0 HA ASN A 410 21.071 3.957 -28.137 1.00 22.44 H new ATOM 0 HB2 ASN A 410 23.420 4.315 -28.809 1.00 40.34 H new ATOM 0 HB3 ASN A 410 23.985 3.466 -27.384 1.00 40.34 H new ATOM 0 HD21 ASN A 410 24.327 0.668 -29.485 1.00 23.10 H new ATOM 0 HD22 ASN A 410 25.120 1.940 -28.549 1.00 23.10 H new ATOM 850 N GLY A 411 22.056 2.548 -25.316 1.00 71.43 N ATOM 851 CA GLY A 411 21.744 1.448 -24.422 1.00 53.33 C ATOM 852 C GLY A 411 22.167 1.675 -22.967 1.00 13.32 C ATOM 853 O GLY A 411 21.300 1.691 -22.089 1.00 51.13 O ATOM 0 H GLY A 411 22.785 3.178 -24.981 1.00 71.43 H new ATOM 0 HA2 GLY A 411 20.670 1.266 -24.451 1.00 53.33 H new ATOM 0 HA3 GLY A 411 22.230 0.546 -24.792 1.00 53.33 H new ATOM 857 N PRO A 412 23.503 1.862 -22.688 1.00 55.04 N ATOM 858 CA PRO A 412 24.053 2.007 -21.316 1.00 14.05 C ATOM 859 C PRO A 412 23.271 2.943 -20.390 1.00 64.12 C ATOM 860 O PRO A 412 22.702 3.954 -20.811 1.00 54.31 O ATOM 861 CB PRO A 412 25.442 2.549 -21.535 1.00 0.11 C ATOM 862 CG PRO A 412 25.846 2.025 -22.869 1.00 34.53 C ATOM 863 CD PRO A 412 24.589 1.923 -23.692 1.00 33.54 C ATOM 0 HA PRO A 412 24.008 1.045 -20.805 1.00 14.05 H new ATOM 0 HB2 PRO A 412 25.449 3.639 -21.519 1.00 0.11 H new ATOM 0 HB3 PRO A 412 26.125 2.214 -20.755 1.00 0.11 H new ATOM 0 HG2 PRO A 412 26.567 2.690 -23.344 1.00 34.53 H new ATOM 0 HG3 PRO A 412 26.326 1.051 -22.773 1.00 34.53 H new ATOM 0 HD2 PRO A 412 24.474 2.783 -24.352 1.00 33.54 H new ATOM 0 HD3 PRO A 412 24.598 1.035 -24.324 1.00 33.54 H new ATOM 871 N HIS A 413 23.294 2.594 -19.135 1.00 54.55 N ATOM 872 CA HIS A 413 22.559 3.267 -18.066 1.00 54.02 C ATOM 873 C HIS A 413 23.070 4.672 -17.717 1.00 14.53 C ATOM 874 O HIS A 413 24.258 4.960 -17.804 1.00 23.42 O ATOM 875 CB HIS A 413 22.644 2.417 -16.780 1.00 20.32 C ATOM 876 CG HIS A 413 24.059 2.239 -16.226 1.00 40.04 C ATOM 877 ND1 HIS A 413 24.571 2.950 -15.149 1.00 0.34 N ATOM 878 CD2 HIS A 413 25.050 1.421 -16.618 1.00 44.32 C ATOM 879 CE1 HIS A 413 25.807 2.565 -14.926 1.00 13.15 C ATOM 880 NE2 HIS A 413 26.119 1.642 -15.799 1.00 12.41 N ATOM 0 H HIS A 413 23.843 1.802 -18.800 1.00 54.55 H new ATOM 0 HA HIS A 413 21.542 3.377 -18.442 1.00 54.02 H new ATOM 0 HB2 HIS A 413 22.023 2.880 -16.013 1.00 20.32 H new ATOM 0 HB3 HIS A 413 22.221 1.433 -16.982 1.00 20.32 H new ATOM 0 HD1 HIS A 413 24.067 3.659 -14.616 1.00 0.34 H new ATOM 0 HD2 HIS A 413 25.008 0.715 -17.435 1.00 44.32 H new ATOM 0 HE1 HIS A 413 26.456 2.946 -14.152 1.00 13.15 H new ATOM 889 N ARG A 414 22.155 5.528 -17.349 1.00 62.24 N ATOM 890 CA ARG A 414 22.500 6.746 -16.648 1.00 13.32 C ATOM 891 C ARG A 414 22.448 6.455 -15.164 1.00 30.42 C ATOM 892 O ARG A 414 21.921 5.391 -14.748 1.00 3.34 O ATOM 893 CB ARG A 414 21.583 7.920 -17.006 1.00 23.05 C ATOM 894 CG ARG A 414 21.883 8.520 -18.345 1.00 13.35 C ATOM 895 CD ARG A 414 20.932 9.639 -18.708 1.00 35.42 C ATOM 896 NE ARG A 414 21.409 10.362 -19.898 1.00 44.20 N ATOM 897 CZ ARG A 414 20.652 10.851 -20.883 1.00 32.31 C ATOM 898 NH1 ARG A 414 19.358 10.595 -20.921 1.00 2.42 N ATOM 899 NH2 ARG A 414 21.214 11.564 -21.845 1.00 13.42 N ATOM 0 H ARG A 414 21.157 5.407 -17.522 1.00 62.24 H new ATOM 0 HA ARG A 414 23.501 7.054 -16.950 1.00 13.32 H new ATOM 0 HB2 ARG A 414 20.547 7.580 -16.992 1.00 23.05 H new ATOM 0 HB3 ARG A 414 21.676 8.691 -16.241 1.00 23.05 H new ATOM 0 HG2 ARG A 414 22.904 8.901 -18.348 1.00 13.35 H new ATOM 0 HG3 ARG A 414 21.831 7.743 -19.107 1.00 13.35 H new ATOM 0 HD2 ARG A 414 19.939 9.232 -18.898 1.00 35.42 H new ATOM 0 HD3 ARG A 414 20.839 10.330 -17.870 1.00 35.42 H new ATOM 0 HE ARG A 414 22.416 10.503 -19.978 1.00 44.20 H new ATOM 0 HH11 ARG A 414 18.930 10.020 -20.195 1.00 2.42 H new ATOM 0 HH12 ARG A 414 18.786 10.972 -21.676 1.00 2.42 H new ATOM 0 HH21 ARG A 414 22.219 11.737 -21.831 1.00 13.42 H new ATOM 0 HH22 ARG A 414 20.642 11.941 -22.601 1.00 13.42 H new ATOM 913 N SER A 415 23.008 7.318 -14.367 1.00 74.44 N ATOM 914 CA SER A 415 23.034 7.135 -12.938 1.00 45.43 C ATOM 915 C SER A 415 23.126 8.472 -12.228 1.00 42.15 C ATOM 916 O SER A 415 23.449 9.490 -12.839 1.00 31.13 O ATOM 917 CB SER A 415 24.209 6.226 -12.572 1.00 4.31 C ATOM 918 OG SER A 415 24.046 4.949 -13.181 1.00 64.33 O ATOM 0 H SER A 415 23.462 8.173 -14.687 1.00 74.44 H new ATOM 0 HA SER A 415 22.108 6.661 -12.613 1.00 45.43 H new ATOM 0 HB2 SER A 415 25.145 6.678 -12.901 1.00 4.31 H new ATOM 0 HB3 SER A 415 24.271 6.116 -11.489 1.00 4.31 H new ATOM 0 HG SER A 415 23.120 4.848 -13.486 1.00 64.33 H new ATOM 924 N ALA A 416 22.820 8.462 -10.958 1.00 33.31 N ATOM 925 CA ALA A 416 22.861 9.630 -10.135 1.00 61.12 C ATOM 926 C ALA A 416 23.319 9.220 -8.759 1.00 43.32 C ATOM 927 O ALA A 416 22.867 8.211 -8.227 1.00 63.11 O ATOM 928 CB ALA A 416 21.481 10.277 -10.061 1.00 62.24 C ATOM 0 H ALA A 416 22.529 7.620 -10.461 1.00 33.31 H new ATOM 0 HA ALA A 416 23.551 10.360 -10.558 1.00 61.12 H new ATOM 0 HB1 ALA A 416 21.529 11.165 -9.431 1.00 62.24 H new ATOM 0 HB2 ALA A 416 21.158 10.560 -11.063 1.00 62.24 H new ATOM 0 HB3 ALA A 416 20.769 9.569 -9.637 1.00 62.24 H new ATOM 934 N ILE A 417 24.213 9.952 -8.209 1.00 43.23 N ATOM 935 CA ILE A 417 24.721 9.670 -6.896 1.00 53.55 C ATOM 936 C ILE A 417 24.545 10.924 -6.054 1.00 33.25 C ATOM 937 O ILE A 417 25.013 11.995 -6.425 1.00 34.12 O ATOM 938 CB ILE A 417 26.226 9.164 -6.986 1.00 20.52 C ATOM 939 CG1 ILE A 417 26.859 8.744 -5.621 1.00 75.14 C ATOM 940 CG2 ILE A 417 27.114 10.147 -7.721 1.00 4.34 C ATOM 941 CD1 ILE A 417 27.175 9.873 -4.654 1.00 35.22 C ATOM 0 H ILE A 417 24.625 10.774 -8.651 1.00 43.23 H new ATOM 0 HA ILE A 417 24.172 8.860 -6.415 1.00 53.55 H new ATOM 0 HB ILE A 417 26.167 8.246 -7.571 1.00 20.52 H new ATOM 0 HG12 ILE A 417 26.179 8.050 -5.127 1.00 75.14 H new ATOM 0 HG13 ILE A 417 27.780 8.198 -5.824 1.00 75.14 H new ATOM 0 HG21 ILE A 417 28.132 9.760 -7.758 1.00 4.34 H new ATOM 0 HG22 ILE A 417 26.741 10.286 -8.736 1.00 4.34 H new ATOM 0 HG23 ILE A 417 27.108 11.104 -7.199 1.00 4.34 H new ATOM 0 HD11 ILE A 417 27.610 9.461 -3.743 1.00 35.22 H new ATOM 0 HD12 ILE A 417 27.884 10.560 -5.116 1.00 35.22 H new ATOM 0 HD13 ILE A 417 26.258 10.409 -4.408 1.00 35.22 H new ATOM 953 N VAL A 418 23.857 10.813 -4.947 1.00 14.21 N ATOM 954 CA VAL A 418 23.586 11.985 -4.163 1.00 53.23 C ATOM 955 C VAL A 418 24.553 12.088 -2.995 1.00 61.15 C ATOM 956 O VAL A 418 24.673 11.178 -2.172 1.00 20.54 O ATOM 957 CB VAL A 418 22.090 12.082 -3.682 1.00 32.14 C ATOM 958 CG1 VAL A 418 21.730 11.035 -2.658 1.00 73.04 C ATOM 959 CG2 VAL A 418 21.750 13.482 -3.200 1.00 64.23 C ATOM 0 H VAL A 418 23.482 9.941 -4.575 1.00 14.21 H new ATOM 0 HA VAL A 418 23.742 12.840 -4.820 1.00 53.23 H new ATOM 0 HB VAL A 418 21.473 11.872 -4.556 1.00 32.14 H new ATOM 0 HG11 VAL A 418 20.687 11.155 -2.367 1.00 73.04 H new ATOM 0 HG12 VAL A 418 21.876 10.043 -3.085 1.00 73.04 H new ATOM 0 HG13 VAL A 418 22.367 11.150 -1.781 1.00 73.04 H new ATOM 0 HG21 VAL A 418 20.710 13.513 -2.876 1.00 64.23 H new ATOM 0 HG22 VAL A 418 22.399 13.747 -2.365 1.00 64.23 H new ATOM 0 HG23 VAL A 418 21.897 14.193 -4.013 1.00 64.23 H new ATOM 969 N THR A 419 25.264 13.161 -2.961 1.00 73.20 N ATOM 970 CA THR A 419 26.165 13.431 -1.907 1.00 53.15 C ATOM 971 C THR A 419 25.503 14.464 -1.019 1.00 42.10 C ATOM 972 O THR A 419 25.264 15.604 -1.439 1.00 42.22 O ATOM 973 CB THR A 419 27.468 13.993 -2.487 1.00 5.34 C ATOM 974 OG1 THR A 419 27.906 13.098 -3.526 1.00 73.03 O ATOM 975 CG2 THR A 419 28.545 14.068 -1.412 1.00 71.11 C ATOM 0 H THR A 419 25.232 13.885 -3.679 1.00 73.20 H new ATOM 0 HA THR A 419 26.401 12.530 -1.341 1.00 53.15 H new ATOM 0 HB THR A 419 27.296 14.997 -2.874 1.00 5.34 H new ATOM 0 HG1 THR A 419 28.739 13.434 -3.918 1.00 73.03 H new ATOM 0 HG21 THR A 419 29.462 14.469 -1.843 1.00 71.11 H new ATOM 0 HG22 THR A 419 28.209 14.719 -0.605 1.00 71.11 H new ATOM 0 HG23 THR A 419 28.736 13.070 -1.018 1.00 71.11 H new ATOM 983 N VAL A 420 25.181 14.075 0.180 1.00 35.13 N ATOM 984 CA VAL A 420 24.480 14.948 1.062 1.00 52.35 C ATOM 985 C VAL A 420 25.353 15.261 2.250 1.00 30.41 C ATOM 986 O VAL A 420 25.915 14.368 2.865 1.00 71.31 O ATOM 987 CB VAL A 420 23.138 14.325 1.543 1.00 40.44 C ATOM 988 CG1 VAL A 420 22.332 15.326 2.343 1.00 61.10 C ATOM 989 CG2 VAL A 420 22.320 13.804 0.378 1.00 31.44 C ATOM 0 H VAL A 420 25.395 13.156 0.566 1.00 35.13 H new ATOM 0 HA VAL A 420 24.243 15.863 0.518 1.00 52.35 H new ATOM 0 HB VAL A 420 23.384 13.482 2.188 1.00 40.44 H new ATOM 0 HG11 VAL A 420 21.399 14.866 2.667 1.00 61.10 H new ATOM 0 HG12 VAL A 420 22.905 15.640 3.216 1.00 61.10 H new ATOM 0 HG13 VAL A 420 22.112 16.195 1.723 1.00 61.10 H new ATOM 0 HG21 VAL A 420 21.389 13.376 0.750 1.00 31.44 H new ATOM 0 HG22 VAL A 420 22.095 14.624 -0.304 1.00 31.44 H new ATOM 0 HG23 VAL A 420 22.887 13.037 -0.150 1.00 31.44 H new ATOM 999 N GLU A 421 25.468 16.520 2.558 1.00 13.42 N ATOM 1000 CA GLU A 421 26.297 16.969 3.663 1.00 11.45 C ATOM 1001 C GLU A 421 25.444 17.413 4.839 1.00 21.15 C ATOM 1002 O GLU A 421 25.967 17.732 5.902 1.00 74.13 O ATOM 1003 CB GLU A 421 27.163 18.125 3.184 1.00 12.44 C ATOM 1004 CG GLU A 421 26.348 19.280 2.625 1.00 35.21 C ATOM 1005 CD GLU A 421 27.196 20.350 2.036 1.00 33.43 C ATOM 1006 OE1 GLU A 421 27.763 20.121 0.974 1.00 12.14 O ATOM 1007 OE2 GLU A 421 27.287 21.447 2.611 1.00 51.13 O ATOM 0 H GLU A 421 24.994 17.272 2.057 1.00 13.42 H new ATOM 0 HA GLU A 421 26.924 16.143 3.998 1.00 11.45 H new ATOM 0 HB2 GLU A 421 27.772 18.484 4.013 1.00 12.44 H new ATOM 0 HB3 GLU A 421 27.849 17.766 2.417 1.00 12.44 H new ATOM 0 HG2 GLU A 421 25.666 18.902 1.863 1.00 35.21 H new ATOM 0 HG3 GLU A 421 25.735 19.705 3.420 1.00 35.21 H new ATOM 1014 N CYS A 422 24.124 17.413 4.629 1.00 5.41 N ATOM 1015 CA CYS A 422 23.141 17.862 5.624 1.00 42.23 C ATOM 1016 C CYS A 422 23.180 19.397 5.793 1.00 23.23 C ATOM 1017 O CYS A 422 24.187 20.048 5.503 1.00 23.42 O ATOM 1018 CB CYS A 422 23.303 17.127 6.974 1.00 30.40 C ATOM 1019 SG CYS A 422 22.097 17.617 8.241 1.00 34.31 S ATOM 0 H CYS A 422 23.702 17.098 3.755 1.00 5.41 H new ATOM 0 HA CYS A 422 22.153 17.599 5.246 1.00 42.23 H new ATOM 0 HB2 CYS A 422 23.217 16.054 6.803 1.00 30.40 H new ATOM 0 HB3 CYS A 422 24.308 17.309 7.355 1.00 30.40 H new ATOM 1024 N GLY A 423 22.080 19.971 6.211 1.00 25.54 N ATOM 1025 CA GLY A 423 22.023 21.396 6.361 1.00 24.42 C ATOM 1026 C GLY A 423 20.800 21.842 7.103 1.00 72.44 C ATOM 1027 O GLY A 423 20.218 21.072 7.860 1.00 64.12 O ATOM 0 H GLY A 423 21.221 19.476 6.451 1.00 25.54 H new ATOM 0 HA2 GLY A 423 22.912 21.739 6.891 1.00 24.42 H new ATOM 0 HA3 GLY A 423 22.038 21.864 5.376 1.00 24.42 H new ATOM 1031 N VAL A 424 20.415 23.078 6.893 1.00 21.14 N ATOM 1032 CA VAL A 424 19.235 23.643 7.551 1.00 31.21 C ATOM 1033 C VAL A 424 18.039 23.595 6.597 1.00 4.12 C ATOM 1034 O VAL A 424 16.887 23.645 7.007 1.00 10.22 O ATOM 1035 CB VAL A 424 19.499 25.116 7.998 1.00 13.44 C ATOM 1036 CG1 VAL A 424 18.324 25.692 8.776 1.00 1.54 C ATOM 1037 CG2 VAL A 424 20.774 25.208 8.818 1.00 43.22 C ATOM 0 H VAL A 424 20.898 23.725 6.269 1.00 21.14 H new ATOM 0 HA VAL A 424 19.017 23.049 8.439 1.00 31.21 H new ATOM 0 HB VAL A 424 19.619 25.712 7.094 1.00 13.44 H new ATOM 0 HG11 VAL A 424 18.549 26.718 9.068 1.00 1.54 H new ATOM 0 HG12 VAL A 424 17.432 25.680 8.150 1.00 1.54 H new ATOM 0 HG13 VAL A 424 18.149 25.091 9.668 1.00 1.54 H new ATOM 0 HG21 VAL A 424 20.939 26.242 9.119 1.00 43.22 H new ATOM 0 HG22 VAL A 424 20.682 24.582 9.706 1.00 43.22 H new ATOM 0 HG23 VAL A 424 21.618 24.866 8.219 1.00 43.22 H new ATOM 1047 N GLU A 425 18.326 23.464 5.333 1.00 70.23 N ATOM 1048 CA GLU A 425 17.315 23.421 4.321 1.00 2.40 C ATOM 1049 C GLU A 425 17.757 22.422 3.287 1.00 11.04 C ATOM 1050 O GLU A 425 18.949 22.061 3.248 1.00 62.24 O ATOM 1051 CB GLU A 425 17.139 24.807 3.671 1.00 62.22 C ATOM 1052 CG GLU A 425 18.360 25.295 2.899 1.00 34.03 C ATOM 1053 CD GLU A 425 18.172 26.663 2.295 1.00 2.53 C ATOM 1054 OE1 GLU A 425 17.362 26.812 1.362 1.00 51.33 O ATOM 1055 OE2 GLU A 425 18.840 27.609 2.744 1.00 23.23 O ATOM 0 H GLU A 425 19.278 23.383 4.975 1.00 70.23 H new ATOM 0 HA GLU A 425 16.357 23.134 4.756 1.00 2.40 H new ATOM 0 HB2 GLU A 425 16.285 24.773 2.994 1.00 62.22 H new ATOM 0 HB3 GLU A 425 16.901 25.533 4.448 1.00 62.22 H new ATOM 0 HG2 GLU A 425 19.221 25.315 3.568 1.00 34.03 H new ATOM 0 HG3 GLU A 425 18.589 24.583 2.106 1.00 34.03 H new ATOM 1062 N ASN A 426 16.847 21.940 2.496 1.00 44.14 N ATOM 1063 CA ASN A 426 17.226 21.039 1.439 1.00 22.15 C ATOM 1064 C ASN A 426 17.291 21.797 0.145 1.00 1.21 C ATOM 1065 O ASN A 426 16.430 22.649 -0.128 1.00 31.23 O ATOM 1066 CB ASN A 426 16.310 19.772 1.308 1.00 34.13 C ATOM 1067 CG ASN A 426 14.902 19.973 0.714 1.00 52.00 C ATOM 1068 OD1 ASN A 426 14.377 19.075 0.061 1.00 44.04 O ATOM 1069 ND2 ASN A 426 14.274 21.076 0.951 1.00 42.30 N ATOM 0 H ASN A 426 15.850 22.148 2.556 1.00 44.14 H new ATOM 0 HA ASN A 426 18.208 20.644 1.697 1.00 22.15 H new ATOM 0 HB2 ASN A 426 16.834 19.040 0.693 1.00 34.13 H new ATOM 0 HB3 ASN A 426 16.198 19.333 2.300 1.00 34.13 H new ATOM 0 HD21 ASN A 426 13.328 21.211 0.594 1.00 42.30 H new ATOM 0 HD22 ASN A 426 14.724 21.812 1.495 1.00 42.30 H new ATOM 1076 N GLU A 427 18.317 21.546 -0.626 1.00 10.32 N ATOM 1077 CA GLU A 427 18.467 22.168 -1.909 1.00 25.11 C ATOM 1078 C GLU A 427 19.490 21.425 -2.709 1.00 44.41 C ATOM 1079 O GLU A 427 20.394 20.782 -2.143 1.00 3.33 O ATOM 1080 CB GLU A 427 18.890 23.653 -1.814 1.00 62.32 C ATOM 1081 CG GLU A 427 20.291 23.884 -1.255 1.00 5.22 C ATOM 1082 CD GLU A 427 20.718 25.321 -1.367 1.00 12.42 C ATOM 1083 OE1 GLU A 427 20.907 25.803 -2.502 1.00 3.35 O ATOM 1084 OE2 GLU A 427 20.898 25.990 -0.331 1.00 11.25 O ATOM 0 H GLU A 427 19.070 20.904 -0.379 1.00 10.32 H new ATOM 0 HA GLU A 427 17.490 22.134 -2.392 1.00 25.11 H new ATOM 0 HB2 GLU A 427 18.833 24.097 -2.808 1.00 62.32 H new ATOM 0 HB3 GLU A 427 18.172 24.181 -1.187 1.00 62.32 H new ATOM 0 HG2 GLU A 427 20.317 23.580 -0.209 1.00 5.22 H new ATOM 0 HG3 GLU A 427 21.002 23.253 -1.789 1.00 5.22 H new ATOM 1091 N ILE A 428 19.330 21.467 -3.992 1.00 14.43 N ATOM 1092 CA ILE A 428 20.297 20.934 -4.898 1.00 60.35 C ATOM 1093 C ILE A 428 21.292 22.037 -5.199 1.00 2.45 C ATOM 1094 O ILE A 428 20.955 23.035 -5.840 1.00 0.40 O ATOM 1095 CB ILE A 428 19.628 20.461 -6.193 1.00 62.35 C ATOM 1096 CG1 ILE A 428 18.505 19.474 -5.860 1.00 70.13 C ATOM 1097 CG2 ILE A 428 20.654 19.822 -7.124 1.00 71.31 C ATOM 1098 CD1 ILE A 428 17.710 19.028 -7.057 1.00 12.44 C ATOM 0 H ILE A 428 18.514 21.877 -4.447 1.00 14.43 H new ATOM 0 HA ILE A 428 20.794 20.072 -4.453 1.00 60.35 H new ATOM 0 HB ILE A 428 19.200 21.321 -6.708 1.00 62.35 H new ATOM 0 HG12 ILE A 428 18.936 18.598 -5.376 1.00 70.13 H new ATOM 0 HG13 ILE A 428 17.830 19.936 -5.140 1.00 70.13 H new ATOM 0 HG21 ILE A 428 20.160 19.492 -8.038 1.00 71.31 H new ATOM 0 HG22 ILE A 428 21.425 20.552 -7.371 1.00 71.31 H new ATOM 0 HG23 ILE A 428 21.111 18.965 -6.629 1.00 71.31 H new ATOM 0 HD11 ILE A 428 16.934 18.331 -6.740 1.00 12.44 H new ATOM 0 HD12 ILE A 428 17.248 19.894 -7.530 1.00 12.44 H new ATOM 0 HD13 ILE A 428 18.371 18.535 -7.770 1.00 12.44 H new ATOM 1110 N VAL A 429 22.489 21.871 -4.708 1.00 25.24 N ATOM 1111 CA VAL A 429 23.520 22.869 -4.838 1.00 11.24 C ATOM 1112 C VAL A 429 24.126 22.818 -6.230 1.00 50.11 C ATOM 1113 O VAL A 429 24.195 23.832 -6.927 1.00 33.23 O ATOM 1114 CB VAL A 429 24.631 22.663 -3.765 1.00 32.12 C ATOM 1115 CG1 VAL A 429 25.713 23.734 -3.866 1.00 54.34 C ATOM 1116 CG2 VAL A 429 24.033 22.638 -2.362 1.00 52.13 C ATOM 0 H VAL A 429 22.781 21.034 -4.203 1.00 25.24 H new ATOM 0 HA VAL A 429 23.068 23.848 -4.681 1.00 11.24 H new ATOM 0 HB VAL A 429 25.098 21.698 -3.960 1.00 32.12 H new ATOM 0 HG11 VAL A 429 26.471 23.559 -3.103 1.00 54.34 H new ATOM 0 HG12 VAL A 429 26.175 23.693 -4.852 1.00 54.34 H new ATOM 0 HG13 VAL A 429 25.267 24.717 -3.715 1.00 54.34 H new ATOM 0 HG21 VAL A 429 24.828 22.493 -1.630 1.00 52.13 H new ATOM 0 HG22 VAL A 429 23.527 23.583 -2.165 1.00 52.13 H new ATOM 0 HG23 VAL A 429 23.317 21.820 -2.286 1.00 52.13 H new ATOM 1126 N SER A 430 24.542 21.639 -6.637 1.00 2.35 N ATOM 1127 CA SER A 430 25.165 21.447 -7.925 1.00 0.44 C ATOM 1128 C SER A 430 24.944 20.014 -8.389 1.00 62.22 C ATOM 1129 O SER A 430 24.623 19.133 -7.572 1.00 73.13 O ATOM 1130 CB SER A 430 26.680 21.713 -7.819 1.00 63.05 C ATOM 1131 OG SER A 430 26.950 23.018 -7.314 1.00 24.21 O ATOM 0 H SER A 430 24.457 20.787 -6.083 1.00 2.35 H new ATOM 0 HA SER A 430 24.722 22.140 -8.640 1.00 0.44 H new ATOM 0 HB2 SER A 430 27.136 20.968 -7.166 1.00 63.05 H new ATOM 0 HB3 SER A 430 27.139 21.600 -8.801 1.00 63.05 H new ATOM 0 HG SER A 430 27.919 23.153 -7.258 1.00 24.21 H new ATOM 1137 N VAL A 431 25.078 19.793 -9.684 1.00 52.44 N ATOM 1138 CA VAL A 431 25.019 18.468 -10.274 1.00 1.21 C ATOM 1139 C VAL A 431 26.121 18.380 -11.315 1.00 21.42 C ATOM 1140 O VAL A 431 26.206 19.238 -12.199 1.00 72.13 O ATOM 1141 CB VAL A 431 23.654 18.160 -10.963 1.00 55.25 C ATOM 1142 CG1 VAL A 431 23.669 16.754 -11.547 1.00 42.51 C ATOM 1143 CG2 VAL A 431 22.491 18.307 -9.990 1.00 2.21 C ATOM 0 H VAL A 431 25.233 20.538 -10.364 1.00 52.44 H new ATOM 0 HA VAL A 431 25.140 17.738 -9.474 1.00 1.21 H new ATOM 0 HB VAL A 431 23.514 18.885 -11.765 1.00 55.25 H new ATOM 0 HG11 VAL A 431 22.712 16.549 -12.026 1.00 42.51 H new ATOM 0 HG12 VAL A 431 24.468 16.675 -12.284 1.00 42.51 H new ATOM 0 HG13 VAL A 431 23.838 16.031 -10.749 1.00 42.51 H new ATOM 0 HG21 VAL A 431 21.556 18.085 -10.504 1.00 2.21 H new ATOM 0 HG22 VAL A 431 22.622 17.614 -9.159 1.00 2.21 H new ATOM 0 HG23 VAL A 431 22.462 19.328 -9.609 1.00 2.21 H new ATOM 1153 N LEU A 432 26.963 17.388 -11.212 1.00 74.02 N ATOM 1154 CA LEU A 432 28.074 17.265 -12.124 1.00 21.12 C ATOM 1155 C LEU A 432 28.221 15.834 -12.632 1.00 31.24 C ATOM 1156 O LEU A 432 28.402 14.905 -11.854 1.00 53.44 O ATOM 1157 CB LEU A 432 29.362 17.709 -11.418 1.00 54.33 C ATOM 1158 CG LEU A 432 30.633 17.715 -12.264 1.00 62.31 C ATOM 1159 CD1 LEU A 432 30.504 18.695 -13.416 1.00 71.32 C ATOM 1160 CD2 LEU A 432 31.842 18.050 -11.405 1.00 14.04 C ATOM 0 H LEU A 432 26.904 16.653 -10.508 1.00 74.02 H new ATOM 0 HA LEU A 432 27.886 17.905 -12.986 1.00 21.12 H new ATOM 0 HB2 LEU A 432 29.208 18.714 -11.026 1.00 54.33 H new ATOM 0 HB3 LEU A 432 29.525 17.055 -10.561 1.00 54.33 H new ATOM 0 HG LEU A 432 30.774 16.718 -12.681 1.00 62.31 H new ATOM 0 HD11 LEU A 432 31.420 18.685 -14.007 1.00 71.32 H new ATOM 0 HD12 LEU A 432 29.662 18.407 -14.046 1.00 71.32 H new ATOM 0 HD13 LEU A 432 30.337 19.698 -13.023 1.00 71.32 H new ATOM 0 HD21 LEU A 432 32.739 18.050 -12.024 1.00 14.04 H new ATOM 0 HD22 LEU A 432 31.709 19.035 -10.958 1.00 14.04 H new ATOM 0 HD23 LEU A 432 31.945 17.305 -10.616 1.00 14.04 H new ATOM 1172 N GLU A 433 28.129 15.649 -13.924 1.00 73.41 N ATOM 1173 CA GLU A 433 28.347 14.348 -14.506 1.00 51.02 C ATOM 1174 C GLU A 433 29.847 14.124 -14.672 1.00 43.25 C ATOM 1175 O GLU A 433 30.442 14.470 -15.699 1.00 53.41 O ATOM 1176 CB GLU A 433 27.622 14.195 -15.851 1.00 43.34 C ATOM 1177 CG GLU A 433 27.836 12.844 -16.525 1.00 53.21 C ATOM 1178 CD GLU A 433 27.245 12.791 -17.902 1.00 44.24 C ATOM 1179 OE1 GLU A 433 27.837 13.379 -18.832 1.00 60.13 O ATOM 1180 OE2 GLU A 433 26.194 12.185 -18.096 1.00 1.20 O ATOM 0 H GLU A 433 27.904 16.384 -14.595 1.00 73.41 H new ATOM 0 HA GLU A 433 27.933 13.593 -13.837 1.00 51.02 H new ATOM 0 HB2 GLU A 433 26.554 14.346 -15.695 1.00 43.34 H new ATOM 0 HB3 GLU A 433 27.960 14.982 -16.525 1.00 43.34 H new ATOM 0 HG2 GLU A 433 28.904 12.635 -16.583 1.00 53.21 H new ATOM 0 HG3 GLU A 433 27.391 12.061 -15.911 1.00 53.21 H new ATOM 1187 N ALA A 434 30.463 13.623 -13.640 1.00 42.42 N ATOM 1188 CA ALA A 434 31.887 13.377 -13.661 1.00 43.21 C ATOM 1189 C ALA A 434 32.180 11.899 -13.824 1.00 2.21 C ATOM 1190 O ALA A 434 33.326 11.499 -14.092 1.00 74.12 O ATOM 1191 CB ALA A 434 32.535 13.917 -12.399 1.00 41.13 C ATOM 0 H ALA A 434 30.003 13.373 -12.765 1.00 42.42 H new ATOM 0 HA ALA A 434 32.311 13.899 -14.519 1.00 43.21 H new ATOM 0 HB1 ALA A 434 33.607 13.724 -12.429 1.00 41.13 H new ATOM 0 HB2 ALA A 434 32.361 14.991 -12.332 1.00 41.13 H new ATOM 0 HB3 ALA A 434 32.102 13.424 -11.528 1.00 41.13 H new ATOM 1197 N GLN A 435 31.162 11.088 -13.668 1.00 22.03 N ATOM 1198 CA GLN A 435 31.316 9.663 -13.788 1.00 12.43 C ATOM 1199 C GLN A 435 30.513 9.154 -14.965 1.00 21.12 C ATOM 1200 O GLN A 435 29.771 9.922 -15.569 1.00 51.43 O ATOM 1201 CB GLN A 435 30.928 8.946 -12.493 1.00 70.40 C ATOM 1202 CG GLN A 435 31.762 9.353 -11.297 1.00 14.45 C ATOM 1203 CD GLN A 435 31.451 8.546 -10.059 1.00 63.11 C ATOM 1204 OE1 GLN A 435 32.064 7.512 -9.810 1.00 11.31 O ATOM 1205 NE2 GLN A 435 30.505 8.997 -9.278 1.00 13.11 N ATOM 0 H GLN A 435 30.213 11.396 -13.456 1.00 22.03 H new ATOM 0 HA GLN A 435 32.369 9.444 -13.967 1.00 12.43 H new ATOM 0 HB2 GLN A 435 29.878 9.147 -12.278 1.00 70.40 H new ATOM 0 HB3 GLN A 435 31.023 7.870 -12.642 1.00 70.40 H new ATOM 0 HG2 GLN A 435 32.818 9.240 -11.542 1.00 14.45 H new ATOM 0 HG3 GLN A 435 31.595 10.409 -11.087 1.00 14.45 H new ATOM 0 HE21 GLN A 435 30.016 9.860 -9.515 1.00 13.11 H new ATOM 0 HE22 GLN A 435 30.256 8.486 -8.431 1.00 13.11 H new ATOM 1214 N LYS A 436 30.671 7.868 -15.270 1.00 24.11 N ATOM 1215 CA LYS A 436 30.029 7.179 -16.417 1.00 72.42 C ATOM 1216 C LYS A 436 28.494 7.401 -16.590 1.00 33.42 C ATOM 1217 O LYS A 436 27.674 6.589 -16.162 1.00 41.53 O ATOM 1218 CB LYS A 436 30.451 5.679 -16.471 1.00 54.55 C ATOM 1219 CG LYS A 436 30.479 4.913 -15.106 1.00 53.20 C ATOM 1220 CD LYS A 436 29.124 4.852 -14.405 1.00 33.41 C ATOM 1221 CE LYS A 436 29.179 4.068 -13.103 1.00 14.11 C ATOM 1222 NZ LYS A 436 30.079 4.677 -12.097 1.00 21.13 N ATOM 0 H LYS A 436 31.264 7.248 -14.718 1.00 24.11 H new ATOM 0 HA LYS A 436 30.424 7.680 -17.301 1.00 72.42 H new ATOM 0 HB2 LYS A 436 29.769 5.156 -17.142 1.00 54.55 H new ATOM 0 HB3 LYS A 436 31.444 5.620 -16.916 1.00 54.55 H new ATOM 0 HG2 LYS A 436 30.835 3.897 -15.278 1.00 53.20 H new ATOM 0 HG3 LYS A 436 31.198 5.395 -14.444 1.00 53.20 H new ATOM 0 HD2 LYS A 436 28.778 5.865 -14.201 1.00 33.41 H new ATOM 0 HD3 LYS A 436 28.394 4.393 -15.071 1.00 33.41 H new ATOM 0 HE2 LYS A 436 28.174 3.995 -12.687 1.00 14.11 H new ATOM 0 HE3 LYS A 436 29.512 3.051 -13.312 1.00 14.11 H new ATOM 0 HZ1 LYS A 436 30.075 4.099 -11.232 1.00 21.13 H new ATOM 0 HZ2 LYS A 436 31.045 4.723 -12.478 1.00 21.13 H new ATOM 0 HZ3 LYS A 436 29.749 5.638 -11.873 1.00 21.13 H new ATOM 1236 N CYS A 437 28.127 8.545 -17.211 1.00 23.45 N ATOM 1237 CA CYS A 437 26.717 8.960 -17.377 1.00 11.43 C ATOM 1238 C CYS A 437 26.063 9.044 -16.006 1.00 43.15 C ATOM 1239 O CYS A 437 24.838 8.956 -15.853 1.00 63.04 O ATOM 1240 CB CYS A 437 25.964 7.984 -18.297 1.00 51.31 C ATOM 1241 SG CYS A 437 26.643 7.889 -19.997 1.00 33.34 S ATOM 0 H CYS A 437 28.797 9.203 -17.609 1.00 23.45 H new ATOM 0 HA CYS A 437 26.678 9.941 -17.851 1.00 11.43 H new ATOM 0 HB2 CYS A 437 25.987 6.990 -17.851 1.00 51.31 H new ATOM 0 HB3 CYS A 437 24.918 8.285 -18.351 1.00 51.31 H new ATOM 1246 N GLU A 438 26.905 9.264 -15.019 1.00 42.10 N ATOM 1247 CA GLU A 438 26.523 9.289 -13.667 1.00 2.13 C ATOM 1248 C GLU A 438 26.697 10.684 -13.116 1.00 32.32 C ATOM 1249 O GLU A 438 27.805 11.260 -13.118 1.00 62.41 O ATOM 1250 CB GLU A 438 27.314 8.227 -12.911 1.00 73.31 C ATOM 1251 CG GLU A 438 27.065 8.149 -11.425 1.00 65.45 C ATOM 1252 CD GLU A 438 27.719 6.927 -10.827 1.00 45.22 C ATOM 1253 OE1 GLU A 438 28.953 6.793 -10.915 1.00 53.54 O ATOM 1254 OE2 GLU A 438 27.008 6.064 -10.305 1.00 74.02 O ATOM 0 H GLU A 438 27.900 9.433 -15.165 1.00 42.10 H new ATOM 0 HA GLU A 438 25.467 9.045 -13.549 1.00 2.13 H new ATOM 0 HB2 GLU A 438 27.088 7.254 -13.349 1.00 73.31 H new ATOM 0 HB3 GLU A 438 28.376 8.410 -13.072 1.00 73.31 H new ATOM 0 HG2 GLU A 438 27.452 9.046 -10.941 1.00 65.45 H new ATOM 0 HG3 GLU A 438 25.992 8.121 -11.234 1.00 65.45 H new ATOM 1261 N TYR A 439 25.608 11.212 -12.664 1.00 4.51 N ATOM 1262 CA TYR A 439 25.505 12.561 -12.218 1.00 72.11 C ATOM 1263 C TYR A 439 25.707 12.659 -10.721 1.00 31.14 C ATOM 1264 O TYR A 439 25.003 12.014 -9.942 1.00 3.24 O ATOM 1265 CB TYR A 439 24.113 13.108 -12.604 1.00 30.24 C ATOM 1266 CG TYR A 439 23.871 13.233 -14.099 1.00 51.14 C ATOM 1267 CD1 TYR A 439 23.676 12.108 -14.898 1.00 52.30 C ATOM 1268 CD2 TYR A 439 23.830 14.478 -14.709 1.00 22.32 C ATOM 1269 CE1 TYR A 439 23.450 12.224 -16.252 1.00 75.43 C ATOM 1270 CE2 TYR A 439 23.600 14.602 -16.062 1.00 61.33 C ATOM 1271 CZ TYR A 439 23.411 13.477 -16.830 1.00 63.24 C ATOM 1272 OH TYR A 439 23.177 13.605 -18.182 1.00 2.00 O ATOM 0 H TYR A 439 24.732 10.695 -12.593 1.00 4.51 H new ATOM 0 HA TYR A 439 26.285 13.153 -12.696 1.00 72.11 H new ATOM 0 HB2 TYR A 439 23.351 12.454 -12.180 1.00 30.24 H new ATOM 0 HB3 TYR A 439 23.983 14.088 -12.146 1.00 30.24 H new ATOM 0 HD1 TYR A 439 23.703 11.127 -14.447 1.00 52.30 H new ATOM 0 HD2 TYR A 439 23.981 15.366 -14.113 1.00 22.32 H new ATOM 0 HE1 TYR A 439 23.304 11.341 -16.857 1.00 75.43 H new ATOM 0 HE2 TYR A 439 23.568 15.580 -16.518 1.00 61.33 H new ATOM 0 HH TYR A 439 23.181 14.554 -18.426 1.00 2.00 H new ATOM 1282 N LEU A 440 26.683 13.445 -10.333 1.00 23.31 N ATOM 1283 CA LEU A 440 26.964 13.707 -8.934 1.00 24.44 C ATOM 1284 C LEU A 440 25.983 14.765 -8.488 1.00 23.33 C ATOM 1285 O LEU A 440 25.947 15.847 -9.065 1.00 14.21 O ATOM 1286 CB LEU A 440 28.383 14.300 -8.747 1.00 31.21 C ATOM 1287 CG LEU A 440 29.589 13.515 -9.280 1.00 33.23 C ATOM 1288 CD1 LEU A 440 30.863 14.308 -9.049 1.00 10.45 C ATOM 1289 CD2 LEU A 440 29.703 12.169 -8.613 1.00 43.34 C ATOM 0 H LEU A 440 27.310 13.925 -10.979 1.00 23.31 H new ATOM 0 HA LEU A 440 26.889 12.778 -8.370 1.00 24.44 H new ATOM 0 HB2 LEU A 440 28.395 15.283 -9.218 1.00 31.21 H new ATOM 0 HB3 LEU A 440 28.537 14.457 -7.679 1.00 31.21 H new ATOM 0 HG LEU A 440 29.443 13.356 -10.348 1.00 33.23 H new ATOM 0 HD11 LEU A 440 31.716 13.746 -9.429 1.00 10.45 H new ATOM 0 HD12 LEU A 440 30.797 15.263 -9.570 1.00 10.45 H new ATOM 0 HD13 LEU A 440 30.993 14.485 -7.981 1.00 10.45 H new ATOM 0 HD21 LEU A 440 30.567 11.637 -9.012 1.00 43.34 H new ATOM 0 HD22 LEU A 440 29.825 12.305 -7.538 1.00 43.34 H new ATOM 0 HD23 LEU A 440 28.800 11.590 -8.805 1.00 43.34 H new ATOM 1301 N ILE A 441 25.191 14.467 -7.524 1.00 61.25 N ATOM 1302 CA ILE A 441 24.243 15.416 -7.022 1.00 22.52 C ATOM 1303 C ILE A 441 24.726 15.894 -5.667 1.00 61.12 C ATOM 1304 O ILE A 441 24.911 15.101 -4.756 1.00 45.41 O ATOM 1305 CB ILE A 441 22.839 14.790 -6.910 1.00 40.44 C ATOM 1306 CG1 ILE A 441 22.425 14.212 -8.265 1.00 23.34 C ATOM 1307 CG2 ILE A 441 21.829 15.842 -6.464 1.00 61.53 C ATOM 1308 CD1 ILE A 441 21.101 13.507 -8.244 1.00 20.22 C ATOM 0 H ILE A 441 25.175 13.561 -7.055 1.00 61.25 H new ATOM 0 HA ILE A 441 24.165 16.258 -7.710 1.00 22.52 H new ATOM 0 HB ILE A 441 22.863 13.991 -6.169 1.00 40.44 H new ATOM 0 HG12 ILE A 441 22.385 15.019 -8.997 1.00 23.34 H new ATOM 0 HG13 ILE A 441 23.192 13.515 -8.602 1.00 23.34 H new ATOM 0 HG21 ILE A 441 20.841 15.389 -6.388 1.00 61.53 H new ATOM 0 HG22 ILE A 441 22.122 16.238 -5.492 1.00 61.53 H new ATOM 0 HG23 ILE A 441 21.802 16.652 -7.193 1.00 61.53 H new ATOM 0 HD11 ILE A 441 20.876 13.125 -9.240 1.00 20.22 H new ATOM 0 HD12 ILE A 441 21.142 12.678 -7.538 1.00 20.22 H new ATOM 0 HD13 ILE A 441 20.322 14.205 -7.939 1.00 20.22 H new ATOM 1320 N LYS A 442 24.930 17.167 -5.547 1.00 74.41 N ATOM 1321 CA LYS A 442 25.518 17.752 -4.363 1.00 32.20 C ATOM 1322 C LYS A 442 24.380 18.461 -3.599 1.00 24.51 C ATOM 1323 O LYS A 442 23.796 19.431 -4.107 1.00 65.10 O ATOM 1324 CB LYS A 442 26.587 18.736 -4.900 1.00 1.25 C ATOM 1325 CG LYS A 442 27.737 19.157 -3.991 1.00 2.41 C ATOM 1326 CD LYS A 442 27.356 20.044 -2.838 1.00 31.11 C ATOM 1327 CE LYS A 442 28.630 20.556 -2.188 1.00 20.42 C ATOM 1328 NZ LYS A 442 28.391 21.497 -1.085 1.00 42.04 N ATOM 0 H LYS A 442 24.694 17.845 -6.271 1.00 74.41 H new ATOM 0 HA LYS A 442 25.983 17.045 -3.676 1.00 32.20 H new ATOM 0 HB2 LYS A 442 27.023 18.291 -5.794 1.00 1.25 H new ATOM 0 HB3 LYS A 442 26.070 19.642 -5.215 1.00 1.25 H new ATOM 0 HG2 LYS A 442 28.212 18.259 -3.595 1.00 2.41 H new ATOM 0 HG3 LYS A 442 28.484 19.674 -4.594 1.00 2.41 H new ATOM 0 HD2 LYS A 442 26.746 20.878 -3.186 1.00 31.11 H new ATOM 0 HD3 LYS A 442 26.757 19.490 -2.115 1.00 31.11 H new ATOM 0 HE2 LYS A 442 29.203 19.708 -1.813 1.00 20.42 H new ATOM 0 HE3 LYS A 442 29.243 21.045 -2.945 1.00 20.42 H new ATOM 0 HZ1 LYS A 442 29.140 22.219 -1.076 1.00 42.04 H new ATOM 0 HZ2 LYS A 442 27.468 21.957 -1.215 1.00 42.04 H new ATOM 0 HZ3 LYS A 442 28.397 20.982 -0.182 1.00 42.04 H new ATOM 1342 N MET A 443 24.044 17.965 -2.399 1.00 33.10 N ATOM 1343 CA MET A 443 22.875 18.443 -1.660 1.00 14.34 C ATOM 1344 C MET A 443 23.103 18.491 -0.176 1.00 61.22 C ATOM 1345 O MET A 443 24.169 18.140 0.336 1.00 25.41 O ATOM 1346 CB MET A 443 21.656 17.534 -1.882 1.00 1.20 C ATOM 1347 CG MET A 443 21.047 17.566 -3.251 1.00 53.11 C ATOM 1348 SD MET A 443 19.608 16.491 -3.385 1.00 44.20 S ATOM 1349 CE MET A 443 18.536 17.203 -2.128 1.00 73.01 C ATOM 0 H MET A 443 24.569 17.232 -1.922 1.00 33.10 H new ATOM 0 HA MET A 443 22.697 19.448 -2.044 1.00 14.34 H new ATOM 0 HB2 MET A 443 21.949 16.508 -1.662 1.00 1.20 H new ATOM 0 HB3 MET A 443 20.888 17.808 -1.159 1.00 1.20 H new ATOM 0 HG2 MET A 443 20.758 18.589 -3.494 1.00 53.11 H new ATOM 0 HG3 MET A 443 21.793 17.263 -3.985 1.00 53.11 H new ATOM 0 HE1 MET A 443 17.499 16.947 -2.346 1.00 73.01 H new ATOM 0 HE2 MET A 443 18.809 16.807 -1.150 1.00 73.01 H new ATOM 0 HE3 MET A 443 18.649 18.287 -2.125 1.00 73.01 H new ATOM 1359 N LYS A 444 22.060 18.901 0.503 1.00 72.32 N ATOM 1360 CA LYS A 444 22.000 18.981 1.920 1.00 13.41 C ATOM 1361 C LYS A 444 20.547 19.058 2.323 1.00 35.52 C ATOM 1362 O LYS A 444 19.705 19.405 1.496 1.00 50.14 O ATOM 1363 CB LYS A 444 22.762 20.200 2.417 1.00 22.24 C ATOM 1364 CG LYS A 444 22.283 21.519 1.882 1.00 11.10 C ATOM 1365 CD LYS A 444 23.235 22.577 2.315 1.00 54.10 C ATOM 1366 CE LYS A 444 22.731 23.970 1.970 1.00 54.15 C ATOM 1367 NZ LYS A 444 23.664 25.021 2.434 1.00 43.32 N ATOM 0 H LYS A 444 21.196 19.199 0.050 1.00 72.32 H new ATOM 0 HA LYS A 444 22.463 18.101 2.366 1.00 13.41 H new ATOM 0 HB2 LYS A 444 22.704 20.225 3.505 1.00 22.24 H new ATOM 0 HB3 LYS A 444 23.814 20.081 2.157 1.00 22.24 H new ATOM 0 HG2 LYS A 444 22.221 21.487 0.794 1.00 11.10 H new ATOM 0 HG3 LYS A 444 21.281 21.737 2.252 1.00 11.10 H new ATOM 0 HD2 LYS A 444 23.393 22.504 3.391 1.00 54.10 H new ATOM 0 HD3 LYS A 444 24.202 22.412 1.839 1.00 54.10 H new ATOM 0 HE2 LYS A 444 22.598 24.052 0.891 1.00 54.15 H new ATOM 0 HE3 LYS A 444 21.753 24.126 2.424 1.00 54.15 H new ATOM 0 HZ1 LYS A 444 23.287 25.957 2.181 1.00 43.32 H new ATOM 0 HZ2 LYS A 444 23.771 24.959 3.467 1.00 43.32 H new ATOM 0 HZ3 LYS A 444 24.591 24.887 1.981 1.00 43.32 H new ATOM 1381 N SER A 445 20.257 18.704 3.554 1.00 41.52 N ATOM 1382 CA SER A 445 18.915 18.747 4.103 1.00 75.34 C ATOM 1383 C SER A 445 18.998 18.543 5.609 1.00 54.21 C ATOM 1384 O SER A 445 19.926 17.887 6.076 1.00 0.10 O ATOM 1385 CB SER A 445 18.043 17.645 3.463 1.00 54.54 C ATOM 1386 OG SER A 445 18.641 16.370 3.605 1.00 43.24 O ATOM 0 H SER A 445 20.958 18.372 4.216 1.00 41.52 H new ATOM 0 HA SER A 445 18.458 19.713 3.887 1.00 75.34 H new ATOM 0 HB2 SER A 445 17.058 17.641 3.929 1.00 54.54 H new ATOM 0 HB3 SER A 445 17.894 17.864 2.406 1.00 54.54 H new ATOM 0 HG SER A 445 18.067 15.692 3.192 1.00 43.24 H new ATOM 1392 N PRO A 446 18.077 19.124 6.397 1.00 10.14 N ATOM 1393 CA PRO A 446 18.035 18.909 7.853 1.00 55.15 C ATOM 1394 C PRO A 446 17.695 17.457 8.188 1.00 44.24 C ATOM 1395 O PRO A 446 18.142 16.911 9.200 1.00 44.51 O ATOM 1396 CB PRO A 446 16.910 19.844 8.324 1.00 23.11 C ATOM 1397 CG PRO A 446 16.085 20.095 7.111 1.00 31.54 C ATOM 1398 CD PRO A 446 17.038 20.073 5.959 1.00 0.53 C ATOM 0 HA PRO A 446 18.993 19.111 8.332 1.00 55.15 H new ATOM 0 HB2 PRO A 446 16.319 19.383 9.115 1.00 23.11 H new ATOM 0 HB3 PRO A 446 17.312 20.773 8.727 1.00 23.11 H new ATOM 0 HG2 PRO A 446 15.315 19.332 6.997 1.00 31.54 H new ATOM 0 HG3 PRO A 446 15.574 21.055 7.177 1.00 31.54 H new ATOM 0 HD2 PRO A 446 16.552 19.742 5.041 1.00 0.53 H new ATOM 0 HD3 PRO A 446 17.453 21.061 5.761 1.00 0.53 H new ATOM 1406 N ALA A 447 16.947 16.827 7.292 1.00 62.13 N ATOM 1407 CA ALA A 447 16.507 15.455 7.458 1.00 60.20 C ATOM 1408 C ALA A 447 17.634 14.461 7.167 1.00 15.23 C ATOM 1409 O ALA A 447 17.470 13.251 7.342 1.00 21.15 O ATOM 1410 CB ALA A 447 15.307 15.178 6.570 1.00 50.31 C ATOM 0 H ALA A 447 16.628 17.260 6.425 1.00 62.13 H new ATOM 0 HA ALA A 447 16.215 15.321 8.500 1.00 60.20 H new ATOM 0 HB1 ALA A 447 14.986 14.145 6.704 1.00 50.31 H new ATOM 0 HB2 ALA A 447 14.492 15.849 6.840 1.00 50.31 H new ATOM 0 HB3 ALA A 447 15.580 15.341 5.528 1.00 50.31 H new ATOM 1416 N ALA A 448 18.766 14.975 6.717 1.00 14.14 N ATOM 1417 CA ALA A 448 19.902 14.142 6.386 1.00 42.43 C ATOM 1418 C ALA A 448 20.744 13.829 7.604 1.00 43.13 C ATOM 1419 O ALA A 448 21.375 12.771 7.667 1.00 14.23 O ATOM 1420 CB ALA A 448 20.743 14.803 5.339 1.00 1.22 C ATOM 0 H ALA A 448 18.920 15.973 6.573 1.00 14.14 H new ATOM 0 HA ALA A 448 19.515 13.200 5.998 1.00 42.43 H new ATOM 0 HB1 ALA A 448 21.594 14.165 5.100 1.00 1.22 H new ATOM 0 HB2 ALA A 448 20.146 14.964 4.441 1.00 1.22 H new ATOM 0 HB3 ALA A 448 21.102 15.762 5.713 1.00 1.22 H new ATOM 1426 N CYS A 449 20.780 14.757 8.559 1.00 45.42 N ATOM 1427 CA CYS A 449 21.521 14.534 9.806 1.00 33.15 C ATOM 1428 C CYS A 449 20.895 13.443 10.661 1.00 43.40 C ATOM 1429 O CYS A 449 20.044 13.701 11.521 1.00 42.33 O ATOM 1430 CB CYS A 449 21.729 15.819 10.632 1.00 42.11 C ATOM 1431 SG CYS A 449 22.944 16.991 9.948 1.00 1.11 S ATOM 0 H CYS A 449 20.312 15.661 8.498 1.00 45.42 H new ATOM 0 HA CYS A 449 22.508 14.195 9.492 1.00 33.15 H new ATOM 0 HB2 CYS A 449 20.771 16.329 10.729 1.00 42.11 H new ATOM 0 HB3 CYS A 449 22.044 15.539 11.637 1.00 42.11 H new ATOM 1436 N SER A 450 21.262 12.238 10.372 1.00 12.23 N ATOM 1437 CA SER A 450 20.828 11.078 11.079 1.00 53.11 C ATOM 1438 C SER A 450 21.921 10.040 10.957 1.00 64.42 C ATOM 1439 O SER A 450 22.733 9.919 11.879 1.00 37.21 O ATOM 1440 CB SER A 450 19.498 10.556 10.504 1.00 71.42 C ATOM 1441 OG SER A 450 18.477 11.553 10.599 1.00 65.54 O ATOM 1442 OXT SER A 450 22.026 9.403 9.896 1.00 37.21 O ATOM 0 H SER A 450 21.899 12.026 9.604 1.00 12.23 H new ATOM 0 HA SER A 450 20.647 11.312 12.128 1.00 53.11 H new ATOM 0 HB2 SER A 450 19.635 10.268 9.462 1.00 71.42 H new ATOM 0 HB3 SER A 450 19.190 9.661 11.044 1.00 71.42 H new ATOM 0 HG SER A 450 17.641 11.202 10.227 1.00 65.54 H new TER 1448 SER A 450