USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 311 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 131 THR OG1 : rot 82:sc= 0.56 USER MOD Set 1.2: A 148 THR OG1 : rot 180:sc= -0.166 USER MOD Set 2.1: A 105 THR OG1 : rot 170:sc= -0.688 USER MOD Set 2.2: A 119 THR OG1 : rot 144:sc= 0.649 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.0834 USER MOD Single : A 117 THR OG1 : rot 35:sc= 0.164 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl -144:sc= 0 (180deg=-0.27) USER MOD Single : A 130 THR OG1 : rot 170:sc= -0.853 USER MOD Single : A 150 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 152 SER OG : rot 180:sc= 0.0322 USER MOD Single : A 153 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 154 SER OG : rot 51:sc= 0.0288 USER MOD Single : A 178 ASN :FLIP amide:sc= -1.71 F(o=-3.7,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.794 -0.847 0.799 1.00 0.00 N ATOM 2 CA MET A 100 2.357 -1.037 -0.533 1.00 0.00 C ATOM 3 C MET A 100 3.791 -1.549 -0.449 1.00 0.00 C ATOM 4 O MET A 100 4.504 -1.274 0.517 1.00 0.00 O ATOM 5 CB MET A 100 2.316 0.275 -1.318 1.00 0.00 C ATOM 6 CG MET A 100 2.650 0.112 -2.792 1.00 0.00 C ATOM 7 SD MET A 100 1.835 1.340 -3.830 1.00 0.00 S ATOM 8 CE MET A 100 0.440 0.397 -4.440 1.00 0.00 C ATOM 0 HA MET A 100 1.755 -1.782 -1.053 1.00 0.00 H new ATOM 0 HB2 MET A 100 1.322 0.713 -1.225 1.00 0.00 H new ATOM 0 HB3 MET A 100 3.018 0.979 -0.870 1.00 0.00 H new ATOM 0 HG2 MET A 100 3.729 0.187 -2.926 1.00 0.00 H new ATOM 0 HG3 MET A 100 2.357 -0.886 -3.119 1.00 0.00 H new ATOM 0 HE1 MET A 100 -0.162 1.023 -5.099 1.00 0.00 H new ATOM 0 HE2 MET A 100 0.801 -0.470 -4.993 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.169 0.064 -3.600 1.00 0.00 H new ATOM 18 N LEU A 101 4.208 -2.295 -1.466 1.00 0.00 N ATOM 19 CA LEU A 101 5.558 -2.846 -1.507 1.00 0.00 C ATOM 20 C LEU A 101 6.591 -1.743 -1.715 1.00 0.00 C ATOM 21 O LEU A 101 6.505 -0.968 -2.667 1.00 0.00 O ATOM 22 CB LEU A 101 5.673 -3.884 -2.625 1.00 0.00 C ATOM 23 CG LEU A 101 6.615 -5.058 -2.357 1.00 0.00 C ATOM 24 CD1 LEU A 101 7.108 -5.656 -3.666 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.788 -4.615 -1.495 1.00 0.00 C ATOM 0 H LEU A 101 3.631 -2.532 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 101 5.756 -3.328 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.679 -4.281 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.005 -3.377 -3.531 1.00 0.00 H new ATOM 0 HG LEU A 101 6.063 -5.826 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.777 -6.490 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.257 -6.011 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.644 -4.896 -4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.448 -5.464 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.341 -3.829 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.417 -4.235 -0.543 1.00 0.00 H new ATOM 37 N LYS A 102 7.569 -1.679 -0.818 1.00 0.00 N ATOM 38 CA LYS A 102 8.622 -0.674 -0.903 1.00 0.00 C ATOM 39 C LYS A 102 9.999 -1.329 -0.941 1.00 0.00 C ATOM 40 O LYS A 102 10.287 -2.236 -0.159 1.00 0.00 O ATOM 41 CB LYS A 102 8.535 0.287 0.285 1.00 0.00 C ATOM 42 CG LYS A 102 7.447 1.338 0.139 1.00 0.00 C ATOM 43 CD LYS A 102 6.669 1.518 1.431 1.00 0.00 C ATOM 44 CE LYS A 102 5.235 1.948 1.163 1.00 0.00 C ATOM 45 NZ LYS A 102 4.828 3.091 2.026 1.00 0.00 N ATOM 0 H LYS A 102 7.654 -2.312 -0.023 1.00 0.00 H new ATOM 0 HA LYS A 102 8.481 -0.114 -1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.354 -0.287 1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.496 0.786 0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.894 2.288 -0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.765 1.048 -0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.671 0.583 1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.163 2.264 2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.130 2.229 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.565 1.106 1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 3.845 3.354 1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.904 2.815 3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.451 3.903 1.843 1.00 0.00 H new ATOM 59 N CYS A 103 10.846 -0.864 -1.852 1.00 0.00 N ATOM 60 CA CYS A 103 12.193 -1.404 -1.991 1.00 0.00 C ATOM 61 C CYS A 103 13.221 -0.281 -2.093 1.00 0.00 C ATOM 62 O CYS A 103 12.933 0.792 -2.623 1.00 0.00 O ATOM 63 CB CYS A 103 12.280 -2.303 -3.226 1.00 0.00 C ATOM 64 SG CYS A 103 10.802 -3.331 -3.503 1.00 0.00 S ATOM 0 H CYS A 103 10.623 -0.114 -2.506 1.00 0.00 H new ATOM 0 HA CYS A 103 12.414 -1.996 -1.103 1.00 0.00 H new ATOM 0 HB2 CYS A 103 12.446 -1.680 -4.105 1.00 0.00 H new ATOM 0 HB3 CYS A 103 13.149 -2.954 -3.128 1.00 0.00 H new ATOM 69 N TYR A 104 14.420 -0.536 -1.581 1.00 0.00 N ATOM 70 CA TYR A 104 15.490 0.454 -1.611 1.00 0.00 C ATOM 71 C TYR A 104 16.023 0.636 -3.029 1.00 0.00 C ATOM 72 O TYR A 104 17.064 0.086 -3.391 1.00 0.00 O ATOM 73 CB TYR A 104 16.627 0.035 -0.678 1.00 0.00 C ATOM 74 CG TYR A 104 16.389 0.403 0.769 1.00 0.00 C ATOM 75 CD1 TYR A 104 16.369 1.731 1.175 1.00 0.00 C ATOM 76 CD2 TYR A 104 16.182 -0.579 1.731 1.00 0.00 C ATOM 77 CE1 TYR A 104 16.152 2.072 2.496 1.00 0.00 C ATOM 78 CE2 TYR A 104 15.963 -0.248 3.054 1.00 0.00 C ATOM 79 CZ TYR A 104 15.950 1.079 3.432 1.00 0.00 C ATOM 80 OH TYR A 104 15.732 1.414 4.749 1.00 0.00 O ATOM 0 H TYR A 104 14.675 -1.420 -1.140 1.00 0.00 H new ATOM 0 HA TYR A 104 15.081 1.405 -1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 104 16.768 -1.043 -0.752 1.00 0.00 H new ATOM 0 HB3 TYR A 104 17.553 0.501 -1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 104 16.526 2.511 0.445 1.00 0.00 H new ATOM 0 HD2 TYR A 104 16.193 -1.619 1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 104 16.141 3.110 2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 104 15.803 -1.023 3.788 1.00 0.00 H new ATOM 0 HH TYR A 104 15.607 0.598 5.278 1.00 0.00 H new ATOM 90 N THR A 105 15.301 1.414 -3.830 1.00 0.00 N ATOM 91 CA THR A 105 15.699 1.670 -5.209 1.00 0.00 C ATOM 92 C THR A 105 16.191 3.102 -5.382 1.00 0.00 C ATOM 93 O THR A 105 15.493 4.056 -5.035 1.00 0.00 O ATOM 94 CB THR A 105 14.535 1.417 -6.185 1.00 0.00 C ATOM 95 OG1 THR A 105 13.657 2.549 -6.205 1.00 0.00 O ATOM 96 CG2 THR A 105 13.756 0.172 -5.789 1.00 0.00 C ATOM 0 H THR A 105 14.438 1.878 -3.547 1.00 0.00 H new ATOM 0 HA THR A 105 16.511 0.980 -5.437 1.00 0.00 H new ATOM 0 HB THR A 105 14.952 1.263 -7.180 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.015 2.452 -6.939 1.00 0.00 H new ATOM 0 HG21 THR A 105 12.939 0.015 -6.493 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.420 -0.693 -5.804 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.350 0.301 -4.786 1.00 0.00 H new ATOM 104 N CYS A 106 17.396 3.248 -5.922 1.00 0.00 N ATOM 105 CA CYS A 106 17.982 4.564 -6.142 1.00 0.00 C ATOM 106 C CYS A 106 17.470 5.177 -7.442 1.00 0.00 C ATOM 107 O CYS A 106 16.615 4.604 -8.118 1.00 0.00 O ATOM 108 CB CYS A 106 19.509 4.466 -6.178 1.00 0.00 C ATOM 109 SG CYS A 106 20.148 3.249 -7.372 1.00 0.00 S ATOM 0 H CYS A 106 17.986 2.470 -6.216 1.00 0.00 H new ATOM 0 HA CYS A 106 17.685 5.209 -5.315 1.00 0.00 H new ATOM 0 HB2 CYS A 106 19.920 5.446 -6.420 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.869 4.206 -5.183 1.00 0.00 H new ATOM 0 HG CYS A 106 21.447 3.241 -7.330 1.00 0.00 H new ATOM 262 N THR A 117 17.757 4.064 -1.385 1.00 0.00 N ATOM 263 CA THR A 117 16.688 5.044 -1.241 1.00 0.00 C ATOM 264 C THR A 117 15.322 4.367 -1.207 1.00 0.00 C ATOM 265 O THR A 117 15.017 3.521 -2.048 1.00 0.00 O ATOM 266 CB THR A 117 16.709 6.071 -2.389 1.00 0.00 C ATOM 267 OG1 THR A 117 18.026 6.615 -2.535 1.00 0.00 O ATOM 268 CG2 THR A 117 15.717 7.194 -2.129 1.00 0.00 C ATOM 0 HA THR A 117 16.859 5.561 -0.297 1.00 0.00 H new ATOM 0 HB THR A 117 16.423 5.561 -3.309 1.00 0.00 H new ATOM 0 HG1 THR A 117 18.690 5.921 -2.339 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.750 7.907 -2.953 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.712 6.780 -2.047 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.977 7.701 -1.200 1.00 0.00 H new ATOM 276 N ILE A 118 14.505 4.743 -0.229 1.00 0.00 N ATOM 277 CA ILE A 118 13.171 4.173 -0.087 1.00 0.00 C ATOM 278 C ILE A 118 12.263 4.606 -1.232 1.00 0.00 C ATOM 279 O ILE A 118 11.986 5.793 -1.406 1.00 0.00 O ATOM 280 CB ILE A 118 12.524 4.581 1.250 1.00 0.00 C ATOM 281 CG1 ILE A 118 13.404 4.144 2.423 1.00 0.00 C ATOM 282 CG2 ILE A 118 11.132 3.978 1.370 1.00 0.00 C ATOM 283 CD1 ILE A 118 12.834 4.511 3.775 1.00 0.00 C ATOM 0 H ILE A 118 14.743 5.440 0.477 1.00 0.00 H new ATOM 0 HA ILE A 118 13.287 3.089 -0.109 1.00 0.00 H new ATOM 0 HB ILE A 118 12.432 5.667 1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 118 13.545 3.064 2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.389 4.599 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.687 4.275 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.509 4.335 0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.201 2.891 1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.510 4.171 4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.719 5.593 3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 118 11.862 4.034 3.902 1.00 0.00 H new ATOM 295 N THR A 119 11.799 3.634 -2.012 1.00 0.00 N ATOM 296 CA THR A 119 10.921 3.914 -3.141 1.00 0.00 C ATOM 297 C THR A 119 9.692 3.013 -3.118 1.00 0.00 C ATOM 298 O THR A 119 9.764 1.860 -2.693 1.00 0.00 O ATOM 299 CB THR A 119 11.654 3.729 -4.483 1.00 0.00 C ATOM 300 OG1 THR A 119 12.676 4.722 -4.624 1.00 0.00 O ATOM 301 CG2 THR A 119 10.682 3.824 -5.649 1.00 0.00 C ATOM 0 H THR A 119 12.017 2.646 -1.882 1.00 0.00 H new ATOM 0 HA THR A 119 10.608 4.954 -3.047 1.00 0.00 H new ATOM 0 HB THR A 119 12.108 2.738 -4.490 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.452 4.331 -5.078 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.223 3.690 -6.586 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.923 3.047 -5.554 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.202 4.803 -5.644 1.00 0.00 H new ATOM 309 N ARG A 120 8.564 3.546 -3.578 1.00 0.00 N ATOM 310 CA ARG A 120 7.319 2.789 -3.610 1.00 0.00 C ATOM 311 C ARG A 120 7.193 2.002 -4.911 1.00 0.00 C ATOM 312 O ARG A 120 7.234 2.574 -6.001 1.00 0.00 O ATOM 313 CB ARG A 120 6.122 3.728 -3.451 1.00 0.00 C ATOM 314 CG ARG A 120 6.403 4.928 -2.561 1.00 0.00 C ATOM 315 CD ARG A 120 5.123 5.491 -1.965 1.00 0.00 C ATOM 316 NE ARG A 120 4.350 6.251 -2.945 1.00 0.00 N ATOM 317 CZ ARG A 120 3.210 6.871 -2.661 1.00 0.00 C ATOM 318 NH1 ARG A 120 2.713 6.822 -1.433 1.00 0.00 N ATOM 319 NH2 ARG A 120 2.566 7.542 -3.606 1.00 0.00 N ATOM 0 H ARG A 120 8.487 4.499 -3.933 1.00 0.00 H new ATOM 0 HA ARG A 120 7.331 2.083 -2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.814 4.081 -4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.284 3.168 -3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.082 4.637 -1.759 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.907 5.702 -3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 120 4.514 4.674 -1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 120 5.369 6.134 -1.120 1.00 0.00 H new ATOM 0 HE ARG A 120 4.705 6.309 -3.899 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.206 6.307 -0.703 1.00 0.00 H new ATOM 0 HH12 ARG A 120 1.837 7.299 -1.218 1.00 0.00 H new ATOM 0 HH21 ARG A 120 2.946 7.582 -4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 120 1.691 8.018 -3.387 1.00 0.00 H new ATOM 333 N CYS A 121 7.041 0.688 -4.790 1.00 0.00 N ATOM 334 CA CYS A 121 6.910 -0.178 -5.956 1.00 0.00 C ATOM 335 C CYS A 121 5.534 -0.023 -6.597 1.00 0.00 C ATOM 336 O CYS A 121 4.680 0.706 -6.092 1.00 0.00 O ATOM 337 CB CYS A 121 7.139 -1.638 -5.560 1.00 0.00 C ATOM 338 SG CYS A 121 8.833 -1.999 -4.997 1.00 0.00 S ATOM 0 H CYS A 121 7.005 0.199 -3.896 1.00 0.00 H new ATOM 0 HA CYS A 121 7.665 0.117 -6.684 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.440 -1.902 -4.766 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.908 -2.275 -6.414 1.00 0.00 H new ATOM 343 N LYS A 122 5.326 -0.715 -7.712 1.00 0.00 N ATOM 344 CA LYS A 122 4.054 -0.657 -8.423 1.00 0.00 C ATOM 345 C LYS A 122 3.057 -1.650 -7.835 1.00 0.00 C ATOM 346 O LYS A 122 3.419 -2.570 -7.102 1.00 0.00 O ATOM 347 CB LYS A 122 4.264 -0.948 -9.910 1.00 0.00 C ATOM 348 CG LYS A 122 5.640 -0.555 -10.419 1.00 0.00 C ATOM 349 CD LYS A 122 5.600 -0.155 -11.884 1.00 0.00 C ATOM 350 CE LYS A 122 6.700 0.841 -12.220 1.00 0.00 C ATOM 351 NZ LYS A 122 7.416 0.475 -13.473 1.00 0.00 N ATOM 0 H LYS A 122 6.022 -1.323 -8.143 1.00 0.00 H new ATOM 0 HA LYS A 122 3.648 0.348 -8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.110 -2.012 -10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.507 -0.416 -10.486 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.025 0.274 -9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.329 -1.389 -10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.708 -1.042 -12.508 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.629 0.282 -12.117 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.269 1.836 -12.326 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.412 0.888 -11.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.157 1.178 -13.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.849 -0.464 -13.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.742 0.455 -14.265 1.00 0.00 H new ATOM 365 N PRO A 123 1.770 -1.464 -8.165 1.00 0.00 N ATOM 366 CA PRO A 123 0.694 -2.335 -7.682 1.00 0.00 C ATOM 367 C PRO A 123 0.753 -3.726 -8.303 1.00 0.00 C ATOM 368 O PRO A 123 0.308 -4.703 -7.701 1.00 0.00 O ATOM 369 CB PRO A 123 -0.577 -1.606 -8.123 1.00 0.00 C ATOM 370 CG PRO A 123 -0.159 -0.790 -9.297 1.00 0.00 C ATOM 371 CD PRO A 123 1.266 -0.388 -9.035 1.00 0.00 C ATOM 0 HA PRO A 123 0.755 -2.501 -6.606 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -1.364 -2.310 -8.391 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.970 -0.977 -7.324 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -0.239 -1.364 -10.220 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -0.797 0.086 -9.410 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.840 -0.317 -9.959 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.326 0.585 -8.547 1.00 0.00 H new ATOM 379 N GLU A 124 1.305 -3.809 -9.509 1.00 0.00 N ATOM 380 CA GLU A 124 1.421 -5.082 -10.210 1.00 0.00 C ATOM 381 C GLU A 124 2.561 -5.918 -9.635 1.00 0.00 C ATOM 382 O GLU A 124 2.532 -7.148 -9.692 1.00 0.00 O ATOM 383 CB GLU A 124 1.650 -4.848 -11.705 1.00 0.00 C ATOM 384 CG GLU A 124 2.811 -3.914 -12.004 1.00 0.00 C ATOM 385 CD GLU A 124 2.369 -2.631 -12.680 1.00 0.00 C ATOM 386 OE1 GLU A 124 1.572 -1.885 -12.075 1.00 0.00 O ATOM 387 OE2 GLU A 124 2.821 -2.374 -13.816 1.00 0.00 O ATOM 0 H GLU A 124 1.679 -3.010 -10.021 1.00 0.00 H new ATOM 0 HA GLU A 124 0.488 -5.628 -10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.832 -5.807 -12.191 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.741 -4.436 -12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.326 -3.672 -11.074 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.530 -4.427 -12.642 1.00 0.00 H new ATOM 394 N ASP A 125 3.562 -5.242 -9.083 1.00 0.00 N ATOM 395 CA ASP A 125 4.712 -5.921 -8.497 1.00 0.00 C ATOM 396 C ASP A 125 4.397 -6.401 -7.083 1.00 0.00 C ATOM 397 O ASP A 125 3.659 -5.749 -6.344 1.00 0.00 O ATOM 398 CB ASP A 125 5.924 -4.990 -8.474 1.00 0.00 C ATOM 399 CG ASP A 125 6.767 -5.106 -9.730 1.00 0.00 C ATOM 400 OD1 ASP A 125 6.326 -5.787 -10.679 1.00 0.00 O ATOM 401 OD2 ASP A 125 7.867 -4.517 -9.763 1.00 0.00 O ATOM 0 H ASP A 125 3.601 -4.224 -9.029 1.00 0.00 H new ATOM 0 HA ASP A 125 4.943 -6.790 -9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.585 -3.960 -8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.539 -5.221 -7.604 1.00 0.00 H new ATOM 406 N THR A 126 4.961 -7.547 -6.713 1.00 0.00 N ATOM 407 CA THR A 126 4.738 -8.115 -5.390 1.00 0.00 C ATOM 408 C THR A 126 6.060 -8.410 -4.689 1.00 0.00 C ATOM 409 O THR A 126 6.109 -8.543 -3.467 1.00 0.00 O ATOM 410 CB THR A 126 3.911 -9.412 -5.467 1.00 0.00 C ATOM 411 OG1 THR A 126 4.414 -10.252 -6.512 1.00 0.00 O ATOM 412 CG2 THR A 126 2.443 -9.103 -5.719 1.00 0.00 C ATOM 0 H THR A 126 5.575 -8.099 -7.311 1.00 0.00 H new ATOM 0 HA THR A 126 4.183 -7.373 -4.817 1.00 0.00 H new ATOM 0 HB THR A 126 3.998 -9.930 -4.512 1.00 0.00 H new ATOM 0 HG1 THR A 126 3.884 -11.075 -6.553 1.00 0.00 H new ATOM 0 HG21 THR A 126 1.879 -10.034 -5.770 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.056 -8.488 -4.907 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.341 -8.565 -6.662 1.00 0.00 H new ATOM 420 N ALA A 127 7.130 -8.509 -5.471 1.00 0.00 N ATOM 421 CA ALA A 127 8.453 -8.785 -4.925 1.00 0.00 C ATOM 422 C ALA A 127 9.469 -7.751 -5.397 1.00 0.00 C ATOM 423 O ALA A 127 9.201 -6.978 -6.318 1.00 0.00 O ATOM 424 CB ALA A 127 8.902 -10.186 -5.313 1.00 0.00 C ATOM 0 H ALA A 127 7.106 -8.402 -6.485 1.00 0.00 H new ATOM 0 HA ALA A 127 8.391 -8.723 -3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.892 -10.379 -4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 127 8.195 -10.917 -4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 127 8.941 -10.268 -6.399 1.00 0.00 H new ATOM 430 N CYS A 128 10.635 -7.741 -4.761 1.00 0.00 N ATOM 431 CA CYS A 128 11.692 -6.801 -5.115 1.00 0.00 C ATOM 432 C CYS A 128 12.837 -7.513 -5.828 1.00 0.00 C ATOM 433 O CYS A 128 12.931 -8.740 -5.801 1.00 0.00 O ATOM 434 CB CYS A 128 12.216 -6.095 -3.863 1.00 0.00 C ATOM 435 SG CYS A 128 10.945 -5.170 -2.943 1.00 0.00 S ATOM 0 H CYS A 128 10.872 -8.374 -3.997 1.00 0.00 H new ATOM 0 HA CYS A 128 11.271 -6.059 -5.793 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.661 -6.837 -3.200 1.00 0.00 H new ATOM 0 HB3 CYS A 128 13.011 -5.408 -4.152 1.00 0.00 H new ATOM 440 N MET A 129 13.706 -6.735 -6.466 1.00 0.00 N ATOM 441 CA MET A 129 14.846 -7.291 -7.185 1.00 0.00 C ATOM 442 C MET A 129 16.119 -6.512 -6.872 1.00 0.00 C ATOM 443 O MET A 129 16.069 -5.326 -6.543 1.00 0.00 O ATOM 444 CB MET A 129 14.582 -7.277 -8.692 1.00 0.00 C ATOM 445 CG MET A 129 15.070 -8.527 -9.406 1.00 0.00 C ATOM 446 SD MET A 129 14.759 -8.478 -11.181 1.00 0.00 S ATOM 447 CE MET A 129 16.293 -7.767 -11.774 1.00 0.00 C ATOM 0 H MET A 129 13.642 -5.718 -6.499 1.00 0.00 H new ATOM 0 HA MET A 129 14.983 -8.322 -6.857 1.00 0.00 H new ATOM 0 HB2 MET A 129 13.512 -7.165 -8.864 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.068 -6.405 -9.130 1.00 0.00 H new ATOM 0 HG2 MET A 129 16.139 -8.646 -9.231 1.00 0.00 H new ATOM 0 HG3 MET A 129 14.578 -9.401 -8.979 1.00 0.00 H new ATOM 0 HE1 MET A 129 16.087 -7.109 -12.618 1.00 0.00 H new ATOM 0 HE2 MET A 129 16.762 -7.194 -10.974 1.00 0.00 H new ATOM 0 HE3 MET A 129 16.965 -8.564 -12.091 1.00 0.00 H new ATOM 457 N THR A 130 17.261 -7.185 -6.976 1.00 0.00 N ATOM 458 CA THR A 130 18.547 -6.555 -6.703 1.00 0.00 C ATOM 459 C THR A 130 19.631 -7.097 -7.628 1.00 0.00 C ATOM 460 O THR A 130 19.828 -8.308 -7.730 1.00 0.00 O ATOM 461 CB THR A 130 18.979 -6.773 -5.241 1.00 0.00 C ATOM 462 OG1 THR A 130 17.989 -6.243 -4.353 1.00 0.00 O ATOM 463 CG2 THR A 130 20.320 -6.107 -4.969 1.00 0.00 C ATOM 0 H THR A 130 17.321 -8.166 -7.247 1.00 0.00 H new ATOM 0 HA THR A 130 18.421 -5.487 -6.882 1.00 0.00 H new ATOM 0 HB THR A 130 19.082 -7.845 -5.071 1.00 0.00 H new ATOM 0 HG1 THR A 130 18.188 -6.525 -3.436 1.00 0.00 H new ATOM 0 HG21 THR A 130 20.605 -6.274 -3.930 1.00 0.00 H new ATOM 0 HG22 THR A 130 21.078 -6.533 -5.626 1.00 0.00 H new ATOM 0 HG23 THR A 130 20.239 -5.036 -5.155 1.00 0.00 H new ATOM 471 N THR A 131 20.335 -6.191 -8.301 1.00 0.00 N ATOM 472 CA THR A 131 21.399 -6.578 -9.218 1.00 0.00 C ATOM 473 C THR A 131 22.772 -6.315 -8.609 1.00 0.00 C ATOM 474 O THR A 131 23.163 -5.164 -8.409 1.00 0.00 O ATOM 475 CB THR A 131 21.290 -5.823 -10.556 1.00 0.00 C ATOM 476 OG1 THR A 131 19.933 -5.828 -11.013 1.00 0.00 O ATOM 477 CG2 THR A 131 22.187 -6.456 -11.610 1.00 0.00 C ATOM 0 H THR A 131 20.187 -5.185 -8.228 1.00 0.00 H new ATOM 0 HA THR A 131 21.285 -7.646 -9.402 1.00 0.00 H new ATOM 0 HB THR A 131 21.615 -4.795 -10.394 1.00 0.00 H new ATOM 0 HG1 THR A 131 19.432 -5.120 -10.557 1.00 0.00 H new ATOM 0 HG21 THR A 131 22.093 -5.906 -12.546 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.223 -6.424 -11.273 1.00 0.00 H new ATOM 0 HG23 THR A 131 21.888 -7.492 -11.767 1.00 0.00 H new ATOM 733 N THR A 148 22.003 -2.271 -9.353 1.00 0.00 N ATOM 734 CA THR A 148 20.707 -1.686 -9.672 1.00 0.00 C ATOM 735 C THR A 148 19.578 -2.441 -8.979 1.00 0.00 C ATOM 736 O THR A 148 19.329 -3.611 -9.272 1.00 0.00 O ATOM 737 CB THR A 148 20.450 -1.682 -11.191 1.00 0.00 C ATOM 738 OG1 THR A 148 20.928 -2.901 -11.771 1.00 0.00 O ATOM 739 CG2 THR A 148 21.135 -0.496 -11.852 1.00 0.00 C ATOM 0 HA THR A 148 20.728 -0.657 -9.312 1.00 0.00 H new ATOM 0 HB THR A 148 19.376 -1.598 -11.356 1.00 0.00 H new ATOM 0 HG1 THR A 148 20.760 -2.892 -12.736 1.00 0.00 H new ATOM 0 HG21 THR A 148 20.940 -0.514 -12.924 1.00 0.00 H new ATOM 0 HG22 THR A 148 20.748 0.430 -11.428 1.00 0.00 H new ATOM 0 HG23 THR A 148 22.210 -0.553 -11.678 1.00 0.00 H new ATOM 747 N ARG A 149 18.897 -1.764 -8.060 1.00 0.00 N ATOM 748 CA ARG A 149 17.794 -2.372 -7.325 1.00 0.00 C ATOM 749 C ARG A 149 16.452 -1.859 -7.837 1.00 0.00 C ATOM 750 O ARG A 149 16.202 -0.654 -7.855 1.00 0.00 O ATOM 751 CB ARG A 149 17.927 -2.079 -5.829 1.00 0.00 C ATOM 752 CG ARG A 149 17.349 -3.169 -4.941 1.00 0.00 C ATOM 753 CD ARG A 149 17.484 -2.817 -3.468 1.00 0.00 C ATOM 754 NE ARG A 149 18.077 -3.906 -2.697 1.00 0.00 N ATOM 755 CZ ARG A 149 19.385 -4.127 -2.623 1.00 0.00 C ATOM 756 NH1 ARG A 149 20.232 -3.337 -3.269 1.00 0.00 N ATOM 757 NH2 ARG A 149 19.848 -5.139 -1.900 1.00 0.00 N ATOM 0 H ARG A 149 19.089 -0.795 -7.807 1.00 0.00 H new ATOM 0 HA ARG A 149 17.836 -3.450 -7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.981 -1.945 -5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.426 -1.137 -5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.297 -3.319 -5.185 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.860 -4.111 -5.140 1.00 0.00 H new ATOM 0 HD2 ARG A 149 18.098 -1.923 -3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 149 16.502 -2.578 -3.061 1.00 0.00 H new ATOM 0 HE ARG A 149 17.453 -4.531 -2.187 1.00 0.00 H new ATOM 0 HH11 ARG A 149 19.880 -2.557 -3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 149 21.236 -3.509 -3.210 1.00 0.00 H new ATOM 0 HH21 ARG A 149 19.200 -5.748 -1.401 1.00 0.00 H new ATOM 0 HH22 ARG A 149 20.852 -5.308 -1.844 1.00 0.00 H new ATOM 771 N SER A 150 15.591 -2.783 -8.254 1.00 0.00 N ATOM 772 CA SER A 150 14.276 -2.424 -8.771 1.00 0.00 C ATOM 773 C SER A 150 13.237 -3.475 -8.390 1.00 0.00 C ATOM 774 O SER A 150 13.574 -4.629 -8.122 1.00 0.00 O ATOM 775 CB SER A 150 14.327 -2.270 -10.292 1.00 0.00 C ATOM 776 OG SER A 150 15.426 -1.467 -10.687 1.00 0.00 O ATOM 0 H SER A 150 15.781 -3.785 -8.244 1.00 0.00 H new ATOM 0 HA SER A 150 13.986 -1.472 -8.326 1.00 0.00 H new ATOM 0 HB2 SER A 150 14.405 -3.252 -10.758 1.00 0.00 H new ATOM 0 HB3 SER A 150 13.399 -1.822 -10.647 1.00 0.00 H new ATOM 0 HG SER A 150 15.437 -1.385 -11.664 1.00 0.00 H new ATOM 782 N CYS A 151 11.973 -3.067 -8.367 1.00 0.00 N ATOM 783 CA CYS A 151 10.883 -3.970 -8.018 1.00 0.00 C ATOM 784 C CYS A 151 10.677 -5.020 -9.106 1.00 0.00 C ATOM 785 O CYS A 151 11.192 -4.887 -10.216 1.00 0.00 O ATOM 786 CB CYS A 151 9.589 -3.183 -7.801 1.00 0.00 C ATOM 787 SG CYS A 151 9.790 -1.689 -6.779 1.00 0.00 S ATOM 0 H CYS A 151 11.678 -2.116 -8.586 1.00 0.00 H new ATOM 0 HA CYS A 151 11.149 -4.479 -7.092 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.185 -2.895 -8.771 1.00 0.00 H new ATOM 0 HB3 CYS A 151 8.854 -3.836 -7.330 1.00 0.00 H new ATOM 792 N SER A 152 9.920 -6.062 -8.780 1.00 0.00 N ATOM 793 CA SER A 152 9.648 -7.136 -9.728 1.00 0.00 C ATOM 794 C SER A 152 8.288 -7.771 -9.454 1.00 0.00 C ATOM 795 O SER A 152 7.825 -7.805 -8.314 1.00 0.00 O ATOM 796 CB SER A 152 10.745 -8.200 -9.654 1.00 0.00 C ATOM 797 OG SER A 152 10.482 -9.267 -10.549 1.00 0.00 O ATOM 0 H SER A 152 9.484 -6.186 -7.866 1.00 0.00 H new ATOM 0 HA SER A 152 9.634 -6.708 -10.730 1.00 0.00 H new ATOM 0 HB2 SER A 152 11.709 -7.750 -9.893 1.00 0.00 H new ATOM 0 HB3 SER A 152 10.816 -8.584 -8.636 1.00 0.00 H new ATOM 0 HG SER A 152 11.198 -9.933 -10.484 1.00 0.00 H new ATOM 803 N SER A 153 7.654 -8.273 -10.509 1.00 0.00 N ATOM 804 CA SER A 153 6.345 -8.904 -10.384 1.00 0.00 C ATOM 805 C SER A 153 6.477 -10.422 -10.322 1.00 0.00 C ATOM 806 O SER A 153 5.497 -11.149 -10.486 1.00 0.00 O ATOM 807 CB SER A 153 5.450 -8.506 -11.560 1.00 0.00 C ATOM 808 OG SER A 153 6.188 -8.457 -12.769 1.00 0.00 O ATOM 0 H SER A 153 8.025 -8.255 -11.459 1.00 0.00 H new ATOM 0 HA SER A 153 5.889 -8.559 -9.456 1.00 0.00 H new ATOM 0 HB2 SER A 153 4.633 -9.221 -11.658 1.00 0.00 H new ATOM 0 HB3 SER A 153 5.000 -7.533 -11.365 1.00 0.00 H new ATOM 0 HG SER A 153 5.593 -8.202 -13.505 1.00 0.00 H new ATOM 814 N SER A 154 7.696 -10.894 -10.084 1.00 0.00 N ATOM 815 CA SER A 154 7.960 -12.326 -10.003 1.00 0.00 C ATOM 816 C SER A 154 9.405 -12.591 -9.594 1.00 0.00 C ATOM 817 O SER A 154 10.315 -12.550 -10.423 1.00 0.00 O ATOM 818 CB SER A 154 7.667 -12.996 -11.347 1.00 0.00 C ATOM 819 OG SER A 154 8.130 -12.201 -12.425 1.00 0.00 O ATOM 0 H SER A 154 8.517 -10.305 -9.944 1.00 0.00 H new ATOM 0 HA SER A 154 7.303 -12.749 -9.243 1.00 0.00 H new ATOM 0 HB2 SER A 154 8.146 -13.975 -11.381 1.00 0.00 H new ATOM 0 HB3 SER A 154 6.594 -13.162 -11.448 1.00 0.00 H new ATOM 0 HG SER A 154 9.063 -11.946 -12.266 1.00 0.00 H new ATOM 825 N CYS A 155 9.610 -12.862 -8.309 1.00 0.00 N ATOM 826 CA CYS A 155 10.944 -13.133 -7.787 1.00 0.00 C ATOM 827 C CYS A 155 11.489 -14.446 -8.343 1.00 0.00 C ATOM 828 O CYS A 155 11.123 -15.527 -7.882 1.00 0.00 O ATOM 829 CB CYS A 155 10.915 -13.187 -6.259 1.00 0.00 C ATOM 830 SG CYS A 155 12.361 -14.009 -5.516 1.00 0.00 S ATOM 0 H CYS A 155 8.868 -12.900 -7.610 1.00 0.00 H new ATOM 0 HA CYS A 155 11.602 -12.324 -8.103 1.00 0.00 H new ATOM 0 HB2 CYS A 155 10.850 -12.170 -5.871 1.00 0.00 H new ATOM 0 HB3 CYS A 155 10.012 -13.708 -5.942 1.00 0.00 H new ATOM 835 N VAL A 156 12.366 -14.342 -9.336 1.00 0.00 N ATOM 836 CA VAL A 156 12.964 -15.520 -9.954 1.00 0.00 C ATOM 837 C VAL A 156 14.377 -15.227 -10.444 1.00 0.00 C ATOM 838 O VAL A 156 14.702 -14.091 -10.791 1.00 0.00 O ATOM 839 CB VAL A 156 12.117 -16.023 -11.139 1.00 0.00 C ATOM 840 CG1 VAL A 156 12.653 -17.350 -11.653 1.00 0.00 C ATOM 841 CG2 VAL A 156 10.656 -16.151 -10.732 1.00 0.00 C ATOM 0 H VAL A 156 12.678 -13.454 -9.730 1.00 0.00 H new ATOM 0 HA VAL A 156 13.001 -16.294 -9.188 1.00 0.00 H new ATOM 0 HB VAL A 156 12.184 -15.294 -11.947 1.00 0.00 H new ATOM 0 HG11 VAL A 156 12.042 -17.690 -12.490 1.00 0.00 H new ATOM 0 HG12 VAL A 156 13.684 -17.222 -11.984 1.00 0.00 H new ATOM 0 HG13 VAL A 156 12.618 -18.091 -10.854 1.00 0.00 H new ATOM 0 HG21 VAL A 156 10.072 -16.507 -11.580 1.00 0.00 H new ATOM 0 HG22 VAL A 156 10.569 -16.859 -9.908 1.00 0.00 H new ATOM 0 HG23 VAL A 156 10.280 -15.178 -10.416 1.00 0.00 H new ATOM 987 N LEU A 168 24.252 -11.781 -9.689 1.00 0.00 N ATOM 988 CA LEU A 168 23.651 -11.872 -8.363 1.00 0.00 C ATOM 989 C LEU A 168 22.271 -11.222 -8.344 1.00 0.00 C ATOM 990 O LEU A 168 22.099 -10.123 -7.815 1.00 0.00 O ATOM 991 CB LEU A 168 24.555 -11.206 -7.325 1.00 0.00 C ATOM 992 CG LEU A 168 25.701 -12.062 -6.784 1.00 0.00 C ATOM 993 CD1 LEU A 168 25.171 -13.121 -5.830 1.00 0.00 C ATOM 994 CD2 LEU A 168 26.469 -12.709 -7.928 1.00 0.00 C ATOM 0 HA LEU A 168 23.538 -12.927 -8.114 1.00 0.00 H new ATOM 0 HB2 LEU A 168 24.979 -10.304 -7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 168 23.937 -10.889 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 168 26.384 -11.415 -6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 168 26.000 -13.721 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 168 24.666 -12.637 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 168 24.467 -13.765 -6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 168 27.281 -13.314 -7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 168 25.796 -13.343 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 168 26.881 -11.934 -8.574 1.00 0.00 H new ATOM 1006 N ILE A 169 21.292 -11.908 -8.923 1.00 0.00 N ATOM 1007 CA ILE A 169 19.927 -11.398 -8.970 1.00 0.00 C ATOM 1008 C ILE A 169 19.126 -11.861 -7.757 1.00 0.00 C ATOM 1009 O ILE A 169 18.542 -12.945 -7.763 1.00 0.00 O ATOM 1010 CB ILE A 169 19.201 -11.847 -10.252 1.00 0.00 C ATOM 1011 CG1 ILE A 169 19.930 -11.317 -11.488 1.00 0.00 C ATOM 1012 CG2 ILE A 169 17.756 -11.372 -10.237 1.00 0.00 C ATOM 1013 CD1 ILE A 169 20.064 -9.810 -11.511 1.00 0.00 C ATOM 0 H ILE A 169 21.418 -12.818 -9.366 1.00 0.00 H new ATOM 0 HA ILE A 169 19.996 -10.310 -8.964 1.00 0.00 H new ATOM 0 HB ILE A 169 19.203 -12.936 -10.291 1.00 0.00 H new ATOM 0 HG12 ILE A 169 20.924 -11.763 -11.533 1.00 0.00 H new ATOM 0 HG13 ILE A 169 19.395 -11.640 -12.381 1.00 0.00 H new ATOM 0 HG21 ILE A 169 17.257 -11.697 -11.150 1.00 0.00 H new ATOM 0 HG22 ILE A 169 17.243 -11.794 -9.373 1.00 0.00 H new ATOM 0 HG23 ILE A 169 17.731 -10.284 -10.178 1.00 0.00 H new ATOM 0 HD11 ILE A 169 20.591 -9.505 -12.415 1.00 0.00 H new ATOM 0 HD12 ILE A 169 19.073 -9.356 -11.498 1.00 0.00 H new ATOM 0 HD13 ILE A 169 20.625 -9.481 -10.636 1.00 0.00 H new ATOM 1025 N PHE A 170 19.101 -11.031 -6.720 1.00 0.00 N ATOM 1026 CA PHE A 170 18.370 -11.354 -5.500 1.00 0.00 C ATOM 1027 C PHE A 170 16.974 -10.739 -5.523 1.00 0.00 C ATOM 1028 O PHE A 170 16.746 -9.713 -6.165 1.00 0.00 O ATOM 1029 CB PHE A 170 19.139 -10.857 -4.273 1.00 0.00 C ATOM 1030 CG PHE A 170 20.079 -11.878 -3.701 1.00 0.00 C ATOM 1031 CD1 PHE A 170 21.328 -12.082 -4.264 1.00 0.00 C ATOM 1032 CD2 PHE A 170 19.714 -12.635 -2.599 1.00 0.00 C ATOM 1033 CE1 PHE A 170 22.196 -13.021 -3.740 1.00 0.00 C ATOM 1034 CE2 PHE A 170 20.578 -13.575 -2.070 1.00 0.00 C ATOM 1035 CZ PHE A 170 21.820 -13.769 -2.641 1.00 0.00 C ATOM 0 H PHE A 170 19.578 -10.130 -6.700 1.00 0.00 H new ATOM 0 HA PHE A 170 18.269 -12.438 -5.443 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.705 -9.966 -4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 170 18.427 -10.559 -3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 170 21.627 -11.500 -5.123 1.00 0.00 H new ATOM 0 HD2 PHE A 170 18.743 -12.489 -2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 170 23.167 -13.170 -4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 170 20.282 -14.158 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 170 22.496 -14.504 -2.229 1.00 0.00 H new ATOM 1045 N CYS A 171 16.043 -11.374 -4.819 1.00 0.00 N ATOM 1046 CA CYS A 171 14.668 -10.892 -4.758 1.00 0.00 C ATOM 1047 C CYS A 171 14.016 -11.275 -3.433 1.00 0.00 C ATOM 1048 O CYS A 171 14.446 -12.216 -2.766 1.00 0.00 O ATOM 1049 CB CYS A 171 13.855 -11.459 -5.923 1.00 0.00 C ATOM 1050 SG CYS A 171 14.045 -13.255 -6.158 1.00 0.00 S ATOM 0 H CYS A 171 16.216 -12.224 -4.282 1.00 0.00 H new ATOM 0 HA CYS A 171 14.686 -9.805 -4.832 1.00 0.00 H new ATOM 0 HB2 CYS A 171 12.801 -11.234 -5.760 1.00 0.00 H new ATOM 0 HB3 CYS A 171 14.151 -10.950 -6.840 1.00 0.00 H new ATOM 1055 N CYS A 172 12.974 -10.540 -3.058 1.00 0.00 N ATOM 1056 CA CYS A 172 12.261 -10.801 -1.814 1.00 0.00 C ATOM 1057 C CYS A 172 10.810 -10.340 -1.911 1.00 0.00 C ATOM 1058 O CYS A 172 10.414 -9.702 -2.887 1.00 0.00 O ATOM 1059 CB CYS A 172 12.954 -10.097 -0.646 1.00 0.00 C ATOM 1060 SG CYS A 172 13.442 -8.377 -1.000 1.00 0.00 S ATOM 0 H CYS A 172 12.605 -9.758 -3.599 1.00 0.00 H new ATOM 0 HA CYS A 172 12.271 -11.877 -1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 172 12.287 -10.104 0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 172 13.841 -10.665 -0.368 1.00 0.00 H new ATOM 1065 N PHE A 173 10.021 -10.667 -0.893 1.00 0.00 N ATOM 1066 CA PHE A 173 8.613 -10.287 -0.864 1.00 0.00 C ATOM 1067 C PHE A 173 8.292 -9.488 0.396 1.00 0.00 C ATOM 1068 O PHE A 173 7.191 -9.583 0.940 1.00 0.00 O ATOM 1069 CB PHE A 173 7.726 -11.532 -0.932 1.00 0.00 C ATOM 1070 CG PHE A 173 8.234 -12.579 -1.881 1.00 0.00 C ATOM 1071 CD1 PHE A 173 9.157 -13.524 -1.461 1.00 0.00 C ATOM 1072 CD2 PHE A 173 7.789 -12.620 -3.193 1.00 0.00 C ATOM 1073 CE1 PHE A 173 9.627 -14.488 -2.333 1.00 0.00 C ATOM 1074 CE2 PHE A 173 8.255 -13.582 -4.069 1.00 0.00 C ATOM 1075 CZ PHE A 173 9.175 -14.518 -3.638 1.00 0.00 C ATOM 0 H PHE A 173 10.332 -11.194 -0.077 1.00 0.00 H new ATOM 0 HA PHE A 173 8.413 -9.659 -1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 173 7.645 -11.965 0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.721 -11.236 -1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 173 9.513 -13.507 -0.441 1.00 0.00 H new ATOM 0 HD2 PHE A 173 7.069 -11.891 -3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 173 10.348 -15.218 -1.994 1.00 0.00 H new ATOM 0 HE2 PHE A 173 7.900 -13.602 -5.089 1.00 0.00 H new ATOM 0 HZ PHE A 173 9.540 -15.272 -4.320 1.00 0.00 H new ATOM 1085 N ARG A 174 9.261 -8.702 0.854 1.00 0.00 N ATOM 1086 CA ARG A 174 9.082 -7.888 2.050 1.00 0.00 C ATOM 1087 C ARG A 174 9.636 -6.482 1.838 1.00 0.00 C ATOM 1088 O ARG A 174 10.706 -6.307 1.256 1.00 0.00 O ATOM 1089 CB ARG A 174 9.773 -8.544 3.247 1.00 0.00 C ATOM 1090 CG ARG A 174 9.063 -9.790 3.752 1.00 0.00 C ATOM 1091 CD ARG A 174 10.053 -10.880 4.132 1.00 0.00 C ATOM 1092 NE ARG A 174 10.320 -11.788 3.019 1.00 0.00 N ATOM 1093 CZ ARG A 174 11.187 -12.792 3.083 1.00 0.00 C ATOM 1094 NH1 ARG A 174 11.867 -13.016 4.198 1.00 0.00 N ATOM 1095 NH2 ARG A 174 11.375 -13.576 2.028 1.00 0.00 N ATOM 0 H ARG A 174 10.177 -8.612 0.415 1.00 0.00 H new ATOM 0 HA ARG A 174 8.013 -7.813 2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 174 10.794 -8.806 2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 174 9.840 -7.820 4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 174 8.450 -9.536 4.617 1.00 0.00 H new ATOM 0 HG3 ARG A 174 8.388 -10.163 2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 174 10.987 -10.423 4.460 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.662 -11.447 4.977 1.00 0.00 H new ATOM 0 HE ARG A 174 9.813 -11.643 2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 174 11.725 -12.416 5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 174 12.532 -13.788 4.243 1.00 0.00 H new ATOM 0 HH21 ARG A 174 10.853 -13.407 1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 174 12.041 -14.347 2.078 1.00 0.00 H new ATOM 1109 N ASP A 175 8.899 -5.484 2.313 1.00 0.00 N ATOM 1110 CA ASP A 175 9.315 -4.093 2.176 1.00 0.00 C ATOM 1111 C ASP A 175 10.668 -3.863 2.842 1.00 0.00 C ATOM 1112 O ASP A 175 10.835 -4.113 4.037 1.00 0.00 O ATOM 1113 CB ASP A 175 8.267 -3.162 2.787 1.00 0.00 C ATOM 1114 CG ASP A 175 6.851 -3.579 2.442 1.00 0.00 C ATOM 1115 OD1 ASP A 175 6.393 -4.615 2.968 1.00 0.00 O ATOM 1116 OD2 ASP A 175 6.201 -2.869 1.646 1.00 0.00 O ATOM 0 H ASP A 175 8.010 -5.612 2.797 1.00 0.00 H new ATOM 0 HA ASP A 175 9.411 -3.871 1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 175 8.385 -3.148 3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 175 8.439 -2.145 2.435 1.00 0.00 H new ATOM 1121 N LEU A 176 11.632 -3.387 2.063 1.00 0.00 N ATOM 1122 CA LEU A 176 12.972 -3.124 2.576 1.00 0.00 C ATOM 1123 C LEU A 176 13.591 -4.391 3.158 1.00 0.00 C ATOM 1124 O LEU A 176 14.290 -4.345 4.170 1.00 0.00 O ATOM 1125 CB LEU A 176 12.925 -2.029 3.644 1.00 0.00 C ATOM 1126 CG LEU A 176 12.029 -0.829 3.336 1.00 0.00 C ATOM 1127 CD1 LEU A 176 12.189 0.244 4.401 1.00 0.00 C ATOM 1128 CD2 LEU A 176 12.345 -0.268 1.958 1.00 0.00 C ATOM 0 H LEU A 176 11.511 -3.175 1.073 1.00 0.00 H new ATOM 0 HA LEU A 176 13.592 -2.787 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 176 12.590 -2.476 4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 176 13.940 -1.667 3.809 1.00 0.00 H new ATOM 0 HG LEU A 176 10.992 -1.163 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 176 11.544 1.090 4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 176 11.912 -0.164 5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 176 13.227 0.576 4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 176 11.698 0.585 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 176 13.387 0.051 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 176 12.177 -1.038 1.205 1.00 0.00 H new ATOM 1140 N CYS A 177 13.331 -5.521 2.509 1.00 0.00 N ATOM 1141 CA CYS A 177 13.863 -6.802 2.960 1.00 0.00 C ATOM 1142 C CYS A 177 15.380 -6.737 3.111 1.00 0.00 C ATOM 1143 O CYS A 177 15.979 -7.551 3.812 1.00 0.00 O ATOM 1144 CB CYS A 177 13.484 -7.910 1.976 1.00 0.00 C ATOM 1145 SG CYS A 177 14.669 -8.129 0.610 1.00 0.00 S ATOM 0 H CYS A 177 12.755 -5.576 1.669 1.00 0.00 H new ATOM 0 HA CYS A 177 13.428 -7.026 3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 177 13.396 -8.850 2.520 1.00 0.00 H new ATOM 0 HB3 CYS A 177 12.501 -7.690 1.559 1.00 0.00 H new ATOM 1150 N ASN A 178 15.995 -5.764 2.447 1.00 0.00 N ATOM 1151 CA ASN A 178 17.442 -5.593 2.507 1.00 0.00 C ATOM 1152 C ASN A 178 17.809 -4.122 2.674 1.00 0.00 C ATOM 1153 O ASN A 178 16.937 -3.266 2.822 1.00 0.00 O ATOM 1154 CB ASN A 178 18.095 -6.152 1.241 1.00 0.00 C ATOM 1155 CG ASN A 178 17.225 -5.971 0.013 1.00 0.00 C ATOM 1156 OD1 ASN A 178 16.655 -4.781 -0.138 1.00 0.00 O flip ATOM 1157 ND2 ASN A 178 17.067 -6.890 -0.791 1.00 0.00 N flip ATOM 0 H ASN A 178 15.514 -5.082 1.861 1.00 0.00 H new ATOM 0 HA ASN A 178 17.812 -6.142 3.372 1.00 0.00 H new ATOM 0 HB2 ASN A 178 19.053 -5.657 1.081 1.00 0.00 H new ATOM 0 HB3 ASN A 178 18.304 -7.212 1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 178 17.524 -7.788 -0.635 1.00 0.00 H new ATOM 0 HD22 ASN A 178 16.479 -6.753 -1.613 1.00 0.00 H new