USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ILE N :NH3+ -171:sc= -0.628 (180deg=-0.833) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 10 THR OG1 : rot -101:sc= 1.01 USER MOD Single : A 11 SER OG : rot 180:sc= -2.82 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc=-0.00362 K(o=-0.0036,f=-1.7) USER MOD Single : A 18 HIS : no HD1:sc= -6.3! C(o=-6.3!,f=-5.8!) USER MOD Single : A 21 TYR OH : rot -175:sc= -2.46! USER MOD Single : A 22 THR OG1 : rot -100:sc= -1.47! USER MOD Single : A 23 LYS NZ :NH3+ 149:sc= 0.446 (180deg=0.101) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0619 USER MOD Single : A 35 LYS NZ :NH3+ 141:sc= 0.981 (180deg=0.182) USER MOD Single : A 44 THR OG1 : rot -94:sc= 0.0285! USER MOD Single : A 47 THR OG1 : rot -44:sc= 0.794 USER MOD Single : A 49 LYS NZ :NH3+ 156:sc= -0.0136 (180deg=-0.208) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.697 USER MOD Single : A 55 GLN : amide:sc= -0.295 K(o=-0.3,f=-2.7!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.672 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 61 ASN : amide:sc= 1.14 K(o=1.1,f=-0.45) USER MOD Single : A 63 ASN : amide:sc= -7.88! C(o=-7.9!,f=-6.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0624 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 181 TYR OH : rot 180:sc= 0 USER MOD Single : B 185 LYS NZ :NH3+ 134:sc= -0.343 (180deg=-1.32!) USER MOD Single : B 186 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : B 189 TYR OH : rot 180:sc= 0 USER MOD Single : B 190 TYR OH : rot 100:sc= -0.0261 USER MOD Single : B 191 THR OG1 : rot -150:sc= -0.459 USER MOD Single : B 196 THR OG1 : rot 180:sc= -1.89 USER MOD Single : B 198 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 6.057 9.798 8.133 1.00 0.00 N ATOM 2 CA ILE A 1 5.649 11.223 8.024 1.00 0.00 C ATOM 3 C ILE A 1 5.139 11.541 6.622 1.00 0.00 C ATOM 4 O ILE A 1 5.764 12.297 5.878 1.00 0.00 O ATOM 5 CB ILE A 1 6.822 12.168 8.357 1.00 0.00 C ATOM 6 CG1 ILE A 1 7.539 11.702 9.625 1.00 0.00 C ATOM 7 CG2 ILE A 1 6.322 13.596 8.517 1.00 0.00 C ATOM 8 CD1 ILE A 1 8.780 10.881 9.350 1.00 0.00 C ATOM 0 H1 ILE A 1 6.255 9.569 9.128 1.00 0.00 H new ATOM 0 H2 ILE A 1 5.290 9.189 7.783 1.00 0.00 H new ATOM 0 H3 ILE A 1 6.913 9.637 7.564 1.00 0.00 H new ATOM 0 HA ILE A 1 4.847 11.381 8.745 1.00 0.00 H new ATOM 0 HB ILE A 1 7.534 12.144 7.532 1.00 0.00 H new ATOM 0 HG12 ILE A 1 7.814 12.574 10.219 1.00 0.00 H new ATOM 0 HG13 ILE A 1 6.848 11.111 10.227 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.161 14.251 8.752 1.00 0.00 H new ATOM 0 HG22 ILE A 1 5.854 13.924 7.589 1.00 0.00 H new ATOM 0 HG23 ILE A 1 5.592 13.637 9.325 1.00 0.00 H new ATOM 0 HD11 ILE A 1 9.237 10.585 10.294 1.00 0.00 H new ATOM 0 HD12 ILE A 1 8.509 9.990 8.783 1.00 0.00 H new ATOM 0 HD13 ILE A 1 9.489 11.476 8.774 1.00 0.00 H new ATOM 22 N ARG A 2 3.998 10.958 6.266 1.00 0.00 N ATOM 23 CA ARG A 2 3.404 11.180 4.953 1.00 0.00 C ATOM 24 C ARG A 2 4.361 10.755 3.843 1.00 0.00 C ATOM 25 O ARG A 2 5.064 11.584 3.265 1.00 0.00 O ATOM 26 CB ARG A 2 3.033 12.655 4.782 1.00 0.00 C ATOM 27 CG ARG A 2 1.624 12.987 5.245 1.00 0.00 C ATOM 28 CD ARG A 2 1.510 14.435 5.695 1.00 0.00 C ATOM 29 NE ARG A 2 2.169 15.353 4.769 1.00 0.00 N ATOM 30 CZ ARG A 2 2.502 16.604 5.076 1.00 0.00 C ATOM 31 NH1 ARG A 2 2.242 17.091 6.283 1.00 0.00 N ATOM 32 NH2 ARG A 2 3.098 17.371 4.174 1.00 0.00 N ATOM 0 H ARG A 2 3.467 10.329 6.868 1.00 0.00 H new ATOM 0 HA ARG A 2 2.502 10.573 4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.743 13.266 5.339 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.134 12.927 3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.920 12.801 4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.345 12.327 6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.458 14.704 5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.951 14.542 6.686 1.00 0.00 H new ATOM 0 HE ARG A 2 2.387 15.015 3.832 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.784 16.505 6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.500 18.051 6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.301 17.002 3.245 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.353 18.330 4.409 1.00 0.00 H new ATOM 46 N CYS A 3 4.384 9.458 3.551 1.00 0.00 N ATOM 47 CA CYS A 3 5.258 8.928 2.510 1.00 0.00 C ATOM 48 C CYS A 3 4.691 9.216 1.123 1.00 0.00 C ATOM 49 O CYS A 3 5.189 10.088 0.411 1.00 0.00 O ATOM 50 CB CYS A 3 5.464 7.424 2.699 1.00 0.00 C ATOM 51 SG CYS A 3 7.204 6.897 2.580 1.00 0.00 S ATOM 0 H CYS A 3 3.810 8.757 4.019 1.00 0.00 H new ATOM 0 HA CYS A 3 6.224 9.426 2.593 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.072 7.133 3.674 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.881 6.890 1.949 1.00 0.00 H new ATOM 56 N PHE A 4 3.645 8.486 0.742 1.00 0.00 N ATOM 57 CA PHE A 4 3.022 8.684 -0.562 1.00 0.00 C ATOM 58 C PHE A 4 1.632 8.050 -0.623 1.00 0.00 C ATOM 59 O PHE A 4 1.037 7.730 0.406 1.00 0.00 O ATOM 60 CB PHE A 4 3.917 8.130 -1.677 1.00 0.00 C ATOM 61 CG PHE A 4 3.923 6.631 -1.782 1.00 0.00 C ATOM 62 CD1 PHE A 4 4.482 5.858 -0.782 1.00 0.00 C ATOM 63 CD2 PHE A 4 3.374 5.998 -2.886 1.00 0.00 C ATOM 64 CE1 PHE A 4 4.493 4.480 -0.874 1.00 0.00 C ATOM 65 CE2 PHE A 4 3.381 4.619 -2.986 1.00 0.00 C ATOM 66 CZ PHE A 4 3.941 3.859 -1.978 1.00 0.00 C ATOM 0 H PHE A 4 3.215 7.758 1.313 1.00 0.00 H new ATOM 0 HA PHE A 4 2.902 9.757 -0.711 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.590 8.547 -2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.938 8.474 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.916 6.338 0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 4 2.936 6.589 -3.677 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.932 3.889 -0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.949 4.137 -3.851 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.947 2.782 -2.052 1.00 0.00 H new ATOM 76 N ILE A 5 1.122 7.888 -1.840 1.00 0.00 N ATOM 77 CA ILE A 5 -0.200 7.310 -2.055 1.00 0.00 C ATOM 78 C ILE A 5 -0.165 5.786 -1.969 1.00 0.00 C ATOM 79 O ILE A 5 0.902 5.174 -2.000 1.00 0.00 O ATOM 80 CB ILE A 5 -0.773 7.726 -3.428 1.00 0.00 C ATOM 81 CG1 ILE A 5 -0.530 9.217 -3.681 1.00 0.00 C ATOM 82 CG2 ILE A 5 -2.259 7.412 -3.508 1.00 0.00 C ATOM 83 CD1 ILE A 5 0.778 9.507 -4.384 1.00 0.00 C ATOM 0 H ILE A 5 1.608 8.151 -2.697 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.844 7.694 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.258 7.154 -4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.350 9.614 -4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.546 9.746 -2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.642 7.713 -4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.412 6.341 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.789 7.956 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.882 10.582 -4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.606 9.141 -3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.789 9.007 -5.352 1.00 0.00 H new ATOM 95 N THR A 6 -1.345 5.182 -1.863 1.00 0.00 N ATOM 96 CA THR A 6 -1.471 3.732 -1.773 1.00 0.00 C ATOM 97 C THR A 6 -0.847 3.182 -0.487 1.00 0.00 C ATOM 98 O THR A 6 -0.076 2.224 -0.531 1.00 0.00 O ATOM 99 CB THR A 6 -0.825 3.068 -2.990 1.00 0.00 C ATOM 100 OG1 THR A 6 -0.798 3.956 -4.093 1.00 0.00 O ATOM 101 CG2 THR A 6 -1.539 1.809 -3.432 1.00 0.00 C ATOM 0 H THR A 6 -2.235 5.680 -1.837 1.00 0.00 H new ATOM 0 HA THR A 6 -2.535 3.498 -1.752 1.00 0.00 H new ATOM 0 HB THR A 6 0.184 2.804 -2.673 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.379 3.512 -4.860 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.030 1.388 -4.299 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.533 1.083 -2.619 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.569 2.049 -3.696 1.00 0.00 H new ATOM 109 N PRO A 7 -1.177 3.767 0.683 1.00 0.00 N ATOM 110 CA PRO A 7 -0.650 3.310 1.972 1.00 0.00 C ATOM 111 C PRO A 7 -1.332 2.022 2.429 1.00 0.00 C ATOM 112 O PRO A 7 -1.837 1.258 1.606 1.00 0.00 O ATOM 113 CB PRO A 7 -0.979 4.465 2.936 1.00 0.00 C ATOM 114 CG PRO A 7 -1.525 5.564 2.081 1.00 0.00 C ATOM 115 CD PRO A 7 -2.089 4.900 0.863 1.00 0.00 C ATOM 0 HA PRO A 7 0.415 3.082 1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.707 4.154 3.685 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.089 4.792 3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.295 6.125 2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.743 6.274 1.811 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.118 4.575 1.015 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.089 5.565 -0.001 1.00 0.00 H new ATOM 123 N ASP A 8 -1.357 1.786 3.741 1.00 0.00 N ATOM 124 CA ASP A 8 -1.996 0.589 4.287 1.00 0.00 C ATOM 125 C ASP A 8 -3.392 0.417 3.693 1.00 0.00 C ATOM 126 O ASP A 8 -3.789 -0.682 3.307 1.00 0.00 O ATOM 127 CB ASP A 8 -2.083 0.678 5.812 1.00 0.00 C ATOM 128 CG ASP A 8 -2.838 1.907 6.278 1.00 0.00 C ATOM 129 OD1 ASP A 8 -2.847 2.914 5.540 1.00 0.00 O ATOM 130 OD2 ASP A 8 -3.421 1.862 7.382 1.00 0.00 O ATOM 0 H ASP A 8 -0.945 2.403 4.441 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.390 -0.277 4.021 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.575 -0.215 6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.077 0.693 6.230 1.00 0.00 H new ATOM 135 N ILE A 9 -4.116 1.526 3.607 1.00 0.00 N ATOM 136 CA ILE A 9 -5.458 1.537 3.042 1.00 0.00 C ATOM 137 C ILE A 9 -5.549 2.622 1.960 1.00 0.00 C ATOM 138 O ILE A 9 -4.991 2.461 0.875 1.00 0.00 O ATOM 139 CB ILE A 9 -6.526 1.764 4.131 1.00 0.00 C ATOM 140 CG1 ILE A 9 -6.357 0.743 5.257 1.00 0.00 C ATOM 141 CG2 ILE A 9 -7.921 1.670 3.529 1.00 0.00 C ATOM 142 CD1 ILE A 9 -6.696 1.293 6.626 1.00 0.00 C ATOM 0 H ILE A 9 -3.791 2.439 3.926 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.653 0.563 2.594 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.397 2.763 4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.992 -0.119 5.053 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.327 0.387 5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.665 1.832 4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.035 2.429 2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.063 0.682 3.092 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.554 0.515 7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.044 2.137 6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.735 1.623 6.638 1.00 0.00 H new ATOM 154 N THR A 10 -6.230 3.729 2.254 1.00 0.00 N ATOM 155 CA THR A 10 -6.356 4.824 1.301 1.00 0.00 C ATOM 156 C THR A 10 -6.554 6.160 2.021 1.00 0.00 C ATOM 157 O THR A 10 -6.062 7.195 1.571 1.00 0.00 O ATOM 158 CB THR A 10 -7.509 4.563 0.327 1.00 0.00 C ATOM 159 OG1 THR A 10 -8.636 5.359 0.642 1.00 0.00 O ATOM 160 CG2 THR A 10 -7.963 3.115 0.296 1.00 0.00 C ATOM 0 H THR A 10 -6.701 3.888 3.144 1.00 0.00 H new ATOM 0 HA THR A 10 -5.428 4.881 0.731 1.00 0.00 H new ATOM 0 HB THR A 10 -7.108 4.822 -0.653 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.296 4.816 1.122 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.782 3.006 -0.415 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.131 2.479 -0.007 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.303 2.819 1.288 1.00 0.00 H new ATOM 168 N SER A 11 -7.280 6.131 3.139 1.00 0.00 N ATOM 169 CA SER A 11 -7.543 7.340 3.916 1.00 0.00 C ATOM 170 C SER A 11 -6.246 8.066 4.273 1.00 0.00 C ATOM 171 O SER A 11 -5.874 9.043 3.624 1.00 0.00 O ATOM 172 CB SER A 11 -8.319 6.994 5.191 1.00 0.00 C ATOM 173 OG SER A 11 -9.587 7.627 5.204 1.00 0.00 O ATOM 0 H SER A 11 -7.696 5.284 3.526 1.00 0.00 H new ATOM 0 HA SER A 11 -8.145 8.008 3.300 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.448 5.914 5.260 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.746 7.304 6.065 1.00 0.00 H new ATOM 0 HG SER A 11 -10.063 7.389 6.027 1.00 0.00 H new ATOM 179 N LYS A 12 -5.563 7.586 5.310 1.00 0.00 N ATOM 180 CA LYS A 12 -4.314 8.198 5.747 1.00 0.00 C ATOM 181 C LYS A 12 -3.112 7.426 5.217 1.00 0.00 C ATOM 182 O LYS A 12 -3.261 6.486 4.440 1.00 0.00 O ATOM 183 CB LYS A 12 -4.260 8.273 7.274 1.00 0.00 C ATOM 184 CG LYS A 12 -4.063 6.926 7.947 1.00 0.00 C ATOM 185 CD LYS A 12 -4.629 6.925 9.355 1.00 0.00 C ATOM 186 CE LYS A 12 -3.939 7.957 10.234 1.00 0.00 C ATOM 187 NZ LYS A 12 -2.919 7.336 11.123 1.00 0.00 N ATOM 0 H LYS A 12 -5.853 6.778 5.860 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.276 9.210 5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.447 8.938 7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.185 8.720 7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.548 6.148 7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.000 6.685 7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.698 7.133 9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.512 5.934 9.795 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.463 8.709 9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.683 8.473 10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.472 8.072 11.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.377 6.636 11.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.195 6.865 10.544 1.00 0.00 H new ATOM 201 N ASP A 13 -1.921 7.834 5.643 1.00 0.00 N ATOM 202 CA ASP A 13 -0.689 7.186 5.208 1.00 0.00 C ATOM 203 C ASP A 13 -0.410 5.924 6.020 1.00 0.00 C ATOM 204 O ASP A 13 -1.238 5.490 6.820 1.00 0.00 O ATOM 205 CB ASP A 13 0.488 8.157 5.329 1.00 0.00 C ATOM 206 CG ASP A 13 0.762 8.562 6.764 1.00 0.00 C ATOM 207 OD1 ASP A 13 -0.197 8.600 7.563 1.00 0.00 O ATOM 208 OD2 ASP A 13 1.935 8.841 7.089 1.00 0.00 O ATOM 0 H ASP A 13 -1.783 8.611 6.289 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.812 6.897 4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.381 7.694 4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.282 9.048 4.736 1.00 0.00 H new ATOM 213 N CYS A 14 0.767 5.341 5.805 1.00 0.00 N ATOM 214 CA CYS A 14 1.170 4.128 6.509 1.00 0.00 C ATOM 215 C CYS A 14 1.004 4.289 8.021 1.00 0.00 C ATOM 216 O CYS A 14 0.895 5.407 8.525 1.00 0.00 O ATOM 217 CB CYS A 14 2.628 3.789 6.171 1.00 0.00 C ATOM 218 SG CYS A 14 3.862 4.807 7.047 1.00 0.00 S ATOM 0 H CYS A 14 1.461 5.692 5.145 1.00 0.00 H new ATOM 0 HA CYS A 14 0.525 3.312 6.183 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.808 2.740 6.406 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.776 3.905 5.097 1.00 0.00 H new ATOM 223 N PRO A 15 0.991 3.171 8.769 1.00 0.00 N ATOM 224 CA PRO A 15 0.848 3.204 10.225 1.00 0.00 C ATOM 225 C PRO A 15 2.144 3.620 10.914 1.00 0.00 C ATOM 226 O PRO A 15 2.137 4.054 12.066 1.00 0.00 O ATOM 227 CB PRO A 15 0.494 1.759 10.572 1.00 0.00 C ATOM 228 CG PRO A 15 1.141 0.946 9.505 1.00 0.00 C ATOM 229 CD PRO A 15 1.125 1.792 8.258 1.00 0.00 C ATOM 0 HA PRO A 15 0.103 3.928 10.554 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.867 1.486 11.559 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.585 1.608 10.586 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.162 0.682 9.783 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.602 0.012 9.348 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.040 1.667 7.678 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.295 1.525 7.604 1.00 0.00 H new ATOM 237 N ASN A 16 3.254 3.486 10.195 1.00 0.00 N ATOM 238 CA ASN A 16 4.563 3.847 10.722 1.00 0.00 C ATOM 239 C ASN A 16 5.041 5.165 10.110 1.00 0.00 C ATOM 240 O ASN A 16 4.230 5.983 9.676 1.00 0.00 O ATOM 241 CB ASN A 16 5.565 2.726 10.435 1.00 0.00 C ATOM 242 CG ASN A 16 6.484 2.456 11.609 1.00 0.00 C ATOM 243 OD1 ASN A 16 6.959 3.382 12.267 1.00 0.00 O ATOM 244 ND2 ASN A 16 6.741 1.181 11.879 1.00 0.00 N ATOM 0 H ASN A 16 3.271 3.128 9.240 1.00 0.00 H new ATOM 0 HA ASN A 16 4.485 3.982 11.801 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.023 1.814 10.184 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.163 2.992 9.563 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.353 0.938 12.658 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.326 0.445 11.308 1.00 0.00 H new ATOM 251 N GLY A 17 6.357 5.368 10.074 1.00 0.00 N ATOM 252 CA GLY A 17 6.900 6.591 9.508 1.00 0.00 C ATOM 253 C GLY A 17 8.402 6.526 9.315 1.00 0.00 C ATOM 254 O GLY A 17 9.159 6.530 10.286 1.00 0.00 O ATOM 0 H GLY A 17 7.053 4.710 10.425 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.422 6.786 8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.657 7.429 10.162 1.00 0.00 H new ATOM 258 N HIS A 18 8.838 6.467 8.058 1.00 0.00 N ATOM 259 CA HIS A 18 10.263 6.402 7.746 1.00 0.00 C ATOM 260 C HIS A 18 10.492 6.310 6.235 1.00 0.00 C ATOM 261 O HIS A 18 9.616 6.662 5.445 1.00 0.00 O ATOM 262 CB HIS A 18 10.904 5.209 8.461 1.00 0.00 C ATOM 263 CG HIS A 18 11.996 5.602 9.406 1.00 0.00 C ATOM 264 ND1 HIS A 18 13.228 6.058 8.986 1.00 0.00 N ATOM 265 CD2 HIS A 18 12.035 5.615 10.760 1.00 0.00 C ATOM 266 CE1 HIS A 18 13.977 6.333 10.040 1.00 0.00 C ATOM 267 NE2 HIS A 18 13.276 6.073 11.127 1.00 0.00 N ATOM 0 H HIS A 18 8.226 6.463 7.242 1.00 0.00 H new ATOM 0 HA HIS A 18 10.734 7.319 8.100 1.00 0.00 H new ATOM 0 HB2 HIS A 18 10.134 4.668 9.011 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.307 4.522 7.717 1.00 0.00 H new ATOM 0 HD2 HIS A 18 11.238 5.320 11.427 1.00 0.00 H new ATOM 0 HE1 HIS A 18 14.990 6.707 10.015 1.00 0.00 H new ATOM 0 HE2 HIS A 18 13.603 6.193 12.086 1.00 0.00 H new ATOM 276 N VAL A 19 11.678 5.843 5.837 1.00 0.00 N ATOM 277 CA VAL A 19 12.017 5.717 4.419 1.00 0.00 C ATOM 278 C VAL A 19 10.935 4.961 3.657 1.00 0.00 C ATOM 279 O VAL A 19 10.488 3.898 4.089 1.00 0.00 O ATOM 280 CB VAL A 19 13.366 4.991 4.199 1.00 0.00 C ATOM 281 CG1 VAL A 19 13.933 5.334 2.831 1.00 0.00 C ATOM 282 CG2 VAL A 19 14.364 5.344 5.295 1.00 0.00 C ATOM 0 H VAL A 19 12.417 5.547 6.475 1.00 0.00 H new ATOM 0 HA VAL A 19 12.098 6.736 4.040 1.00 0.00 H new ATOM 0 HB VAL A 19 13.185 3.917 4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.882 4.816 2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.231 5.022 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.093 6.410 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.303 4.820 5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.543 6.419 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.962 5.046 6.263 1.00 0.00 H new ATOM 292 N CYS A 20 10.520 5.510 2.518 1.00 0.00 N ATOM 293 CA CYS A 20 9.496 4.875 1.699 1.00 0.00 C ATOM 294 C CYS A 20 9.975 3.513 1.216 1.00 0.00 C ATOM 295 O CYS A 20 10.518 3.376 0.119 1.00 0.00 O ATOM 296 CB CYS A 20 9.128 5.769 0.513 1.00 0.00 C ATOM 297 SG CYS A 20 7.452 6.478 0.608 1.00 0.00 S ATOM 0 H CYS A 20 10.876 6.389 2.144 1.00 0.00 H new ATOM 0 HA CYS A 20 8.604 4.731 2.308 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.851 6.582 0.446 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.214 5.189 -0.406 1.00 0.00 H new ATOM 302 N TYR A 21 9.772 2.513 2.061 1.00 0.00 N ATOM 303 CA TYR A 21 10.176 1.145 1.768 1.00 0.00 C ATOM 304 C TYR A 21 9.312 0.542 0.668 1.00 0.00 C ATOM 305 O TYR A 21 8.385 -0.221 0.937 1.00 0.00 O ATOM 306 CB TYR A 21 10.063 0.303 3.043 1.00 0.00 C ATOM 307 CG TYR A 21 11.247 -0.589 3.317 1.00 0.00 C ATOM 308 CD1 TYR A 21 12.544 -0.154 3.086 1.00 0.00 C ATOM 309 CD2 TYR A 21 11.061 -1.870 3.819 1.00 0.00 C ATOM 310 CE1 TYR A 21 13.624 -0.974 3.347 1.00 0.00 C ATOM 311 CE2 TYR A 21 12.135 -2.693 4.084 1.00 0.00 C ATOM 312 CZ TYR A 21 13.413 -2.241 3.846 1.00 0.00 C ATOM 313 OH TYR A 21 14.484 -3.056 4.113 1.00 0.00 O ATOM 0 H TYR A 21 9.322 2.627 2.970 1.00 0.00 H new ATOM 0 HA TYR A 21 11.208 1.152 1.418 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.925 0.972 3.893 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.168 -0.315 2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.711 0.839 2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 21 10.059 -2.228 4.005 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.629 -0.624 3.161 1.00 0.00 H new ATOM 0 HE2 TYR A 21 11.974 -3.686 4.476 1.00 0.00 H new ATOM 0 HH TYR A 21 14.162 -3.941 4.384 1.00 0.00 H new ATOM 323 N THR A 22 9.630 0.877 -0.572 1.00 0.00 N ATOM 324 CA THR A 22 8.884 0.353 -1.709 1.00 0.00 C ATOM 325 C THR A 22 9.207 -1.116 -1.902 1.00 0.00 C ATOM 326 O THR A 22 9.874 -1.506 -2.859 1.00 0.00 O ATOM 327 CB THR A 22 9.199 1.148 -2.977 1.00 0.00 C ATOM 328 OG1 THR A 22 8.788 2.495 -2.834 1.00 0.00 O ATOM 329 CG2 THR A 22 8.533 0.596 -4.218 1.00 0.00 C ATOM 0 H THR A 22 10.395 1.506 -0.818 1.00 0.00 H new ATOM 0 HA THR A 22 7.818 0.455 -1.507 1.00 0.00 H new ATOM 0 HB THR A 22 10.279 1.071 -3.104 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.929 2.625 -3.288 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.801 1.209 -5.078 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.866 -0.428 -4.385 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.451 0.609 -4.086 1.00 0.00 H new ATOM 337 N LYS A 23 8.734 -1.919 -0.964 1.00 0.00 N ATOM 338 CA LYS A 23 8.969 -3.356 -0.986 1.00 0.00 C ATOM 339 C LYS A 23 8.142 -4.048 -2.059 1.00 0.00 C ATOM 340 O LYS A 23 6.982 -3.707 -2.286 1.00 0.00 O ATOM 341 CB LYS A 23 8.661 -3.962 0.384 1.00 0.00 C ATOM 342 CG LYS A 23 9.205 -5.370 0.562 1.00 0.00 C ATOM 343 CD LYS A 23 9.692 -5.600 1.982 1.00 0.00 C ATOM 344 CE LYS A 23 8.643 -6.311 2.822 1.00 0.00 C ATOM 345 NZ LYS A 23 7.775 -5.350 3.555 1.00 0.00 N ATOM 0 H LYS A 23 8.180 -1.598 -0.170 1.00 0.00 H new ATOM 0 HA LYS A 23 10.021 -3.513 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.079 -3.319 1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.581 -3.977 0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.428 -6.095 0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.025 -5.536 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.607 -6.192 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.941 -4.644 2.442 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.027 -6.939 2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.136 -6.972 3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.825 -5.758 3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.184 -5.157 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.708 -4.462 3.017 1.00 0.00 H new ATOM 359 N THR A 24 8.751 -5.032 -2.710 1.00 0.00 N ATOM 360 CA THR A 24 8.078 -5.792 -3.751 1.00 0.00 C ATOM 361 C THR A 24 8.332 -7.278 -3.565 1.00 0.00 C ATOM 362 O THR A 24 9.041 -7.913 -4.347 1.00 0.00 O ATOM 363 CB THR A 24 8.538 -5.337 -5.138 1.00 0.00 C ATOM 364 OG1 THR A 24 8.280 -3.956 -5.323 1.00 0.00 O ATOM 365 CG2 THR A 24 7.864 -6.084 -6.268 1.00 0.00 C ATOM 0 H THR A 24 9.713 -5.321 -2.533 1.00 0.00 H new ATOM 0 HA THR A 24 7.006 -5.610 -3.673 1.00 0.00 H new ATOM 0 HB THR A 24 9.607 -5.548 -5.171 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.582 -3.683 -6.214 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.236 -5.712 -7.223 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.084 -7.148 -6.183 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.786 -5.931 -6.214 1.00 0.00 H new ATOM 373 N TRP A 25 7.732 -7.816 -2.517 1.00 0.00 N ATOM 374 CA TRP A 25 7.854 -9.229 -2.186 1.00 0.00 C ATOM 375 C TRP A 25 6.475 -9.866 -2.129 1.00 0.00 C ATOM 376 O TRP A 25 5.991 -10.455 -3.096 1.00 0.00 O ATOM 377 CB TRP A 25 8.575 -9.403 -0.842 1.00 0.00 C ATOM 378 CG TRP A 25 8.425 -10.770 -0.233 1.00 0.00 C ATOM 379 CD1 TRP A 25 8.510 -11.086 1.093 1.00 0.00 C ATOM 380 CD2 TRP A 25 8.178 -12.006 -0.922 1.00 0.00 C ATOM 381 NE1 TRP A 25 8.323 -12.434 1.272 1.00 0.00 N ATOM 382 CE2 TRP A 25 8.119 -13.021 0.052 1.00 0.00 C ATOM 383 CE3 TRP A 25 7.997 -12.353 -2.265 1.00 0.00 C ATOM 384 CZ2 TRP A 25 7.888 -14.355 -0.275 1.00 0.00 C ATOM 385 CZ3 TRP A 25 7.768 -13.678 -2.587 1.00 0.00 C ATOM 386 CH2 TRP A 25 7.715 -14.664 -1.596 1.00 0.00 C ATOM 0 H TRP A 25 7.146 -7.287 -1.871 1.00 0.00 H new ATOM 0 HA TRP A 25 8.442 -9.723 -2.960 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.636 -9.195 -0.982 1.00 0.00 H new ATOM 0 HB3 TRP A 25 8.194 -8.661 -0.140 1.00 0.00 H new ATOM 0 HD1 TRP A 25 8.697 -10.377 1.886 1.00 0.00 H new ATOM 0 HE1 TRP A 25 8.334 -12.920 2.169 1.00 0.00 H new ATOM 0 HE3 TRP A 25 8.035 -11.599 -3.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.847 -15.119 0.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 7.628 -13.956 -3.621 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.534 -15.690 -1.880 1.00 0.00 H new ATOM 397 N CYS A 26 5.866 -9.719 -0.974 1.00 0.00 N ATOM 398 CA CYS A 26 4.533 -10.238 -0.686 1.00 0.00 C ATOM 399 C CYS A 26 4.291 -10.246 0.822 1.00 0.00 C ATOM 400 O CYS A 26 3.150 -10.229 1.274 1.00 0.00 O ATOM 401 CB CYS A 26 4.344 -11.657 -1.245 1.00 0.00 C ATOM 402 SG CYS A 26 2.983 -11.830 -2.455 1.00 0.00 S ATOM 0 H CYS A 26 6.287 -9.226 -0.187 1.00 0.00 H new ATOM 0 HA CYS A 26 3.811 -9.583 -1.173 1.00 0.00 H new ATOM 0 HB2 CYS A 26 5.274 -11.973 -1.718 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.161 -12.338 -0.414 1.00 0.00 H new ATOM 407 N ASP A 27 5.373 -10.273 1.601 1.00 0.00 N ATOM 408 CA ASP A 27 5.263 -10.287 3.057 1.00 0.00 C ATOM 409 C ASP A 27 4.703 -11.620 3.548 1.00 0.00 C ATOM 410 O ASP A 27 3.995 -11.674 4.554 1.00 0.00 O ATOM 411 CB ASP A 27 4.378 -9.136 3.543 1.00 0.00 C ATOM 412 CG ASP A 27 4.771 -7.806 2.931 1.00 0.00 C ATOM 413 OD1 ASP A 27 4.721 -7.686 1.689 1.00 0.00 O ATOM 414 OD2 ASP A 27 5.128 -6.884 3.694 1.00 0.00 O ATOM 0 H ASP A 27 6.330 -10.286 1.249 1.00 0.00 H new ATOM 0 HA ASP A 27 6.264 -10.158 3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.338 -9.352 3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.442 -9.066 4.629 1.00 0.00 H new ATOM 419 N ALA A 28 5.037 -12.694 2.834 1.00 0.00 N ATOM 420 CA ALA A 28 4.587 -14.041 3.189 1.00 0.00 C ATOM 421 C ALA A 28 3.150 -14.305 2.742 1.00 0.00 C ATOM 422 O ALA A 28 2.197 -13.983 3.451 1.00 0.00 O ATOM 423 CB ALA A 28 4.725 -14.276 4.688 1.00 0.00 C ATOM 0 H ALA A 28 5.622 -12.657 2.000 1.00 0.00 H new ATOM 0 HA ALA A 28 5.229 -14.743 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.385 -15.283 4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.770 -14.165 4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.119 -13.548 5.228 1.00 0.00 H new ATOM 429 N PHE A 29 3.010 -14.917 1.567 1.00 0.00 N ATOM 430 CA PHE A 29 1.699 -15.261 1.016 1.00 0.00 C ATOM 431 C PHE A 29 0.835 -14.030 0.737 1.00 0.00 C ATOM 432 O PHE A 29 -0.351 -14.163 0.441 1.00 0.00 O ATOM 433 CB PHE A 29 0.959 -16.200 1.970 1.00 0.00 C ATOM 434 CG PHE A 29 1.391 -17.634 1.857 1.00 0.00 C ATOM 435 CD1 PHE A 29 0.795 -18.479 0.934 1.00 0.00 C ATOM 436 CD2 PHE A 29 2.391 -18.136 2.674 1.00 0.00 C ATOM 437 CE1 PHE A 29 1.190 -19.799 0.828 1.00 0.00 C ATOM 438 CE2 PHE A 29 2.789 -19.455 2.572 1.00 0.00 C ATOM 439 CZ PHE A 29 2.188 -20.288 1.649 1.00 0.00 C ATOM 0 H PHE A 29 3.795 -15.187 0.974 1.00 0.00 H new ATOM 0 HA PHE A 29 1.877 -15.758 0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.116 -15.862 2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.111 -16.135 1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.014 -18.102 0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.864 -17.489 3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.719 -20.448 0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.570 -19.835 3.214 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.497 -21.320 1.569 1.00 0.00 H new ATOM 449 N CYS A 30 1.424 -12.839 0.821 1.00 0.00 N ATOM 450 CA CYS A 30 0.689 -11.603 0.568 1.00 0.00 C ATOM 451 C CYS A 30 -0.585 -11.527 1.412 1.00 0.00 C ATOM 452 O CYS A 30 -1.546 -12.261 1.186 1.00 0.00 O ATOM 453 CB CYS A 30 0.365 -11.485 -0.920 1.00 0.00 C ATOM 454 SG CYS A 30 1.575 -10.490 -1.856 1.00 0.00 S ATOM 0 H CYS A 30 2.406 -12.704 1.062 1.00 0.00 H new ATOM 0 HA CYS A 30 1.321 -10.764 0.859 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.317 -12.484 -1.353 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.624 -11.040 -1.034 1.00 0.00 H new ATOM 459 N SER A 31 -0.568 -10.637 2.401 1.00 0.00 N ATOM 460 CA SER A 31 -1.697 -10.457 3.312 1.00 0.00 C ATOM 461 C SER A 31 -3.040 -10.358 2.577 1.00 0.00 C ATOM 462 O SER A 31 -3.691 -11.373 2.332 1.00 0.00 O ATOM 463 CB SER A 31 -1.476 -9.216 4.183 1.00 0.00 C ATOM 464 OG SER A 31 -2.635 -8.910 4.938 1.00 0.00 O ATOM 0 H SER A 31 0.224 -10.023 2.594 1.00 0.00 H new ATOM 0 HA SER A 31 -1.746 -11.345 3.943 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.635 -9.385 4.855 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.215 -8.367 3.552 1.00 0.00 H new ATOM 0 HG SER A 31 -2.468 -8.115 5.487 1.00 0.00 H new ATOM 470 N ILE A 32 -3.465 -9.136 2.253 1.00 0.00 N ATOM 471 CA ILE A 32 -4.745 -8.928 1.580 1.00 0.00 C ATOM 472 C ILE A 32 -4.615 -9.051 0.051 1.00 0.00 C ATOM 473 O ILE A 32 -4.472 -10.160 -0.465 1.00 0.00 O ATOM 474 CB ILE A 32 -5.368 -7.569 1.994 1.00 0.00 C ATOM 475 CG1 ILE A 32 -6.651 -7.283 1.201 1.00 0.00 C ATOM 476 CG2 ILE A 32 -4.360 -6.437 1.834 1.00 0.00 C ATOM 477 CD1 ILE A 32 -7.874 -7.113 2.075 1.00 0.00 C ATOM 0 H ILE A 32 -2.944 -8.280 2.445 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.422 -9.720 1.902 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.638 -7.632 3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.509 -6.379 0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.825 -8.099 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.821 -5.495 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.492 -6.631 2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.045 -6.375 0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.744 -6.914 1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.041 -8.025 2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.720 -6.278 2.758 1.00 0.00 H new ATOM 489 N ARG A 33 -4.674 -7.932 -0.678 1.00 0.00 N ATOM 490 CA ARG A 33 -4.571 -7.968 -2.132 1.00 0.00 C ATOM 491 C ARG A 33 -3.250 -8.590 -2.571 1.00 0.00 C ATOM 492 O ARG A 33 -3.199 -9.762 -2.947 1.00 0.00 O ATOM 493 CB ARG A 33 -4.710 -6.556 -2.710 1.00 0.00 C ATOM 494 CG ARG A 33 -5.984 -5.847 -2.281 1.00 0.00 C ATOM 495 CD ARG A 33 -7.220 -6.526 -2.848 1.00 0.00 C ATOM 496 NE ARG A 33 -7.685 -5.882 -4.074 1.00 0.00 N ATOM 497 CZ ARG A 33 -8.511 -6.455 -4.946 1.00 0.00 C ATOM 498 NH1 ARG A 33 -8.967 -7.683 -4.731 1.00 0.00 N ATOM 499 NH2 ARG A 33 -8.883 -5.798 -6.037 1.00 0.00 N ATOM 0 H ARG A 33 -4.792 -6.998 -0.284 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.382 -8.588 -2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.851 -5.960 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.685 -6.613 -3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.044 -5.831 -1.193 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.953 -4.809 -2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.997 -7.573 -3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.017 -6.508 -2.104 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.357 -4.937 -4.274 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.685 -8.193 -3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.600 -8.117 -5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.536 -4.854 -6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.516 -6.237 -6.706 1.00 0.00 H new ATOM 513 N GLY A 34 -2.182 -7.802 -2.521 1.00 0.00 N ATOM 514 CA GLY A 34 -0.878 -8.299 -2.915 1.00 0.00 C ATOM 515 C GLY A 34 0.211 -7.254 -2.776 1.00 0.00 C ATOM 516 O GLY A 34 1.189 -7.265 -3.523 1.00 0.00 O ATOM 0 H GLY A 34 -2.196 -6.829 -2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.624 -9.166 -2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.920 -8.639 -3.950 1.00 0.00 H new ATOM 520 N LYS A 35 0.043 -6.347 -1.815 1.00 0.00 N ATOM 521 CA LYS A 35 1.020 -5.287 -1.577 1.00 0.00 C ATOM 522 C LYS A 35 1.458 -4.635 -2.886 1.00 0.00 C ATOM 523 O LYS A 35 2.566 -4.872 -3.366 1.00 0.00 O ATOM 524 CB LYS A 35 2.238 -5.847 -0.839 1.00 0.00 C ATOM 525 CG LYS A 35 1.878 -6.764 0.318 1.00 0.00 C ATOM 526 CD LYS A 35 1.320 -5.983 1.496 1.00 0.00 C ATOM 527 CE LYS A 35 2.364 -5.795 2.585 1.00 0.00 C ATOM 528 NZ LYS A 35 2.219 -4.483 3.274 1.00 0.00 N ATOM 0 H LYS A 35 -0.761 -6.325 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 35 0.545 -4.525 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.861 -6.395 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.837 -5.018 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.144 -7.498 -0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.762 -7.318 0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.969 -5.009 1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.456 -6.507 1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.276 -6.600 3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.360 -5.868 2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.397 -4.604 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.904 -3.807 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.254 -4.121 3.132 1.00 0.00 H new ATOM 542 N ARG A 36 0.582 -3.815 -3.457 1.00 0.00 N ATOM 543 CA ARG A 36 0.882 -3.130 -4.710 1.00 0.00 C ATOM 544 C ARG A 36 2.100 -2.227 -4.552 1.00 0.00 C ATOM 545 O ARG A 36 1.966 -1.027 -4.313 1.00 0.00 O ATOM 546 CB ARG A 36 -0.324 -2.307 -5.169 1.00 0.00 C ATOM 547 CG ARG A 36 -1.579 -3.135 -5.386 1.00 0.00 C ATOM 548 CD ARG A 36 -1.486 -3.969 -6.654 1.00 0.00 C ATOM 549 NE ARG A 36 -1.203 -5.373 -6.366 1.00 0.00 N ATOM 550 CZ ARG A 36 -1.419 -6.365 -7.226 1.00 0.00 C ATOM 551 NH1 ARG A 36 -1.919 -6.111 -8.430 1.00 0.00 N ATOM 552 NH2 ARG A 36 -1.135 -7.614 -6.883 1.00 0.00 N ATOM 0 H ARG A 36 -0.340 -3.609 -3.073 1.00 0.00 H new ATOM 0 HA ARG A 36 1.104 -3.884 -5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.531 -1.536 -4.426 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.072 -1.795 -6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.736 -3.790 -4.529 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.445 -2.476 -5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.422 -3.894 -7.207 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.703 -3.566 -7.297 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.817 -5.607 -5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.139 -5.152 -8.699 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.083 -6.875 -9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.751 -7.815 -5.960 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.301 -8.374 -7.543 1.00 0.00 H new ATOM 566 N VAL A 37 3.288 -2.818 -4.680 1.00 0.00 N ATOM 567 CA VAL A 37 4.545 -2.081 -4.548 1.00 0.00 C ATOM 568 C VAL A 37 4.935 -1.891 -3.080 1.00 0.00 C ATOM 569 O VAL A 37 6.042 -1.442 -2.784 1.00 0.00 O ATOM 570 CB VAL A 37 4.481 -0.699 -5.232 1.00 0.00 C ATOM 571 CG1 VAL A 37 5.877 -0.119 -5.397 1.00 0.00 C ATOM 572 CG2 VAL A 37 3.774 -0.797 -6.577 1.00 0.00 C ATOM 0 H VAL A 37 3.406 -3.812 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 37 5.302 -2.686 -5.047 1.00 0.00 H new ATOM 0 HB VAL A 37 3.906 -0.027 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.811 0.855 -5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.343 -0.007 -4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.479 -0.789 -6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.740 0.188 -7.043 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.317 -1.486 -7.224 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.758 -1.164 -6.428 1.00 0.00 H new ATOM 582 N ASP A 38 4.026 -2.240 -2.167 1.00 0.00 N ATOM 583 CA ASP A 38 4.277 -2.110 -0.731 1.00 0.00 C ATOM 584 C ASP A 38 4.826 -0.729 -0.381 1.00 0.00 C ATOM 585 O ASP A 38 5.991 -0.431 -0.641 1.00 0.00 O ATOM 586 CB ASP A 38 5.252 -3.191 -0.264 1.00 0.00 C ATOM 587 CG ASP A 38 4.931 -3.697 1.129 1.00 0.00 C ATOM 588 OD1 ASP A 38 4.221 -2.985 1.870 1.00 0.00 O ATOM 589 OD2 ASP A 38 5.390 -4.804 1.479 1.00 0.00 O ATOM 0 H ASP A 38 3.107 -2.616 -2.398 1.00 0.00 H new ATOM 0 HA ASP A 38 3.325 -2.235 -0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.228 -4.025 -0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.266 -2.792 -0.278 1.00 0.00 H new ATOM 594 N LEU A 39 3.981 0.112 0.214 1.00 0.00 N ATOM 595 CA LEU A 39 4.387 1.464 0.600 1.00 0.00 C ATOM 596 C LEU A 39 5.766 1.454 1.265 1.00 0.00 C ATOM 597 O LEU A 39 6.781 1.649 0.595 1.00 0.00 O ATOM 598 CB LEU A 39 3.344 2.096 1.528 1.00 0.00 C ATOM 599 CG LEU A 39 2.657 1.129 2.499 1.00 0.00 C ATOM 600 CD1 LEU A 39 2.474 1.782 3.861 1.00 0.00 C ATOM 601 CD2 LEU A 39 1.316 0.672 1.944 1.00 0.00 C ATOM 0 H LEU A 39 3.013 -0.118 0.439 1.00 0.00 H new ATOM 0 HA LEU A 39 4.454 2.068 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.827 2.883 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.579 2.574 0.916 1.00 0.00 H new ATOM 0 HG LEU A 39 3.295 0.253 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.985 1.081 4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.448 2.058 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.858 2.675 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.845 -0.014 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.671 1.537 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.470 0.164 0.992 1.00 0.00 H new ATOM 613 N GLY A 40 5.807 1.207 2.573 1.00 0.00 N ATOM 614 CA GLY A 40 7.079 1.159 3.269 1.00 0.00 C ATOM 615 C GLY A 40 7.285 2.308 4.235 1.00 0.00 C ATOM 616 O GLY A 40 7.137 3.473 3.868 1.00 0.00 O ATOM 0 H GLY A 40 4.988 1.041 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.149 0.219 3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.885 1.163 2.536 1.00 0.00 H new ATOM 620 N CYS A 41 7.646 1.970 5.470 1.00 0.00 N ATOM 621 CA CYS A 41 7.896 2.966 6.507 1.00 0.00 C ATOM 622 C CYS A 41 8.795 2.386 7.597 1.00 0.00 C ATOM 623 O CYS A 41 8.310 1.883 8.610 1.00 0.00 O ATOM 624 CB CYS A 41 6.575 3.444 7.118 1.00 0.00 C ATOM 625 SG CYS A 41 5.579 4.496 6.012 1.00 0.00 S ATOM 0 H CYS A 41 7.773 1.006 5.778 1.00 0.00 H new ATOM 0 HA CYS A 41 8.401 3.817 6.051 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.984 2.574 7.404 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.790 3.998 8.032 1.00 0.00 H new ATOM 630 N ALA A 42 10.107 2.450 7.379 1.00 0.00 N ATOM 631 CA ALA A 42 11.067 1.920 8.344 1.00 0.00 C ATOM 632 C ALA A 42 12.479 2.426 8.060 1.00 0.00 C ATOM 633 O ALA A 42 12.765 2.912 6.966 1.00 0.00 O ATOM 634 CB ALA A 42 11.041 0.399 8.323 1.00 0.00 C ATOM 0 H ALA A 42 10.528 2.862 6.546 1.00 0.00 H new ATOM 0 HA ALA A 42 10.778 2.272 9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.760 0.013 9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.042 0.049 8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.302 0.044 7.326 1.00 0.00 H new ATOM 640 N ALA A 43 13.358 2.306 9.052 1.00 0.00 N ATOM 641 CA ALA A 43 14.740 2.751 8.904 1.00 0.00 C ATOM 642 C ALA A 43 15.684 1.571 8.732 1.00 0.00 C ATOM 643 O ALA A 43 16.174 1.002 9.707 1.00 0.00 O ATOM 644 CB ALA A 43 15.161 3.590 10.092 1.00 0.00 C ATOM 0 H ALA A 43 13.138 1.906 9.964 1.00 0.00 H new ATOM 0 HA ALA A 43 14.796 3.364 8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.194 3.912 9.962 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.515 4.465 10.167 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.077 2.998 11.003 1.00 0.00 H new ATOM 650 N THR A 44 15.929 1.221 7.478 1.00 0.00 N ATOM 651 CA THR A 44 16.814 0.110 7.114 1.00 0.00 C ATOM 652 C THR A 44 16.545 -0.310 5.673 1.00 0.00 C ATOM 653 O THR A 44 15.444 -0.110 5.163 1.00 0.00 O ATOM 654 CB THR A 44 16.618 -1.094 8.046 1.00 0.00 C ATOM 655 OG1 THR A 44 15.334 -1.071 8.644 1.00 0.00 O ATOM 656 CG2 THR A 44 17.644 -1.166 9.157 1.00 0.00 C ATOM 0 H THR A 44 15.520 1.699 6.675 1.00 0.00 H new ATOM 0 HA THR A 44 17.844 0.453 7.216 1.00 0.00 H new ATOM 0 HB THR A 44 16.736 -1.970 7.408 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.387 -0.624 9.515 1.00 0.00 H new ATOM 0 HG21 THR A 44 17.447 -2.040 9.778 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.642 -1.244 8.726 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.582 -0.265 9.768 1.00 0.00 H new ATOM 664 N CYS A 45 17.545 -0.889 5.014 1.00 0.00 N ATOM 665 CA CYS A 45 17.377 -1.321 3.629 1.00 0.00 C ATOM 666 C CYS A 45 18.147 -2.614 3.335 1.00 0.00 C ATOM 667 O CYS A 45 18.942 -2.665 2.396 1.00 0.00 O ATOM 668 CB CYS A 45 17.826 -0.212 2.667 1.00 0.00 C ATOM 669 SG CYS A 45 17.391 1.478 3.207 1.00 0.00 S ATOM 0 H CYS A 45 18.468 -1.068 5.409 1.00 0.00 H new ATOM 0 HA CYS A 45 16.317 -1.525 3.478 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.907 -0.273 2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 45 17.380 -0.394 1.689 1.00 0.00 H new ATOM 674 N PRO A 46 17.926 -3.681 4.133 1.00 0.00 N ATOM 675 CA PRO A 46 18.581 -4.964 3.966 1.00 0.00 C ATOM 676 C PRO A 46 17.663 -5.988 3.299 1.00 0.00 C ATOM 677 O PRO A 46 16.528 -5.671 2.946 1.00 0.00 O ATOM 678 CB PRO A 46 18.848 -5.358 5.420 1.00 0.00 C ATOM 679 CG PRO A 46 17.786 -4.656 6.228 1.00 0.00 C ATOM 680 CD PRO A 46 17.026 -3.751 5.281 1.00 0.00 C ATOM 0 HA PRO A 46 19.466 -4.921 3.331 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.791 -6.439 5.551 1.00 0.00 H new ATOM 0 HB3 PRO A 46 19.846 -5.052 5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 46 17.114 -5.379 6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 46 18.236 -4.077 7.035 1.00 0.00 H new ATOM 0 HD2 PRO A 46 16.055 -4.166 5.012 1.00 0.00 H new ATOM 0 HD3 PRO A 46 16.843 -2.768 5.716 1.00 0.00 H new ATOM 688 N THR A 47 18.162 -7.215 3.129 1.00 0.00 N ATOM 689 CA THR A 47 17.387 -8.295 2.507 1.00 0.00 C ATOM 690 C THR A 47 16.731 -7.838 1.208 1.00 0.00 C ATOM 691 O THR A 47 15.735 -8.406 0.761 1.00 0.00 O ATOM 692 CB THR A 47 16.319 -8.811 3.472 1.00 0.00 C ATOM 693 OG1 THR A 47 15.679 -9.963 2.946 1.00 0.00 O ATOM 694 CG2 THR A 47 15.246 -7.789 3.774 1.00 0.00 C ATOM 0 H THR A 47 19.103 -7.487 3.414 1.00 0.00 H new ATOM 0 HA THR A 47 18.081 -9.102 2.272 1.00 0.00 H new ATOM 0 HB THR A 47 16.851 -9.043 4.395 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.474 -9.820 1.998 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.519 -8.218 4.464 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.700 -6.907 4.226 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.744 -7.504 2.849 1.00 0.00 H new ATOM 702 N VAL A 48 17.305 -6.808 0.616 1.00 0.00 N ATOM 703 CA VAL A 48 16.811 -6.243 -0.629 1.00 0.00 C ATOM 704 C VAL A 48 17.216 -7.103 -1.807 1.00 0.00 C ATOM 705 O VAL A 48 18.009 -6.695 -2.657 1.00 0.00 O ATOM 706 CB VAL A 48 17.392 -4.855 -0.832 1.00 0.00 C ATOM 707 CG1 VAL A 48 16.774 -4.169 -2.041 1.00 0.00 C ATOM 708 CG2 VAL A 48 17.219 -4.025 0.424 1.00 0.00 C ATOM 0 H VAL A 48 18.131 -6.336 0.985 1.00 0.00 H new ATOM 0 HA VAL A 48 15.724 -6.196 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 48 18.459 -4.955 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 48 17.211 -3.177 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.970 -4.761 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.698 -4.076 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.640 -3.032 0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 48 16.158 -3.936 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 48 17.734 -4.509 1.254 1.00 0.00 H new ATOM 718 N LYS A 49 16.681 -8.300 -1.841 1.00 0.00 N ATOM 719 CA LYS A 49 17.000 -9.241 -2.913 1.00 0.00 C ATOM 720 C LYS A 49 16.285 -10.587 -2.711 1.00 0.00 C ATOM 721 O LYS A 49 15.158 -10.620 -2.218 1.00 0.00 O ATOM 722 CB LYS A 49 18.527 -9.418 -3.004 1.00 0.00 C ATOM 723 CG LYS A 49 19.232 -9.432 -1.653 1.00 0.00 C ATOM 724 CD LYS A 49 19.478 -10.852 -1.165 1.00 0.00 C ATOM 725 CE LYS A 49 20.954 -11.104 -0.896 1.00 0.00 C ATOM 726 NZ LYS A 49 21.493 -10.191 0.149 1.00 0.00 N ATOM 0 H LYS A 49 16.024 -8.654 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 49 16.639 -8.835 -3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 49 18.744 -10.351 -3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.940 -8.611 -3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 49 20.182 -8.904 -1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 49 18.629 -8.894 -0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.906 -11.028 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.117 -11.561 -1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.094 -12.138 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 49 21.519 -10.972 -1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 22.328 -10.625 0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.763 -9.286 -0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 20.765 -10.024 0.873 1.00 0.00 H new ATOM 740 N THR A 50 16.932 -11.691 -3.109 1.00 0.00 N ATOM 741 CA THR A 50 16.350 -13.031 -2.989 1.00 0.00 C ATOM 742 C THR A 50 14.942 -13.071 -3.590 1.00 0.00 C ATOM 743 O THR A 50 14.775 -13.366 -4.773 1.00 0.00 O ATOM 744 CB THR A 50 16.346 -13.523 -1.527 1.00 0.00 C ATOM 745 OG1 THR A 50 15.228 -14.357 -1.275 1.00 0.00 O ATOM 746 CG2 THR A 50 16.329 -12.418 -0.489 1.00 0.00 C ATOM 0 H THR A 50 17.866 -11.679 -3.520 1.00 0.00 H new ATOM 0 HA THR A 50 16.981 -13.715 -3.558 1.00 0.00 H new ATOM 0 HB THR A 50 17.286 -14.065 -1.426 1.00 0.00 H new ATOM 0 HG1 THR A 50 15.248 -14.658 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 50 16.327 -12.856 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 50 17.213 -11.792 -0.609 1.00 0.00 H new ATOM 0 HG23 THR A 50 15.434 -11.810 -0.620 1.00 0.00 H new ATOM 754 N GLY A 51 13.936 -12.767 -2.779 1.00 0.00 N ATOM 755 CA GLY A 51 12.569 -12.769 -3.264 1.00 0.00 C ATOM 756 C GLY A 51 11.790 -11.570 -2.766 1.00 0.00 C ATOM 757 O GLY A 51 10.567 -11.619 -2.651 1.00 0.00 O ATOM 0 H GLY A 51 14.042 -12.519 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.571 -12.773 -4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.071 -13.684 -2.943 1.00 0.00 H new ATOM 761 N VAL A 52 12.505 -10.494 -2.461 1.00 0.00 N ATOM 762 CA VAL A 52 11.883 -9.276 -1.958 1.00 0.00 C ATOM 763 C VAL A 52 12.572 -8.037 -2.516 1.00 0.00 C ATOM 764 O VAL A 52 13.578 -7.581 -1.972 1.00 0.00 O ATOM 765 CB VAL A 52 11.958 -9.221 -0.417 1.00 0.00 C ATOM 766 CG1 VAL A 52 11.227 -7.999 0.125 1.00 0.00 C ATOM 767 CG2 VAL A 52 11.409 -10.502 0.192 1.00 0.00 C ATOM 0 H VAL A 52 13.519 -10.441 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 52 10.842 -9.291 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 52 13.006 -9.132 -0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.296 -7.986 1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.682 -7.094 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.179 -8.041 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.471 -10.444 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.368 -10.630 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.994 -11.352 -0.159 1.00 0.00 H new ATOM 777 N ASP A 53 12.024 -7.485 -3.589 1.00 0.00 N ATOM 778 CA ASP A 53 12.596 -6.288 -4.191 1.00 0.00 C ATOM 779 C ASP A 53 12.376 -5.093 -3.275 1.00 0.00 C ATOM 780 O ASP A 53 11.421 -4.333 -3.439 1.00 0.00 O ATOM 781 CB ASP A 53 11.982 -6.029 -5.569 1.00 0.00 C ATOM 782 CG ASP A 53 12.969 -6.271 -6.693 1.00 0.00 C ATOM 783 OD1 ASP A 53 13.855 -7.136 -6.529 1.00 0.00 O ATOM 784 OD2 ASP A 53 12.857 -5.596 -7.738 1.00 0.00 O ATOM 0 H ASP A 53 11.191 -7.842 -4.058 1.00 0.00 H new ATOM 0 HA ASP A 53 13.667 -6.440 -4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.114 -6.675 -5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.624 -5.000 -5.618 1.00 0.00 H new ATOM 789 N ILE A 54 13.261 -4.950 -2.298 1.00 0.00 N ATOM 790 CA ILE A 54 13.168 -3.866 -1.330 1.00 0.00 C ATOM 791 C ILE A 54 13.730 -2.560 -1.878 1.00 0.00 C ATOM 792 O ILE A 54 14.913 -2.262 -1.718 1.00 0.00 O ATOM 793 CB ILE A 54 13.887 -4.224 -0.016 1.00 0.00 C ATOM 794 CG1 ILE A 54 13.236 -5.465 0.620 1.00 0.00 C ATOM 795 CG2 ILE A 54 13.878 -3.038 0.945 1.00 0.00 C ATOM 796 CD1 ILE A 54 12.905 -5.314 2.093 1.00 0.00 C ATOM 0 H ILE A 54 14.055 -5.574 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 54 12.106 -3.725 -1.128 1.00 0.00 H new ATOM 0 HB ILE A 54 14.928 -4.460 -0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.321 -5.699 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 54 13.906 -6.316 0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 54 14.391 -3.313 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 54 14.388 -2.192 0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 54 12.848 -2.761 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.450 -6.234 2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.819 -5.113 2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.208 -4.486 2.226 1.00 0.00 H new ATOM 808 N GLN A 55 12.864 -1.775 -2.501 1.00 0.00 N ATOM 809 CA GLN A 55 13.263 -0.487 -3.048 1.00 0.00 C ATOM 810 C GLN A 55 13.194 0.580 -1.967 1.00 0.00 C ATOM 811 O GLN A 55 12.257 1.377 -1.912 1.00 0.00 O ATOM 812 CB GLN A 55 12.377 -0.105 -4.237 1.00 0.00 C ATOM 813 CG GLN A 55 13.106 -0.128 -5.570 1.00 0.00 C ATOM 814 CD GLN A 55 12.762 -1.347 -6.403 1.00 0.00 C ATOM 815 OE1 GLN A 55 11.789 -2.048 -6.127 1.00 0.00 O ATOM 816 NE2 GLN A 55 13.562 -1.605 -7.431 1.00 0.00 N ATOM 0 H GLN A 55 11.881 -2.007 -2.640 1.00 0.00 H new ATOM 0 HA GLN A 55 14.291 -0.563 -3.403 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.530 -0.790 -4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.971 0.893 -4.071 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.857 0.773 -6.131 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.181 -0.106 -5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.358 -0.997 -7.623 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.381 -2.412 -8.028 1.00 0.00 H new ATOM 825 N CYS A 56 14.200 0.577 -1.106 1.00 0.00 N ATOM 826 CA CYS A 56 14.281 1.532 -0.011 1.00 0.00 C ATOM 827 C CYS A 56 14.580 2.930 -0.555 1.00 0.00 C ATOM 828 O CYS A 56 15.689 3.206 -1.013 1.00 0.00 O ATOM 829 CB CYS A 56 15.344 1.062 1.002 1.00 0.00 C ATOM 830 SG CYS A 56 16.533 2.325 1.571 1.00 0.00 S ATOM 0 H CYS A 56 14.978 -0.082 -1.145 1.00 0.00 H new ATOM 0 HA CYS A 56 13.325 1.586 0.509 1.00 0.00 H new ATOM 0 HB2 CYS A 56 14.830 0.658 1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 56 15.905 0.242 0.554 1.00 0.00 H new ATOM 835 N CYS A 57 13.575 3.803 -0.520 1.00 0.00 N ATOM 836 CA CYS A 57 13.727 5.164 -1.025 1.00 0.00 C ATOM 837 C CYS A 57 12.919 6.153 -0.196 1.00 0.00 C ATOM 838 O CYS A 57 11.854 5.820 0.321 1.00 0.00 O ATOM 839 CB CYS A 57 13.284 5.232 -2.489 1.00 0.00 C ATOM 840 SG CYS A 57 11.639 4.510 -2.804 1.00 0.00 S ATOM 0 H CYS A 57 12.649 3.592 -0.148 1.00 0.00 H new ATOM 0 HA CYS A 57 14.780 5.436 -0.950 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.278 6.274 -2.808 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.020 4.715 -3.104 1.00 0.00 H new ATOM 845 N SER A 58 13.432 7.373 -0.081 1.00 0.00 N ATOM 846 CA SER A 58 12.758 8.421 0.678 1.00 0.00 C ATOM 847 C SER A 58 11.860 9.250 -0.238 1.00 0.00 C ATOM 848 O SER A 58 11.994 10.472 -0.323 1.00 0.00 O ATOM 849 CB SER A 58 13.784 9.324 1.366 1.00 0.00 C ATOM 850 OG SER A 58 14.379 8.668 2.472 1.00 0.00 O ATOM 0 H SER A 58 14.314 7.661 -0.504 1.00 0.00 H new ATOM 0 HA SER A 58 12.138 7.949 1.441 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.555 9.613 0.652 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.300 10.241 1.701 1.00 0.00 H new ATOM 0 HG SER A 58 15.032 9.265 2.894 1.00 0.00 H new ATOM 856 N THR A 59 10.951 8.570 -0.927 1.00 0.00 N ATOM 857 CA THR A 59 10.029 9.224 -1.849 1.00 0.00 C ATOM 858 C THR A 59 10.788 9.853 -3.020 1.00 0.00 C ATOM 859 O THR A 59 11.841 9.355 -3.417 1.00 0.00 O ATOM 860 CB THR A 59 9.183 10.268 -1.118 1.00 0.00 C ATOM 861 OG1 THR A 59 9.074 9.949 0.257 1.00 0.00 O ATOM 862 CG2 THR A 59 7.779 10.380 -1.676 1.00 0.00 C ATOM 0 H THR A 59 10.832 7.559 -0.864 1.00 0.00 H new ATOM 0 HA THR A 59 9.355 8.468 -2.253 1.00 0.00 H new ATOM 0 HB THR A 59 9.697 11.219 -1.261 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.531 10.629 0.708 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.225 11.135 -1.119 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.827 10.666 -2.727 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.273 9.419 -1.585 1.00 0.00 H new ATOM 870 N ASP A 60 10.247 10.932 -3.589 1.00 0.00 N ATOM 871 CA ASP A 60 10.884 11.585 -4.726 1.00 0.00 C ATOM 872 C ASP A 60 11.029 10.595 -5.878 1.00 0.00 C ATOM 873 O ASP A 60 11.912 10.727 -6.725 1.00 0.00 O ATOM 874 CB ASP A 60 12.255 12.139 -4.327 1.00 0.00 C ATOM 875 CG ASP A 60 12.373 13.628 -4.587 1.00 0.00 C ATOM 876 OD1 ASP A 60 11.614 14.146 -5.432 1.00 0.00 O ATOM 877 OD2 ASP A 60 13.226 14.276 -3.944 1.00 0.00 O ATOM 0 H ASP A 60 9.377 11.366 -3.282 1.00 0.00 H new ATOM 0 HA ASP A 60 10.258 12.417 -5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.430 11.942 -3.269 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.032 11.613 -4.882 1.00 0.00 H new ATOM 882 N ASN A 61 10.149 9.595 -5.886 1.00 0.00 N ATOM 883 CA ASN A 61 10.150 8.554 -6.909 1.00 0.00 C ATOM 884 C ASN A 61 9.219 7.412 -6.504 1.00 0.00 C ATOM 885 O ASN A 61 8.687 6.700 -7.356 1.00 0.00 O ATOM 886 CB ASN A 61 11.568 8.015 -7.134 1.00 0.00 C ATOM 887 CG ASN A 61 12.041 8.210 -8.561 1.00 0.00 C ATOM 888 OD1 ASN A 61 11.956 7.300 -9.385 1.00 0.00 O ATOM 889 ND2 ASN A 61 12.544 9.402 -8.859 1.00 0.00 N ATOM 0 H ASN A 61 9.417 9.485 -5.184 1.00 0.00 H new ATOM 0 HA ASN A 61 9.792 8.992 -7.841 1.00 0.00 H new ATOM 0 HB2 ASN A 61 12.257 8.517 -6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.594 6.954 -6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 61 12.879 9.592 -9.803 1.00 0.00 H new ATOM 0 HD22 ASN A 61 12.595 10.127 -8.144 1.00 0.00 H new ATOM 896 N CYS A 62 9.023 7.247 -5.196 1.00 0.00 N ATOM 897 CA CYS A 62 8.152 6.195 -4.676 1.00 0.00 C ATOM 898 C CYS A 62 6.813 6.776 -4.235 1.00 0.00 C ATOM 899 O CYS A 62 6.249 6.385 -3.214 1.00 0.00 O ATOM 900 CB CYS A 62 8.822 5.434 -3.517 1.00 0.00 C ATOM 901 SG CYS A 62 10.417 6.125 -2.951 1.00 0.00 S ATOM 0 H CYS A 62 9.456 7.828 -4.478 1.00 0.00 H new ATOM 0 HA CYS A 62 7.972 5.483 -5.481 1.00 0.00 H new ATOM 0 HB2 CYS A 62 8.134 5.412 -2.672 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.981 4.401 -3.826 1.00 0.00 H new ATOM 906 N ASN A 63 6.320 7.715 -5.030 1.00 0.00 N ATOM 907 CA ASN A 63 5.056 8.381 -4.771 1.00 0.00 C ATOM 908 C ASN A 63 4.227 8.477 -6.056 1.00 0.00 C ATOM 909 O ASN A 63 3.950 9.571 -6.546 1.00 0.00 O ATOM 910 CB ASN A 63 5.331 9.775 -4.208 1.00 0.00 C ATOM 911 CG ASN A 63 4.069 10.537 -3.845 1.00 0.00 C ATOM 912 OD1 ASN A 63 3.260 10.876 -4.708 1.00 0.00 O ATOM 913 ND2 ASN A 63 3.898 10.818 -2.558 1.00 0.00 N ATOM 0 H ASN A 63 6.790 8.036 -5.877 1.00 0.00 H new ATOM 0 HA ASN A 63 4.485 7.803 -4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.959 9.684 -3.322 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.896 10.350 -4.941 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.072 11.333 -2.254 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.593 10.519 -1.874 1.00 0.00 H new ATOM 920 N PRO A 64 3.828 7.325 -6.629 1.00 0.00 N ATOM 921 CA PRO A 64 3.036 7.292 -7.866 1.00 0.00 C ATOM 922 C PRO A 64 1.716 8.041 -7.730 1.00 0.00 C ATOM 923 O PRO A 64 1.083 8.019 -6.675 1.00 0.00 O ATOM 924 CB PRO A 64 2.780 5.798 -8.095 1.00 0.00 C ATOM 925 CG PRO A 64 3.849 5.104 -7.326 1.00 0.00 C ATOM 926 CD PRO A 64 4.120 5.970 -6.130 1.00 0.00 C ATOM 0 HA PRO A 64 3.557 7.778 -8.691 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.789 5.509 -7.744 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.829 5.547 -9.154 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.528 4.107 -7.023 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.748 4.980 -7.930 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.483 5.704 -5.287 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.152 5.878 -5.791 1.00 0.00 H new ATOM 934 N PHE A 65 1.306 8.705 -8.806 1.00 0.00 N ATOM 935 CA PHE A 65 0.061 9.463 -8.809 1.00 0.00 C ATOM 936 C PHE A 65 -1.147 8.532 -8.894 1.00 0.00 C ATOM 937 O PHE A 65 -1.018 7.369 -9.275 1.00 0.00 O ATOM 938 CB PHE A 65 0.048 10.451 -9.976 1.00 0.00 C ATOM 939 CG PHE A 65 0.940 11.640 -9.761 1.00 0.00 C ATOM 940 CD1 PHE A 65 0.492 12.739 -9.045 1.00 0.00 C ATOM 941 CD2 PHE A 65 2.227 11.659 -10.274 1.00 0.00 C ATOM 942 CE1 PHE A 65 1.311 13.834 -8.845 1.00 0.00 C ATOM 943 CE2 PHE A 65 3.051 12.751 -10.077 1.00 0.00 C ATOM 944 CZ PHE A 65 2.592 13.840 -9.361 1.00 0.00 C ATOM 0 H PHE A 65 1.819 8.733 -9.687 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.002 10.017 -7.873 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.358 9.933 -10.884 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.973 10.797 -10.138 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.509 12.740 -8.639 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.591 10.810 -10.834 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.950 14.684 -8.286 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.052 12.753 -10.482 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.234 14.694 -9.205 1.00 0.00 H new ATOM 954 N PRO A 66 -2.342 9.035 -8.534 1.00 0.00 N ATOM 955 CA PRO A 66 -3.577 8.244 -8.567 1.00 0.00 C ATOM 956 C PRO A 66 -3.732 7.443 -9.856 1.00 0.00 C ATOM 957 O PRO A 66 -3.858 8.010 -10.942 1.00 0.00 O ATOM 958 CB PRO A 66 -4.670 9.305 -8.460 1.00 0.00 C ATOM 959 CG PRO A 66 -4.042 10.409 -7.683 1.00 0.00 C ATOM 960 CD PRO A 66 -2.585 10.414 -8.062 1.00 0.00 C ATOM 0 HA PRO A 66 -3.603 7.497 -7.774 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.991 9.645 -9.445 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.553 8.916 -7.954 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.509 11.365 -7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.165 10.250 -6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.376 11.147 -8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.951 10.664 -7.212 1.00 0.00 H new ATOM 968 N THR A 67 -3.726 6.121 -9.724 1.00 0.00 N ATOM 969 CA THR A 67 -3.871 5.232 -10.872 1.00 0.00 C ATOM 970 C THR A 67 -4.793 4.066 -10.532 1.00 0.00 C ATOM 971 O THR A 67 -5.681 3.713 -11.309 1.00 0.00 O ATOM 972 CB THR A 67 -2.505 4.704 -11.312 1.00 0.00 C ATOM 973 OG1 THR A 67 -1.895 3.967 -10.269 1.00 0.00 O ATOM 974 CG2 THR A 67 -1.542 5.798 -11.723 1.00 0.00 C ATOM 0 H THR A 67 -3.622 5.640 -8.831 1.00 0.00 H new ATOM 0 HA THR A 67 -4.311 5.800 -11.691 1.00 0.00 H new ATOM 0 HB THR A 67 -2.705 4.074 -12.179 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.023 3.636 -10.569 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.593 5.354 -12.023 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.962 6.357 -12.559 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.377 6.472 -10.883 1.00 0.00 H new ATOM 982 N ARG A 68 -4.576 3.475 -9.359 1.00 0.00 N ATOM 983 CA ARG A 68 -5.383 2.347 -8.893 1.00 0.00 C ATOM 984 C ARG A 68 -5.530 1.285 -9.981 1.00 0.00 C ATOM 985 O ARG A 68 -6.495 1.296 -10.745 1.00 0.00 O ATOM 986 CB ARG A 68 -6.773 2.813 -8.433 1.00 0.00 C ATOM 987 CG ARG A 68 -6.869 4.297 -8.097 1.00 0.00 C ATOM 988 CD ARG A 68 -6.390 4.585 -6.684 1.00 0.00 C ATOM 989 NE ARG A 68 -5.068 5.209 -6.668 1.00 0.00 N ATOM 990 CZ ARG A 68 -3.934 4.553 -6.421 1.00 0.00 C ATOM 991 NH1 ARG A 68 -3.947 3.249 -6.173 1.00 0.00 N ATOM 992 NH2 ARG A 68 -2.780 5.207 -6.427 1.00 0.00 N ATOM 0 H ARG A 68 -3.843 3.760 -8.709 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.861 1.907 -8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.495 2.584 -9.217 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.062 2.236 -7.555 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.273 4.870 -8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.902 4.629 -8.206 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.105 5.239 -6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.359 3.655 -6.116 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.010 6.209 -6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.830 2.739 -6.170 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.074 2.757 -5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.762 6.208 -6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.910 4.709 -6.238 1.00 0.00 H new ATOM 1006 N LYS A 69 -4.569 0.369 -10.039 1.00 0.00 N ATOM 1007 CA LYS A 69 -4.588 -0.705 -11.028 1.00 0.00 C ATOM 1008 C LYS A 69 -4.644 -0.145 -12.451 1.00 0.00 C ATOM 1009 O LYS A 69 -3.610 0.028 -13.096 1.00 0.00 O ATOM 1010 CB LYS A 69 -5.773 -1.641 -10.773 1.00 0.00 C ATOM 1011 CG LYS A 69 -5.680 -2.393 -9.455 1.00 0.00 C ATOM 1012 CD LYS A 69 -7.031 -2.948 -9.033 1.00 0.00 C ATOM 1013 CE LYS A 69 -7.473 -4.086 -9.938 1.00 0.00 C ATOM 1014 NZ LYS A 69 -8.853 -4.546 -9.619 1.00 0.00 N ATOM 0 H LYS A 69 -3.765 0.348 -9.412 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.663 -1.274 -10.928 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.695 -1.059 -10.786 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.839 -2.361 -11.589 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.964 -3.209 -9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.302 -1.726 -8.680 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.975 -3.301 -8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.776 -2.153 -9.057 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.430 -3.761 -10.977 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.780 -4.921 -9.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.117 -5.323 -10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.889 -4.880 -8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.519 -3.756 -9.741 1.00 0.00 H new ATOM 1028 N ARG A 70 -5.852 0.140 -12.936 1.00 0.00 N ATOM 1029 CA ARG A 70 -6.031 0.681 -14.279 1.00 0.00 C ATOM 1030 C ARG A 70 -7.515 0.815 -14.618 1.00 0.00 C ATOM 1031 O ARG A 70 -8.003 1.915 -14.876 1.00 0.00 O ATOM 1032 CB ARG A 70 -5.335 -0.210 -15.314 1.00 0.00 C ATOM 1033 CG ARG A 70 -4.183 0.478 -16.029 1.00 0.00 C ATOM 1034 CD ARG A 70 -4.154 0.128 -17.508 1.00 0.00 C ATOM 1035 NE ARG A 70 -3.803 1.279 -18.336 1.00 0.00 N ATOM 1036 CZ ARG A 70 -3.367 1.185 -19.590 1.00 0.00 C ATOM 1037 NH1 ARG A 70 -3.227 -0.004 -20.164 1.00 0.00 N ATOM 1038 NH2 ARG A 70 -3.071 2.283 -20.272 1.00 0.00 N ATOM 0 H ARG A 70 -6.720 0.005 -12.418 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.579 1.672 -14.306 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.961 -1.106 -14.818 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.068 -0.536 -16.052 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.274 1.558 -15.912 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.240 0.185 -15.567 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.434 -0.673 -17.677 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.130 -0.252 -17.810 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.898 2.210 -17.929 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.454 -0.851 -19.644 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.892 -0.070 -21.125 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.177 3.199 -19.836 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.737 2.212 -21.233 1.00 0.00 H new ATOM 1052 N PRO A 71 -8.255 -0.308 -14.624 1.00 0.00 N ATOM 1053 CA PRO A 71 -9.686 -0.307 -14.935 1.00 0.00 C ATOM 1054 C PRO A 71 -10.526 0.273 -13.801 1.00 0.00 C ATOM 1055 O PRO A 71 -11.090 1.372 -13.986 1.00 0.00 O ATOM 1056 CB PRO A 71 -10.004 -1.790 -15.131 1.00 0.00 C ATOM 1057 CG PRO A 71 -9.003 -2.503 -14.291 1.00 0.00 C ATOM 1058 CD PRO A 71 -7.753 -1.665 -14.329 1.00 0.00 C ATOM 1059 OXT PRO A 71 -10.615 -0.378 -12.739 1.00 0.00 O ATOM 0 HA PRO A 71 -9.915 0.312 -15.803 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.022 -2.022 -14.817 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.920 -2.078 -16.179 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.364 -2.619 -13.269 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.813 -3.504 -14.677 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.219 -1.698 -13.379 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.061 -2.012 -15.096 1.00 0.00 H new TER 1067 PRO A 71 ATOM 1068 N TYR B 181 -26.556 -7.912 -0.061 1.00 0.00 N ATOM 1069 CA TYR B 181 -27.972 -7.496 -0.235 1.00 0.00 C ATOM 1070 C TYR B 181 -28.078 -6.002 -0.523 1.00 0.00 C ATOM 1071 O TYR B 181 -28.901 -5.573 -1.332 1.00 0.00 O ATOM 1072 CB TYR B 181 -28.743 -7.847 1.040 1.00 0.00 C ATOM 1073 CG TYR B 181 -30.201 -7.447 1.001 1.00 0.00 C ATOM 1074 CD1 TYR B 181 -31.013 -7.811 -0.066 1.00 0.00 C ATOM 1075 CD2 TYR B 181 -30.764 -6.704 2.030 1.00 0.00 C ATOM 1076 CE1 TYR B 181 -32.346 -7.446 -0.105 1.00 0.00 C ATOM 1077 CE2 TYR B 181 -32.096 -6.335 1.999 1.00 0.00 C ATOM 1078 CZ TYR B 181 -32.882 -6.709 0.930 1.00 0.00 C ATOM 1079 OH TYR B 181 -34.208 -6.343 0.894 1.00 0.00 O ATOM 0 HA TYR B 181 -28.398 -8.023 -1.089 1.00 0.00 H new ATOM 0 HB2 TYR B 181 -28.675 -8.921 1.210 1.00 0.00 H new ATOM 0 HB3 TYR B 181 -28.264 -7.359 1.889 1.00 0.00 H new ATOM 0 HD1 TYR B 181 -30.596 -8.388 -0.878 1.00 0.00 H new ATOM 0 HD2 TYR B 181 -30.151 -6.409 2.869 1.00 0.00 H new ATOM 0 HE1 TYR B 181 -32.964 -7.737 -0.942 1.00 0.00 H new ATOM 0 HE2 TYR B 181 -32.518 -5.757 2.808 1.00 0.00 H new ATOM 0 HH TYR B 181 -34.427 -5.829 1.699 1.00 0.00 H new ATOM 1091 N ARG B 182 -27.242 -5.211 0.145 1.00 0.00 N ATOM 1092 CA ARG B 182 -27.246 -3.763 -0.043 1.00 0.00 C ATOM 1093 C ARG B 182 -25.939 -3.289 -0.679 1.00 0.00 C ATOM 1094 O ARG B 182 -25.856 -3.131 -1.897 1.00 0.00 O ATOM 1095 CB ARG B 182 -27.479 -3.044 1.292 1.00 0.00 C ATOM 1096 CG ARG B 182 -26.996 -3.822 2.508 1.00 0.00 C ATOM 1097 CD ARG B 182 -28.047 -4.808 2.990 1.00 0.00 C ATOM 1098 NE ARG B 182 -28.788 -4.297 4.140 1.00 0.00 N ATOM 1099 CZ ARG B 182 -28.315 -4.290 5.384 1.00 0.00 C ATOM 1100 NH1 ARG B 182 -27.104 -4.767 5.643 1.00 0.00 N ATOM 1101 NH2 ARG B 182 -29.054 -3.804 6.371 1.00 0.00 N ATOM 0 H ARG B 182 -26.555 -5.547 0.820 1.00 0.00 H new ATOM 0 HA ARG B 182 -28.065 -3.516 -0.719 1.00 0.00 H new ATOM 0 HB2 ARG B 182 -26.972 -2.079 1.266 1.00 0.00 H new ATOM 0 HB3 ARG B 182 -28.544 -2.842 1.403 1.00 0.00 H new ATOM 0 HG2 ARG B 182 -26.080 -4.358 2.259 1.00 0.00 H new ATOM 0 HG3 ARG B 182 -26.751 -3.128 3.312 1.00 0.00 H new ATOM 0 HD2 ARG B 182 -28.741 -5.024 2.178 1.00 0.00 H new ATOM 0 HD3 ARG B 182 -27.566 -5.749 3.257 1.00 0.00 H new ATOM 0 HE ARG B 182 -29.724 -3.923 3.980 1.00 0.00 H new ATOM 0 HH11 ARG B 182 -26.531 -5.141 4.887 1.00 0.00 H new ATOM 0 HH12 ARG B 182 -26.746 -4.759 6.598 1.00 0.00 H new ATOM 0 HH21 ARG B 182 -29.985 -3.435 6.177 1.00 0.00 H new ATOM 0 HH22 ARG B 182 -28.692 -3.799 7.324 1.00 0.00 H new ATOM 1115 N GLY B 183 -24.921 -3.064 0.149 1.00 0.00 N ATOM 1116 CA GLY B 183 -23.639 -2.613 -0.360 1.00 0.00 C ATOM 1117 C GLY B 183 -22.716 -3.763 -0.705 1.00 0.00 C ATOM 1118 O GLY B 183 -23.146 -4.762 -1.283 1.00 0.00 O ATOM 0 H GLY B 183 -24.962 -3.186 1.161 1.00 0.00 H new ATOM 0 HA2 GLY B 183 -23.799 -2.001 -1.247 1.00 0.00 H new ATOM 0 HA3 GLY B 183 -23.160 -1.977 0.384 1.00 0.00 H new ATOM 1122 N TRP B 184 -21.444 -3.625 -0.348 1.00 0.00 N ATOM 1123 CA TRP B 184 -20.456 -4.662 -0.620 1.00 0.00 C ATOM 1124 C TRP B 184 -19.686 -5.019 0.646 1.00 0.00 C ATOM 1125 O TRP B 184 -20.019 -4.560 1.738 1.00 0.00 O ATOM 1126 CB TRP B 184 -19.483 -4.203 -1.707 1.00 0.00 C ATOM 1127 CG TRP B 184 -20.163 -3.686 -2.937 1.00 0.00 C ATOM 1128 CD1 TRP B 184 -19.929 -2.496 -3.564 1.00 0.00 C ATOM 1129 CD2 TRP B 184 -21.187 -4.344 -3.691 1.00 0.00 C ATOM 1130 NE1 TRP B 184 -20.747 -2.374 -4.662 1.00 0.00 N ATOM 1131 CE2 TRP B 184 -21.528 -3.495 -4.761 1.00 0.00 C ATOM 1132 CE3 TRP B 184 -21.849 -5.569 -3.566 1.00 0.00 C ATOM 1133 CZ2 TRP B 184 -22.501 -3.833 -5.698 1.00 0.00 C ATOM 1134 CZ3 TRP B 184 -22.815 -5.902 -4.497 1.00 0.00 C ATOM 1135 CH2 TRP B 184 -23.133 -5.037 -5.551 1.00 0.00 C ATOM 0 H TRP B 184 -21.073 -2.804 0.131 1.00 0.00 H new ATOM 0 HA TRP B 184 -20.985 -5.549 -0.970 1.00 0.00 H new ATOM 0 HB2 TRP B 184 -18.840 -3.422 -1.302 1.00 0.00 H new ATOM 0 HB3 TRP B 184 -18.837 -5.037 -1.982 1.00 0.00 H new ATOM 0 HD1 TRP B 184 -19.207 -1.759 -3.244 1.00 0.00 H new ATOM 0 HE1 TRP B 184 -20.769 -1.578 -5.299 1.00 0.00 H new ATOM 0 HE3 TRP B 184 -21.610 -6.243 -2.757 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 -22.748 -3.168 -6.512 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 -23.333 -6.846 -4.410 1.00 0.00 H new ATOM 0 HH2 TRP B 184 -23.893 -5.326 -6.262 1.00 0.00 H new ATOM 1146 N LYS B 185 -18.652 -5.839 0.491 1.00 0.00 N ATOM 1147 CA LYS B 185 -17.831 -6.255 1.622 1.00 0.00 C ATOM 1148 C LYS B 185 -17.225 -5.045 2.327 1.00 0.00 C ATOM 1149 O LYS B 185 -16.910 -4.038 1.693 1.00 0.00 O ATOM 1150 CB LYS B 185 -16.719 -7.194 1.152 1.00 0.00 C ATOM 1151 CG LYS B 185 -16.009 -6.716 -0.103 1.00 0.00 C ATOM 1152 CD LYS B 185 -14.532 -7.072 -0.077 1.00 0.00 C ATOM 1153 CE LYS B 185 -14.250 -8.339 -0.869 1.00 0.00 C ATOM 1154 NZ LYS B 185 -14.768 -8.251 -2.262 1.00 0.00 N ATOM 0 H LYS B 185 -18.363 -6.228 -0.406 1.00 0.00 H new ATOM 0 HA LYS B 185 -18.470 -6.784 2.329 1.00 0.00 H new ATOM 0 HB2 LYS B 185 -15.988 -7.307 1.952 1.00 0.00 H new ATOM 0 HB3 LYS B 185 -17.143 -8.181 0.966 1.00 0.00 H new ATOM 0 HG2 LYS B 185 -16.477 -7.164 -0.980 1.00 0.00 H new ATOM 0 HG3 LYS B 185 -16.122 -5.636 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS B 185 -13.951 -6.247 -0.489 1.00 0.00 H new ATOM 0 HD3 LYS B 185 -14.207 -7.207 0.955 1.00 0.00 H new ATOM 0 HE2 LYS B 185 -13.176 -8.521 -0.892 1.00 0.00 H new ATOM 0 HE3 LYS B 185 -14.707 -9.191 -0.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 -14.041 -8.589 -2.925 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 -15.620 -8.840 -2.353 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 -15.005 -7.263 -2.482 1.00 0.00 H new ATOM 1168 N HIS B 186 -17.061 -5.152 3.642 1.00 0.00 N ATOM 1169 CA HIS B 186 -16.489 -4.064 4.432 1.00 0.00 C ATOM 1170 C HIS B 186 -15.082 -4.418 4.895 1.00 0.00 C ATOM 1171 O HIS B 186 -14.767 -4.356 6.083 1.00 0.00 O ATOM 1172 CB HIS B 186 -17.381 -3.732 5.637 1.00 0.00 C ATOM 1173 CG HIS B 186 -18.287 -4.851 6.054 1.00 0.00 C ATOM 1174 ND1 HIS B 186 -19.628 -4.893 5.734 1.00 0.00 N ATOM 1175 CD2 HIS B 186 -18.037 -5.975 6.767 1.00 0.00 C ATOM 1176 CE1 HIS B 186 -20.164 -5.992 6.233 1.00 0.00 C ATOM 1177 NE2 HIS B 186 -19.220 -6.667 6.864 1.00 0.00 N ATOM 0 H HIS B 186 -17.315 -5.978 4.183 1.00 0.00 H new ATOM 0 HA HIS B 186 -16.433 -3.181 3.796 1.00 0.00 H new ATOM 0 HB2 HIS B 186 -16.747 -3.459 6.480 1.00 0.00 H new ATOM 0 HB3 HIS B 186 -17.987 -2.858 5.397 1.00 0.00 H new ATOM 0 HD2 HIS B 186 -17.085 -6.272 7.182 1.00 0.00 H new ATOM 0 HE1 HIS B 186 -21.198 -6.288 6.141 1.00 0.00 H new ATOM 0 HE2 HIS B 186 -19.348 -7.557 7.345 1.00 0.00 H new ATOM 1186 N TRP B 187 -14.242 -4.794 3.939 1.00 0.00 N ATOM 1187 CA TRP B 187 -12.864 -5.164 4.226 1.00 0.00 C ATOM 1188 C TRP B 187 -12.018 -5.080 2.959 1.00 0.00 C ATOM 1189 O TRP B 187 -11.629 -6.101 2.392 1.00 0.00 O ATOM 1190 CB TRP B 187 -12.822 -6.579 4.801 1.00 0.00 C ATOM 1191 CG TRP B 187 -11.772 -6.771 5.852 1.00 0.00 C ATOM 1192 CD1 TRP B 187 -10.633 -6.038 6.022 1.00 0.00 C ATOM 1193 CD2 TRP B 187 -11.766 -7.767 6.881 1.00 0.00 C ATOM 1194 NE1 TRP B 187 -9.919 -6.517 7.094 1.00 0.00 N ATOM 1195 CE2 TRP B 187 -10.594 -7.579 7.638 1.00 0.00 C ATOM 1196 CE3 TRP B 187 -12.639 -8.800 7.236 1.00 0.00 C ATOM 1197 CZ2 TRP B 187 -10.274 -8.385 8.728 1.00 0.00 C ATOM 1198 CZ3 TRP B 187 -12.320 -9.599 8.318 1.00 0.00 C ATOM 1199 CH2 TRP B 187 -11.147 -9.388 9.053 1.00 0.00 C ATOM 0 H TRP B 187 -14.494 -4.851 2.952 1.00 0.00 H new ATOM 0 HA TRP B 187 -12.453 -4.470 4.959 1.00 0.00 H new ATOM 0 HB2 TRP B 187 -13.797 -6.818 5.226 1.00 0.00 H new ATOM 0 HB3 TRP B 187 -12.646 -7.286 3.990 1.00 0.00 H new ATOM 0 HD1 TRP B 187 -10.336 -5.203 5.404 1.00 0.00 H new ATOM 0 HE1 TRP B 187 -9.031 -6.143 7.430 1.00 0.00 H new ATOM 0 HE3 TRP B 187 -13.546 -8.971 6.675 1.00 0.00 H new ATOM 0 HZ2 TRP B 187 -9.370 -8.224 9.296 1.00 0.00 H new ATOM 0 HZ3 TRP B 187 -12.987 -10.400 8.601 1.00 0.00 H new ATOM 0 HH2 TRP B 187 -10.927 -10.030 9.893 1.00 0.00 H new ATOM 1210 N VAL B 188 -11.754 -3.858 2.506 1.00 0.00 N ATOM 1211 CA VAL B 188 -10.974 -3.649 1.291 1.00 0.00 C ATOM 1212 C VAL B 188 -9.494 -3.381 1.605 1.00 0.00 C ATOM 1213 O VAL B 188 -8.873 -4.141 2.348 1.00 0.00 O ATOM 1214 CB VAL B 188 -11.572 -2.506 0.436 1.00 0.00 C ATOM 1215 CG1 VAL B 188 -11.102 -2.613 -1.009 1.00 0.00 C ATOM 1216 CG2 VAL B 188 -13.093 -2.523 0.505 1.00 0.00 C ATOM 0 H VAL B 188 -12.068 -3.000 2.960 1.00 0.00 H new ATOM 0 HA VAL B 188 -11.024 -4.570 0.711 1.00 0.00 H new ATOM 0 HB VAL B 188 -11.220 -1.557 0.842 1.00 0.00 H new ATOM 0 HG11 VAL B 188 -11.534 -1.800 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL B 188 -10.015 -2.547 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL B 188 -11.421 -3.568 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL B 188 -13.494 -1.712 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL B 188 -13.464 -3.476 0.128 1.00 0.00 H new ATOM 0 HG23 VAL B 188 -13.412 -2.393 1.539 1.00 0.00 H new ATOM 1226 N TYR B 189 -8.924 -2.316 1.030 1.00 0.00 N ATOM 1227 CA TYR B 189 -7.520 -1.977 1.244 1.00 0.00 C ATOM 1228 C TYR B 189 -7.085 -0.909 0.244 1.00 0.00 C ATOM 1229 O TYR B 189 -6.514 0.115 0.615 1.00 0.00 O ATOM 1230 CB TYR B 189 -6.641 -3.230 1.098 1.00 0.00 C ATOM 1231 CG TYR B 189 -5.238 -2.950 0.601 1.00 0.00 C ATOM 1232 CD1 TYR B 189 -4.952 -2.930 -0.758 1.00 0.00 C ATOM 1233 CD2 TYR B 189 -4.205 -2.702 1.494 1.00 0.00 C ATOM 1234 CE1 TYR B 189 -3.672 -2.671 -1.212 1.00 0.00 C ATOM 1235 CE2 TYR B 189 -2.924 -2.443 1.049 1.00 0.00 C ATOM 1236 CZ TYR B 189 -2.662 -2.428 -0.305 1.00 0.00 C ATOM 1237 OH TYR B 189 -1.387 -2.170 -0.753 1.00 0.00 O ATOM 0 H TYR B 189 -9.419 -1.674 0.411 1.00 0.00 H new ATOM 0 HA TYR B 189 -7.402 -1.586 2.254 1.00 0.00 H new ATOM 0 HB2 TYR B 189 -6.579 -3.731 2.064 1.00 0.00 H new ATOM 0 HB3 TYR B 189 -7.126 -3.923 0.410 1.00 0.00 H new ATOM 0 HD1 TYR B 189 -5.741 -3.120 -1.471 1.00 0.00 H new ATOM 0 HD2 TYR B 189 -4.407 -2.712 2.555 1.00 0.00 H new ATOM 0 HE1 TYR B 189 -3.464 -2.659 -2.272 1.00 0.00 H new ATOM 0 HE2 TYR B 189 -2.131 -2.253 1.757 1.00 0.00 H new ATOM 0 HH TYR B 189 -0.795 -2.019 0.013 1.00 0.00 H new ATOM 1247 N TYR B 190 -7.362 -1.169 -1.027 1.00 0.00 N ATOM 1248 CA TYR B 190 -7.006 -0.249 -2.099 1.00 0.00 C ATOM 1249 C TYR B 190 -7.894 0.991 -2.077 1.00 0.00 C ATOM 1250 O TYR B 190 -8.966 0.994 -1.472 1.00 0.00 O ATOM 1251 CB TYR B 190 -7.130 -0.961 -3.447 1.00 0.00 C ATOM 1252 CG TYR B 190 -6.052 -0.596 -4.445 1.00 0.00 C ATOM 1253 CD1 TYR B 190 -4.728 -0.449 -4.051 1.00 0.00 C ATOM 1254 CD2 TYR B 190 -6.361 -0.407 -5.788 1.00 0.00 C ATOM 1255 CE1 TYR B 190 -3.743 -0.123 -4.964 1.00 0.00 C ATOM 1256 CE2 TYR B 190 -5.381 -0.083 -6.706 1.00 0.00 C ATOM 1257 CZ TYR B 190 -4.074 0.059 -6.290 1.00 0.00 C ATOM 1258 OH TYR B 190 -3.095 0.380 -7.202 1.00 0.00 O ATOM 0 H TYR B 190 -7.836 -2.016 -1.342 1.00 0.00 H new ATOM 0 HA TYR B 190 -5.976 0.074 -1.950 1.00 0.00 H new ATOM 0 HB2 TYR B 190 -7.105 -2.038 -3.280 1.00 0.00 H new ATOM 0 HB3 TYR B 190 -8.103 -0.728 -3.879 1.00 0.00 H new ATOM 0 HD1 TYR B 190 -4.464 -0.592 -3.014 1.00 0.00 H new ATOM 0 HD2 TYR B 190 -7.384 -0.515 -6.118 1.00 0.00 H new ATOM 0 HE1 TYR B 190 -2.719 -0.011 -4.640 1.00 0.00 H new ATOM 0 HE2 TYR B 190 -5.637 0.059 -7.746 1.00 0.00 H new ATOM 0 HH TYR B 190 -2.828 -0.425 -7.692 1.00 0.00 H new ATOM 1268 N THR B 191 -7.432 2.045 -2.741 1.00 0.00 N ATOM 1269 CA THR B 191 -8.166 3.306 -2.808 1.00 0.00 C ATOM 1270 C THR B 191 -9.645 3.081 -3.115 1.00 0.00 C ATOM 1271 O THR B 191 -10.029 2.051 -3.670 1.00 0.00 O ATOM 1272 CB THR B 191 -7.546 4.219 -3.865 1.00 0.00 C ATOM 1273 OG1 THR B 191 -6.130 4.166 -3.802 1.00 0.00 O ATOM 1274 CG2 THR B 191 -7.962 5.667 -3.721 1.00 0.00 C ATOM 0 H THR B 191 -6.545 2.051 -3.245 1.00 0.00 H new ATOM 0 HA THR B 191 -8.097 3.783 -1.830 1.00 0.00 H new ATOM 0 HB THR B 191 -7.912 3.848 -4.822 1.00 0.00 H new ATOM 0 HG1 THR B 191 -5.757 5.025 -4.092 1.00 0.00 H new ATOM 0 HG21 THR B 191 -7.487 6.261 -4.502 1.00 0.00 H new ATOM 0 HG22 THR B 191 -9.045 5.745 -3.814 1.00 0.00 H new ATOM 0 HG23 THR B 191 -7.654 6.039 -2.744 1.00 0.00 H new ATOM 1282 N CYS B 192 -10.467 4.057 -2.738 1.00 0.00 N ATOM 1283 CA CYS B 192 -11.914 3.995 -2.949 1.00 0.00 C ATOM 1284 C CYS B 192 -12.616 4.940 -2.020 1.00 0.00 C ATOM 1285 O CYS B 192 -13.430 5.776 -2.413 1.00 0.00 O ATOM 1286 CB CYS B 192 -12.481 2.596 -2.617 1.00 0.00 C ATOM 1287 SG CYS B 192 -14.169 2.625 -1.850 1.00 0.00 S ATOM 0 H CYS B 192 -10.152 4.912 -2.279 1.00 0.00 H new ATOM 0 HA CYS B 192 -12.079 4.244 -3.997 1.00 0.00 H new ATOM 0 HB2 CYS B 192 -12.520 2.005 -3.532 1.00 0.00 H new ATOM 0 HB3 CYS B 192 -11.794 2.089 -1.939 1.00 0.00 H new ATOM 1292 N CYS B 193 -12.365 4.676 -0.762 1.00 0.00 N ATOM 1293 CA CYS B 193 -13.019 5.347 0.314 1.00 0.00 C ATOM 1294 C CYS B 193 -12.040 5.587 1.460 1.00 0.00 C ATOM 1295 O CYS B 193 -10.912 5.098 1.421 1.00 0.00 O ATOM 1296 CB CYS B 193 -14.160 4.415 0.731 1.00 0.00 C ATOM 1297 SG CYS B 193 -13.909 2.663 0.190 1.00 0.00 S ATOM 0 H CYS B 193 -11.688 3.976 -0.460 1.00 0.00 H new ATOM 0 HA CYS B 193 -13.397 6.329 0.027 1.00 0.00 H new ATOM 0 HB2 CYS B 193 -14.264 4.442 1.816 1.00 0.00 H new ATOM 0 HB3 CYS B 193 -15.095 4.787 0.312 1.00 0.00 H new ATOM 1302 N PRO B 194 -12.443 6.334 2.500 1.00 0.00 N ATOM 1303 CA PRO B 194 -11.570 6.610 3.641 1.00 0.00 C ATOM 1304 C PRO B 194 -10.904 5.334 4.161 1.00 0.00 C ATOM 1305 O PRO B 194 -9.801 4.990 3.735 1.00 0.00 O ATOM 1306 CB PRO B 194 -12.511 7.234 4.688 1.00 0.00 C ATOM 1307 CG PRO B 194 -13.896 7.045 4.153 1.00 0.00 C ATOM 1308 CD PRO B 194 -13.760 6.957 2.660 1.00 0.00 C ATOM 0 HA PRO B 194 -10.742 7.271 3.384 1.00 0.00 H new ATOM 0 HB2 PRO B 194 -12.396 6.748 5.657 1.00 0.00 H new ATOM 0 HB3 PRO B 194 -12.289 8.291 4.834 1.00 0.00 H new ATOM 0 HG2 PRO B 194 -14.349 6.139 4.557 1.00 0.00 H new ATOM 0 HG3 PRO B 194 -14.540 7.877 4.437 1.00 0.00 H new ATOM 0 HD2 PRO B 194 -14.551 6.354 2.215 1.00 0.00 H new ATOM 0 HD3 PRO B 194 -13.805 7.939 2.189 1.00 0.00 H new ATOM 1316 N ASP B 195 -11.577 4.620 5.060 1.00 0.00 N ATOM 1317 CA ASP B 195 -11.039 3.376 5.598 1.00 0.00 C ATOM 1318 C ASP B 195 -11.495 2.195 4.746 1.00 0.00 C ATOM 1319 O ASP B 195 -12.516 2.282 4.063 1.00 0.00 O ATOM 1320 CB ASP B 195 -11.488 3.183 7.048 1.00 0.00 C ATOM 1321 CG ASP B 195 -10.544 3.841 8.036 1.00 0.00 C ATOM 1322 OD1 ASP B 195 -10.083 4.967 7.758 1.00 0.00 O ATOM 1323 OD2 ASP B 195 -10.268 3.229 9.090 1.00 0.00 O ATOM 0 H ASP B 195 -12.491 4.881 5.429 1.00 0.00 H new ATOM 0 HA ASP B 195 -9.951 3.429 5.575 1.00 0.00 H new ATOM 0 HB2 ASP B 195 -12.488 3.597 7.174 1.00 0.00 H new ATOM 0 HB3 ASP B 195 -11.554 2.117 7.267 1.00 0.00 H new ATOM 1328 N THR B 196 -10.737 1.095 4.787 1.00 0.00 N ATOM 1329 CA THR B 196 -11.064 -0.107 4.019 1.00 0.00 C ATOM 1330 C THR B 196 -12.574 -0.271 3.813 1.00 0.00 C ATOM 1331 O THR B 196 -13.049 -0.298 2.678 1.00 0.00 O ATOM 1332 CB THR B 196 -10.495 -1.337 4.723 1.00 0.00 C ATOM 1333 OG1 THR B 196 -10.268 -1.070 6.096 1.00 0.00 O ATOM 1334 CG2 THR B 196 -9.189 -1.802 4.129 1.00 0.00 C ATOM 0 H THR B 196 -9.889 1.014 5.347 1.00 0.00 H new ATOM 0 HA THR B 196 -10.613 -0.002 3.032 1.00 0.00 H new ATOM 0 HB THR B 196 -11.242 -2.120 4.593 1.00 0.00 H new ATOM 0 HG1 THR B 196 -9.905 -1.871 6.529 1.00 0.00 H new ATOM 0 HG21 THR B 196 -8.834 -2.679 4.671 1.00 0.00 H new ATOM 0 HG22 THR B 196 -9.337 -2.059 3.080 1.00 0.00 H new ATOM 0 HG23 THR B 196 -8.450 -1.005 4.206 1.00 0.00 H new ATOM 1342 N PRO B 197 -13.351 -0.381 4.907 1.00 0.00 N ATOM 1343 CA PRO B 197 -14.807 -0.540 4.822 1.00 0.00 C ATOM 1344 C PRO B 197 -15.476 0.633 4.108 1.00 0.00 C ATOM 1345 O PRO B 197 -15.871 0.519 2.948 1.00 0.00 O ATOM 1346 CB PRO B 197 -15.258 -0.612 6.287 1.00 0.00 C ATOM 1347 CG PRO B 197 -14.126 -0.047 7.077 1.00 0.00 C ATOM 1348 CD PRO B 197 -12.880 -0.361 6.301 1.00 0.00 C ATOM 0 HA PRO B 197 -15.084 -1.421 4.243 1.00 0.00 H new ATOM 0 HB2 PRO B 197 -16.172 -0.040 6.445 1.00 0.00 H new ATOM 0 HB3 PRO B 197 -15.470 -1.639 6.583 1.00 0.00 H new ATOM 0 HG2 PRO B 197 -14.242 1.029 7.210 1.00 0.00 H new ATOM 0 HG3 PRO B 197 -14.087 -0.489 8.073 1.00 0.00 H new ATOM 0 HD2 PRO B 197 -12.108 0.393 6.455 1.00 0.00 H new ATOM 0 HD3 PRO B 197 -12.452 -1.319 6.596 1.00 0.00 H new ATOM 1356 N TYR B 198 -15.601 1.759 4.805 1.00 0.00 N ATOM 1357 CA TYR B 198 -16.222 2.948 4.232 1.00 0.00 C ATOM 1358 C TYR B 198 -15.817 4.199 5.004 1.00 0.00 C ATOM 1359 O TYR B 198 -14.932 4.093 5.879 1.00 0.00 O ATOM 1360 CB TYR B 198 -17.746 2.807 4.228 1.00 0.00 C ATOM 1361 CG TYR B 198 -18.304 2.182 5.488 1.00 0.00 C ATOM 1362 CD1 TYR B 198 -18.374 0.802 5.629 1.00 0.00 C ATOM 1363 CD2 TYR B 198 -18.760 2.973 6.535 1.00 0.00 C ATOM 1364 CE1 TYR B 198 -18.883 0.227 6.778 1.00 0.00 C ATOM 1365 CE2 TYR B 198 -19.271 2.406 7.687 1.00 0.00 C ATOM 1366 CZ TYR B 198 -19.330 1.033 7.804 1.00 0.00 C ATOM 1367 OH TYR B 198 -19.838 0.465 8.949 1.00 0.00 O ATOM 0 H TYR B 198 -15.281 1.872 5.767 1.00 0.00 H new ATOM 0 HA TYR B 198 -15.873 3.048 3.204 1.00 0.00 H new ATOM 0 HB2 TYR B 198 -18.192 3.792 4.094 1.00 0.00 H new ATOM 0 HB3 TYR B 198 -18.044 2.203 3.371 1.00 0.00 H new ATOM 0 HD1 TYR B 198 -18.025 0.168 4.828 1.00 0.00 H new ATOM 0 HD2 TYR B 198 -18.714 4.048 6.447 1.00 0.00 H new ATOM 0 HE1 TYR B 198 -18.930 -0.848 6.872 1.00 0.00 H new ATOM 0 HE2 TYR B 198 -19.622 3.035 8.492 1.00 0.00 H new ATOM 0 HH TYR B 198 -20.107 1.171 9.573 1.00 0.00 H new TER 1377 TYR B 198