USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 700 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 40 THR OG1 : rot -68:sc= 0.539 USER MOD Set 1.2: A 78 SER OG : rot 174:sc= 0.73 USER MOD Set 2.1: A 49 TYR OH : rot 130:sc= 0.312 USER MOD Set 2.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 70 SER OG : rot -81:sc= 1.68 USER MOD Set 3.1: A 26 THR OG1 : rot -179:sc= -0.266 USER MOD Set 3.2: A 28 SER OG : rot 70:sc= 0.843 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= 0.922 (180deg=0.92) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 0.979 (180deg=0.732) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 179:sc= 0.913 (180deg=0.913) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -67:sc= 0.841 USER MOD Single : A 29 SER OG : rot 156:sc= 0.57 USER MOD Single : A 31 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.26) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= 0.816 K(o=0.82,f=-2.7!) USER MOD Single : A 39 ASN : amide:sc=-0.00389 K(o=-0.0039,f=0.93) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -147:sc= -0.0571 (180deg=-1.29) USER MOD Single : A 46 GLN : amide:sc= 0.873 K(o=0.87,f=-0.012) USER MOD Single : A 48 TYR OH : rot 165:sc= 0.592 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.223 K(o=-0.22,f=-0.8) USER MOD Single : A 62 ASN : amide:sc= 1.23 K(o=1.2,f=-6.5!) USER MOD Single : A 64 TYR OH : rot -177:sc= 0.565 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0041 K(o=-0.0041,f=-1.3) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.620 20.963 3.015 1.00 0.00 N ATOM 2 CA ALA A 1 -9.735 20.915 4.172 1.00 0.00 C ATOM 3 C ALA A 1 -9.224 19.499 4.415 1.00 0.00 C ATOM 4 O ALA A 1 -10.007 18.577 4.646 1.00 0.00 O ATOM 5 CB ALA A 1 -10.452 21.439 5.408 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.953 21.938 2.873 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.104 20.647 2.170 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.436 20.339 3.176 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.875 21.553 3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.779 21.397 6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.761 22.471 5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.330 20.825 5.607 1.00 0.00 H new ATOM 11 N ALA A 2 -7.907 19.332 4.360 1.00 0.00 N ATOM 12 CA ALA A 2 -7.291 18.032 4.591 1.00 0.00 C ATOM 13 C ALA A 2 -7.061 17.790 6.079 1.00 0.00 C ATOM 14 O ALA A 2 -6.232 18.452 6.705 1.00 0.00 O ATOM 15 CB ALA A 2 -5.980 17.925 3.829 1.00 0.00 C ATOM 0 H ALA A 2 -7.246 20.082 4.157 1.00 0.00 H new ATOM 0 HA ALA A 2 -7.974 17.265 4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.532 16.948 4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.169 18.044 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.298 18.706 4.166 1.00 0.00 H new ATOM 21 N VAL A 3 -7.800 16.839 6.641 1.00 0.00 N ATOM 22 CA VAL A 3 -7.698 16.532 8.064 1.00 0.00 C ATOM 23 C VAL A 3 -7.500 15.037 8.289 1.00 0.00 C ATOM 24 O VAL A 3 -8.423 14.243 8.107 1.00 0.00 O ATOM 25 CB VAL A 3 -8.947 16.998 8.835 1.00 0.00 C ATOM 26 CG1 VAL A 3 -8.820 16.655 10.311 1.00 0.00 C ATOM 27 CG2 VAL A 3 -9.157 18.494 8.652 1.00 0.00 C ATOM 0 H VAL A 3 -8.476 16.268 6.134 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.830 17.072 8.442 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.815 16.476 8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.711 16.991 10.841 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.715 15.576 10.426 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.943 17.151 10.726 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.044 18.807 9.203 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.287 19.032 9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.291 18.716 7.593 1.00 0.00 H new ATOM 37 N ARG A 4 -6.289 14.661 8.689 1.00 0.00 N ATOM 38 CA ARG A 4 -5.946 13.254 8.865 1.00 0.00 C ATOM 39 C ARG A 4 -5.988 12.514 7.532 1.00 0.00 C ATOM 40 O ARG A 4 -6.163 11.294 7.492 1.00 0.00 O ATOM 41 CB ARG A 4 -6.819 12.575 9.909 1.00 0.00 C ATOM 42 CG ARG A 4 -6.758 13.197 11.296 1.00 0.00 C ATOM 43 CD ARG A 4 -7.659 12.561 12.292 1.00 0.00 C ATOM 44 NE ARG A 4 -7.721 13.248 13.573 1.00 0.00 N ATOM 45 CZ ARG A 4 -8.483 12.859 14.613 1.00 0.00 C ATOM 46 NH1 ARG A 4 -9.276 11.815 14.518 1.00 0.00 N ATOM 47 NH2 ARG A 4 -8.430 13.569 15.726 1.00 0.00 N ATOM 0 H ARG A 4 -5.530 15.310 8.897 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.924 13.214 9.241 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.853 12.592 9.564 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.525 11.528 9.983 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.733 13.140 11.662 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.010 14.255 11.218 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.664 12.508 11.873 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.329 11.536 12.459 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.147 14.083 13.692 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.321 11.286 13.647 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.847 11.534 15.315 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.823 14.387 15.781 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.996 13.299 16.531 1.00 0.00 H new ATOM 61 N LYS A 5 -5.828 13.256 6.442 1.00 0.00 N ATOM 62 CA LYS A 5 -5.767 12.663 5.112 1.00 0.00 C ATOM 63 C LYS A 5 -4.335 12.655 4.585 1.00 0.00 C ATOM 64 O LYS A 5 -3.594 13.622 4.758 1.00 0.00 O ATOM 65 CB LYS A 5 -6.682 13.416 4.145 1.00 0.00 C ATOM 66 CG LYS A 5 -8.142 13.468 4.573 1.00 0.00 C ATOM 67 CD LYS A 5 -8.763 12.080 4.593 1.00 0.00 C ATOM 68 CE LYS A 5 -10.247 12.141 4.926 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.833 10.784 5.106 1.00 0.00 N ATOM 0 H LYS A 5 -5.738 14.272 6.454 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.111 11.632 5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.312 14.435 4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.620 12.945 3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.217 13.916 5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.700 14.109 3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.626 11.604 3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.249 11.460 5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.391 12.722 5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.777 12.662 4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.852 10.868 5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.689 10.226 4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.368 10.308 5.906 1.00 0.00 H new ATOM 83 N ILE A 6 -3.954 11.557 3.939 1.00 0.00 N ATOM 84 CA ILE A 6 -2.627 11.441 3.350 1.00 0.00 C ATOM 85 C ILE A 6 -2.694 10.809 1.963 1.00 0.00 C ATOM 86 O ILE A 6 -3.618 10.056 1.657 1.00 0.00 O ATOM 87 CB ILE A 6 -1.685 10.609 4.239 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.265 9.210 4.469 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.446 11.313 5.566 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.324 8.269 5.186 1.00 0.00 C ATOM 0 H ILE A 6 -4.546 10.736 3.811 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.230 12.453 3.266 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.728 10.506 3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.185 9.299 5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.534 8.776 3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.778 10.711 6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.993 12.287 5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.396 11.446 6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.805 7.299 5.312 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.413 8.149 4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.074 8.680 6.164 1.00 0.00 H new ATOM 102 N HIS A 7 -1.706 11.119 1.129 1.00 0.00 N ATOM 103 CA HIS A 7 -1.540 10.431 -0.146 1.00 0.00 C ATOM 104 C HIS A 7 -0.275 9.579 -0.144 1.00 0.00 C ATOM 105 O HIS A 7 0.803 10.049 0.225 1.00 0.00 O ATOM 106 CB HIS A 7 -1.495 11.435 -1.303 1.00 0.00 C ATOM 107 CG HIS A 7 -2.739 12.257 -1.434 1.00 0.00 C ATOM 108 ND1 HIS A 7 -3.827 11.847 -2.176 1.00 0.00 N ATOM 109 CD2 HIS A 7 -3.067 13.466 -0.921 1.00 0.00 C ATOM 110 CE1 HIS A 7 -4.773 12.768 -2.111 1.00 0.00 C ATOM 111 NE2 HIS A 7 -4.336 13.760 -1.356 1.00 0.00 N ATOM 0 H HIS A 7 -1.009 11.841 1.313 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.400 9.775 -0.285 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.643 12.101 -1.162 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -1.327 10.895 -2.235 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.447 14.084 -0.288 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.738 12.718 -2.593 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.857 14.608 -1.132 1.00 0.00 H new ATOM 118 N VAL A 8 -0.412 8.322 -0.554 1.00 0.00 N ATOM 119 CA VAL A 8 0.711 7.393 -0.562 1.00 0.00 C ATOM 120 C VAL A 8 1.150 7.075 -1.987 1.00 0.00 C ATOM 121 O VAL A 8 0.323 6.807 -2.859 1.00 0.00 O ATOM 122 CB VAL A 8 0.363 6.079 0.164 1.00 0.00 C ATOM 123 CG1 VAL A 8 1.549 5.126 0.134 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.059 6.358 1.597 1.00 0.00 C ATOM 0 H VAL A 8 -1.291 7.924 -0.885 1.00 0.00 H new ATOM 0 HA VAL A 8 1.529 7.882 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.472 5.608 -0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.287 4.203 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.809 4.901 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.401 5.590 0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.301 5.419 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.757 6.850 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.936 7.006 1.599 1.00 0.00 H new ATOM 134 N THR A 9 2.459 7.104 -2.218 1.00 0.00 N ATOM 135 CA THR A 9 3.006 6.888 -3.551 1.00 0.00 C ATOM 136 C THR A 9 3.199 5.402 -3.832 1.00 0.00 C ATOM 137 O THR A 9 3.958 4.723 -3.140 1.00 0.00 O ATOM 138 CB THR A 9 4.351 7.615 -3.734 1.00 0.00 C ATOM 139 OG1 THR A 9 4.163 9.025 -3.566 1.00 0.00 O ATOM 140 CG2 THR A 9 4.918 7.345 -5.119 1.00 0.00 C ATOM 0 H THR A 9 3.160 7.275 -1.498 1.00 0.00 H new ATOM 0 HA THR A 9 2.284 7.297 -4.258 1.00 0.00 H new ATOM 0 HB THR A 9 5.052 7.244 -2.986 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.020 9.485 -3.681 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.869 7.866 -5.231 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.075 6.274 -5.246 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.218 7.701 -5.875 1.00 0.00 H new ATOM 148 N VAL A 10 2.506 4.903 -4.851 1.00 0.00 N ATOM 149 CA VAL A 10 2.570 3.488 -5.197 1.00 0.00 C ATOM 150 C VAL A 10 3.559 3.243 -6.330 1.00 0.00 C ATOM 151 O VAL A 10 3.358 3.701 -7.455 1.00 0.00 O ATOM 152 CB VAL A 10 1.189 2.945 -5.608 1.00 0.00 C ATOM 153 CG1 VAL A 10 1.268 1.453 -5.896 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.161 3.222 -4.520 1.00 0.00 C ATOM 0 H VAL A 10 1.895 5.457 -5.451 1.00 0.00 H new ATOM 0 HA VAL A 10 2.907 2.960 -4.305 1.00 0.00 H new ATOM 0 HB VAL A 10 0.875 3.457 -6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.283 1.086 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.974 1.276 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.603 0.927 -5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.809 2.831 -4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.471 2.736 -3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.084 4.297 -4.357 1.00 0.00 H new ATOM 164 N LYS A 11 4.630 2.516 -6.027 1.00 0.00 N ATOM 165 CA LYS A 11 5.691 2.274 -6.996 1.00 0.00 C ATOM 166 C LYS A 11 5.674 0.825 -7.472 1.00 0.00 C ATOM 167 O LYS A 11 5.903 -0.099 -6.691 1.00 0.00 O ATOM 168 CB LYS A 11 7.056 2.617 -6.397 1.00 0.00 C ATOM 169 CG LYS A 11 7.235 4.086 -6.039 1.00 0.00 C ATOM 170 CD LYS A 11 8.641 4.363 -5.526 1.00 0.00 C ATOM 171 CE LYS A 11 8.811 5.825 -5.138 1.00 0.00 C ATOM 172 NZ LYS A 11 10.201 6.127 -4.702 1.00 0.00 N ATOM 0 H LYS A 11 4.785 2.084 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 11 5.514 2.920 -7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.207 2.016 -5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.833 2.331 -7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.037 4.703 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.506 4.369 -5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.847 3.729 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.369 4.102 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.551 6.458 -5.987 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.117 6.070 -4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.226 7.060 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.519 5.401 -4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.831 6.132 -5.529 1.00 0.00 H new ATOM 186 N PHE A 12 5.403 0.633 -8.760 1.00 0.00 N ATOM 187 CA PHE A 12 5.656 -0.647 -9.411 1.00 0.00 C ATOM 188 C PHE A 12 6.898 -0.572 -10.294 1.00 0.00 C ATOM 189 O PHE A 12 7.379 0.508 -10.642 1.00 0.00 O ATOM 190 CB PHE A 12 4.444 -1.077 -10.238 1.00 0.00 C ATOM 191 CG PHE A 12 3.253 -1.470 -9.410 1.00 0.00 C ATOM 192 CD1 PHE A 12 3.114 -2.768 -8.942 1.00 0.00 C ATOM 193 CD2 PHE A 12 2.271 -0.542 -9.097 1.00 0.00 C ATOM 194 CE1 PHE A 12 2.020 -3.132 -8.181 1.00 0.00 C ATOM 195 CE2 PHE A 12 1.176 -0.903 -8.335 1.00 0.00 C ATOM 196 CZ PHE A 12 1.050 -2.198 -7.878 1.00 0.00 C ATOM 0 H PHE A 12 5.009 1.347 -9.372 1.00 0.00 H new ATOM 0 HA PHE A 12 5.831 -1.392 -8.635 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.160 -0.260 -10.901 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.728 -1.918 -10.871 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.870 -3.503 -9.175 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.363 0.474 -9.453 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.924 -4.147 -7.823 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.419 -0.171 -8.097 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.194 -2.481 -7.284 1.00 0.00 H new ATOM 206 N PRO A 13 7.431 -1.744 -10.667 1.00 0.00 N ATOM 207 CA PRO A 13 8.632 -1.839 -11.502 1.00 0.00 C ATOM 208 C PRO A 13 8.492 -1.064 -12.807 1.00 0.00 C ATOM 209 O PRO A 13 9.466 -0.513 -13.320 1.00 0.00 O ATOM 210 CB PRO A 13 8.793 -3.342 -11.748 1.00 0.00 C ATOM 211 CG PRO A 13 8.150 -3.984 -10.566 1.00 0.00 C ATOM 212 CD PRO A 13 6.972 -3.108 -10.229 1.00 0.00 C ATOM 0 HA PRO A 13 9.504 -1.398 -11.019 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.310 -3.646 -12.677 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.844 -3.621 -11.829 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.831 -5.001 -10.796 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.844 -4.049 -9.728 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.072 -3.420 -10.758 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.741 -3.134 -9.164 1.00 0.00 H new ATOM 220 N SER A 14 7.274 -1.025 -13.339 1.00 0.00 N ATOM 221 CA SER A 14 7.037 -0.458 -14.661 1.00 0.00 C ATOM 222 C SER A 14 5.963 0.625 -14.602 1.00 0.00 C ATOM 223 O SER A 14 5.694 1.306 -15.592 1.00 0.00 O ATOM 224 CB SER A 14 6.638 -1.548 -15.636 1.00 0.00 C ATOM 225 OG SER A 14 5.439 -2.172 -15.267 1.00 0.00 O ATOM 0 H SER A 14 6.437 -1.379 -12.875 1.00 0.00 H new ATOM 0 HA SER A 14 7.963 0.001 -15.009 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.532 -1.121 -16.633 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.432 -2.293 -15.691 1.00 0.00 H new ATOM 0 HG SER A 14 5.217 -2.866 -15.922 1.00 0.00 H new ATOM 231 N LYS A 15 5.351 0.779 -13.432 1.00 0.00 N ATOM 232 CA LYS A 15 4.198 1.659 -13.281 1.00 0.00 C ATOM 233 C LYS A 15 4.257 2.411 -11.955 1.00 0.00 C ATOM 234 O LYS A 15 4.761 1.890 -10.959 1.00 0.00 O ATOM 235 CB LYS A 15 2.897 0.861 -13.378 1.00 0.00 C ATOM 236 CG LYS A 15 1.633 1.705 -13.286 1.00 0.00 C ATOM 237 CD LYS A 15 0.384 0.853 -13.458 1.00 0.00 C ATOM 238 CE LYS A 15 -0.876 1.705 -13.437 1.00 0.00 C ATOM 239 NZ LYS A 15 -2.110 0.875 -13.452 1.00 0.00 N ATOM 0 H LYS A 15 5.635 0.305 -12.574 1.00 0.00 H new ATOM 0 HA LYS A 15 4.223 2.388 -14.091 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.888 0.317 -14.323 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.881 0.117 -12.582 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.601 2.211 -12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.655 2.481 -14.052 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.441 0.308 -14.400 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.336 0.110 -12.662 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.873 2.334 -12.547 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.877 2.372 -14.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.945 1.494 -13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.135 0.305 -14.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.114 0.244 -12.625 1.00 0.00 H new ATOM 253 N GLN A 16 3.740 3.634 -11.951 1.00 0.00 N ATOM 254 CA GLN A 16 3.662 4.425 -10.727 1.00 0.00 C ATOM 255 C GLN A 16 2.348 5.198 -10.662 1.00 0.00 C ATOM 256 O GLN A 16 1.819 5.631 -11.685 1.00 0.00 O ATOM 257 CB GLN A 16 4.841 5.398 -10.640 1.00 0.00 C ATOM 258 CG GLN A 16 6.189 4.727 -10.441 1.00 0.00 C ATOM 259 CD GLN A 16 7.316 5.729 -10.275 1.00 0.00 C ATOM 260 OE1 GLN A 16 7.088 6.942 -10.251 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.540 5.227 -10.162 1.00 0.00 N ATOM 0 H GLN A 16 3.369 4.099 -12.779 1.00 0.00 H new ATOM 0 HA GLN A 16 3.705 3.739 -9.881 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.875 5.992 -11.553 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.667 6.089 -9.816 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.145 4.085 -9.562 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.401 4.084 -11.295 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.681 4.217 -10.187 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.339 5.851 -10.050 1.00 0.00 H new ATOM 270 N PHE A 17 1.827 5.366 -9.451 1.00 0.00 N ATOM 271 CA PHE A 17 0.654 6.206 -9.234 1.00 0.00 C ATOM 272 C PHE A 17 0.440 6.467 -7.746 1.00 0.00 C ATOM 273 O PHE A 17 1.034 5.804 -6.895 1.00 0.00 O ATOM 274 CB PHE A 17 -0.590 5.555 -9.840 1.00 0.00 C ATOM 275 CG PHE A 17 -0.905 4.201 -9.271 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.689 4.076 -8.133 1.00 0.00 C ATOM 277 CD2 PHE A 17 -0.417 3.049 -9.869 1.00 0.00 C ATOM 278 CE1 PHE A 17 -1.979 2.831 -7.608 1.00 0.00 C ATOM 279 CE2 PHE A 17 -0.706 1.803 -9.347 1.00 0.00 C ATOM 280 CZ PHE A 17 -1.487 1.695 -8.214 1.00 0.00 C ATOM 0 H PHE A 17 2.198 4.932 -8.606 1.00 0.00 H new ATOM 0 HA PHE A 17 0.826 7.162 -9.729 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.445 6.212 -9.683 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.452 5.463 -10.917 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.077 4.962 -7.652 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.197 3.127 -10.754 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.592 2.748 -6.722 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.321 0.914 -9.825 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.712 0.722 -7.803 1.00 0.00 H new ATOM 290 N THR A 18 -0.412 7.441 -7.438 1.00 0.00 N ATOM 291 CA THR A 18 -0.666 7.827 -6.057 1.00 0.00 C ATOM 292 C THR A 18 -2.078 7.447 -5.628 1.00 0.00 C ATOM 293 O THR A 18 -3.000 7.424 -6.446 1.00 0.00 O ATOM 294 CB THR A 18 -0.466 9.339 -5.847 1.00 0.00 C ATOM 295 OG1 THR A 18 -1.360 10.064 -6.700 1.00 0.00 O ATOM 296 CG2 THR A 18 0.967 9.737 -6.165 1.00 0.00 C ATOM 0 H THR A 18 -0.938 7.977 -8.129 1.00 0.00 H new ATOM 0 HA THR A 18 0.054 7.286 -5.443 1.00 0.00 H new ATOM 0 HB THR A 18 -0.675 9.577 -4.804 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.233 11.026 -6.564 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.090 10.809 -6.011 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.649 9.196 -5.509 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.191 9.492 -7.203 1.00 0.00 H new ATOM 304 N VAL A 19 -2.243 7.147 -4.344 1.00 0.00 N ATOM 305 CA VAL A 19 -3.553 6.814 -3.799 1.00 0.00 C ATOM 306 C VAL A 19 -3.847 7.626 -2.541 1.00 0.00 C ATOM 307 O VAL A 19 -2.930 8.086 -1.861 1.00 0.00 O ATOM 308 CB VAL A 19 -3.665 5.314 -3.470 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.529 4.479 -4.734 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.608 4.912 -2.451 1.00 0.00 C ATOM 0 H VAL A 19 -1.485 7.128 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.286 7.061 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.649 5.129 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.611 3.422 -4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.320 4.747 -5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.559 4.669 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.702 3.849 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.616 5.112 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.748 5.487 -1.535 1.00 0.00 H new ATOM 320 N GLU A 20 -5.130 7.794 -2.238 1.00 0.00 N ATOM 321 CA GLU A 20 -5.545 8.606 -1.100 1.00 0.00 C ATOM 322 C GLU A 20 -6.104 7.729 0.016 1.00 0.00 C ATOM 323 O GLU A 20 -7.047 6.965 -0.192 1.00 0.00 O ATOM 324 CB GLU A 20 -6.585 9.643 -1.530 1.00 0.00 C ATOM 325 CG GLU A 20 -7.075 10.545 -0.406 1.00 0.00 C ATOM 326 CD GLU A 20 -8.115 11.513 -0.897 1.00 0.00 C ATOM 327 OE1 GLU A 20 -8.442 11.467 -2.058 1.00 0.00 O ATOM 328 OE2 GLU A 20 -8.664 12.224 -0.090 1.00 0.00 O ATOM 0 H GLU A 20 -5.899 7.379 -2.764 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.668 9.129 -0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.157 10.264 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.441 9.124 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.492 9.936 0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.233 11.095 0.015 1.00 0.00 H new ATOM 335 N VAL A 21 -5.517 7.846 1.203 1.00 0.00 N ATOM 336 CA VAL A 21 -5.976 7.088 2.362 1.00 0.00 C ATOM 337 C VAL A 21 -6.031 7.965 3.606 1.00 0.00 C ATOM 338 O VAL A 21 -5.513 9.082 3.614 1.00 0.00 O ATOM 339 CB VAL A 21 -5.068 5.875 2.639 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.119 4.894 1.478 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.637 6.327 2.890 1.00 0.00 C ATOM 0 H VAL A 21 -4.723 8.458 1.388 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.979 6.732 2.128 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.433 5.370 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.471 4.044 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.143 4.545 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.780 5.389 0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.009 5.457 3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.263 6.856 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.612 6.992 3.753 1.00 0.00 H new ATOM 351 N ASP A 22 -6.662 7.453 4.657 1.00 0.00 N ATOM 352 CA ASP A 22 -6.758 8.178 5.919 1.00 0.00 C ATOM 353 C ASP A 22 -5.705 7.688 6.908 1.00 0.00 C ATOM 354 O ASP A 22 -5.319 6.519 6.891 1.00 0.00 O ATOM 355 CB ASP A 22 -8.158 8.028 6.521 1.00 0.00 C ATOM 356 CG ASP A 22 -8.485 9.038 7.612 1.00 0.00 C ATOM 357 OD1 ASP A 22 -7.869 8.982 8.650 1.00 0.00 O ATOM 358 OD2 ASP A 22 -9.230 9.951 7.344 1.00 0.00 O ATOM 0 H ASP A 22 -7.115 6.539 4.660 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.576 9.233 5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.895 8.122 5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.258 7.023 6.931 1.00 0.00 H new ATOM 363 N ARG A 23 -5.244 8.590 7.767 1.00 0.00 N ATOM 364 CA ARG A 23 -4.210 8.260 8.741 1.00 0.00 C ATOM 365 C ARG A 23 -4.713 7.219 9.737 1.00 0.00 C ATOM 366 O ARG A 23 -3.942 6.406 10.246 1.00 0.00 O ATOM 367 CB ARG A 23 -3.666 9.494 9.447 1.00 0.00 C ATOM 368 CG ARG A 23 -2.544 9.224 10.436 1.00 0.00 C ATOM 369 CD ARG A 23 -1.934 10.445 11.018 1.00 0.00 C ATOM 370 NE ARG A 23 -0.973 10.192 12.080 1.00 0.00 N ATOM 371 CZ ARG A 23 -0.369 11.150 12.811 1.00 0.00 C ATOM 372 NH1 ARG A 23 -0.593 12.424 12.574 1.00 0.00 N ATOM 373 NH2 ARG A 23 0.474 10.775 13.757 1.00 0.00 N ATOM 0 H ARG A 23 -5.570 9.556 7.809 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.375 7.825 8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.306 10.196 8.695 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.485 9.984 9.974 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.930 8.604 11.245 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.766 8.647 9.936 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.439 11.003 10.223 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.728 11.082 11.408 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.740 9.221 12.286 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.232 12.699 11.828 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.128 13.137 13.136 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.652 9.784 13.918 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.946 11.477 14.327 1.00 0.00 H new ATOM 387 N THR A 24 -6.014 7.253 10.012 1.00 0.00 N ATOM 388 CA THR A 24 -6.601 6.389 11.030 1.00 0.00 C ATOM 389 C THR A 24 -6.979 5.033 10.446 1.00 0.00 C ATOM 390 O THR A 24 -7.398 4.130 11.171 1.00 0.00 O ATOM 391 CB THR A 24 -7.850 7.030 11.663 1.00 0.00 C ATOM 392 OG1 THR A 24 -8.860 7.208 10.661 1.00 0.00 O ATOM 393 CG2 THR A 24 -7.505 8.378 12.275 1.00 0.00 C ATOM 0 H THR A 24 -6.680 7.868 9.545 1.00 0.00 H new ATOM 0 HA THR A 24 -5.844 6.252 11.802 1.00 0.00 H new ATOM 0 HB THR A 24 -8.220 6.370 12.448 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.561 7.877 10.010 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.399 8.816 12.718 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.747 8.244 13.046 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.121 9.042 11.500 1.00 0.00 H new ATOM 401 N GLU A 25 -6.826 4.894 9.133 1.00 0.00 N ATOM 402 CA GLU A 25 -7.124 3.636 8.458 1.00 0.00 C ATOM 403 C GLU A 25 -5.929 2.689 8.522 1.00 0.00 C ATOM 404 O GLU A 25 -4.789 3.118 8.709 1.00 0.00 O ATOM 405 CB GLU A 25 -7.521 3.889 7.002 1.00 0.00 C ATOM 406 CG GLU A 25 -8.898 4.514 6.827 1.00 0.00 C ATOM 407 CD GLU A 25 -9.117 4.960 5.407 1.00 0.00 C ATOM 408 OE1 GLU A 25 -8.169 4.988 4.660 1.00 0.00 O ATOM 409 OE2 GLU A 25 -10.250 5.166 5.039 1.00 0.00 O ATOM 0 H GLU A 25 -6.498 5.637 8.516 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.963 3.167 8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.778 4.541 6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.493 2.943 6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.666 3.793 7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.001 5.366 7.499 1.00 0.00 H new ATOM 416 N THR A 26 -6.197 1.395 8.366 1.00 0.00 N ATOM 417 CA THR A 26 -5.135 0.403 8.256 1.00 0.00 C ATOM 418 C THR A 26 -4.650 0.274 6.817 1.00 0.00 C ATOM 419 O THR A 26 -5.193 0.904 5.909 1.00 0.00 O ATOM 420 CB THR A 26 -5.599 -0.978 8.758 1.00 0.00 C ATOM 421 OG1 THR A 26 -6.545 -1.531 7.833 1.00 0.00 O ATOM 422 CG2 THR A 26 -6.247 -0.857 10.128 1.00 0.00 C ATOM 0 H THR A 26 -7.140 1.011 8.313 1.00 0.00 H new ATOM 0 HA THR A 26 -4.313 0.750 8.883 1.00 0.00 H new ATOM 0 HB THR A 26 -4.730 -1.631 8.835 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.851 -2.403 8.160 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.569 -1.842 10.467 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.527 -0.447 10.836 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.111 -0.195 10.065 1.00 0.00 H new ATOM 430 N VAL A 27 -3.624 -0.547 6.615 1.00 0.00 N ATOM 431 CA VAL A 27 -3.108 -0.810 5.277 1.00 0.00 C ATOM 432 C VAL A 27 -4.141 -1.538 4.423 1.00 0.00 C ATOM 433 O VAL A 27 -4.014 -1.604 3.200 1.00 0.00 O ATOM 434 CB VAL A 27 -1.814 -1.645 5.325 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.683 -0.837 5.944 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.038 -2.930 6.106 1.00 0.00 C ATOM 0 H VAL A 27 -3.134 -1.041 7.361 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.887 0.158 4.828 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.534 -1.906 4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.224 -1.441 5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.506 0.057 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.956 -0.547 6.959 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.114 -3.507 6.130 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.341 -2.688 7.125 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.820 -3.517 5.624 1.00 0.00 H new ATOM 446 N SER A 28 -5.163 -2.081 5.076 1.00 0.00 N ATOM 447 CA SER A 28 -6.257 -2.739 4.371 1.00 0.00 C ATOM 448 C SER A 28 -6.882 -1.802 3.342 1.00 0.00 C ATOM 449 O SER A 28 -7.137 -2.195 2.203 1.00 0.00 O ATOM 450 CB SER A 28 -7.304 -3.218 5.358 1.00 0.00 C ATOM 451 OG SER A 28 -6.796 -4.182 6.239 1.00 0.00 O ATOM 0 H SER A 28 -5.257 -2.078 6.092 1.00 0.00 H new ATOM 0 HA SER A 28 -5.854 -3.602 3.841 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.680 -2.368 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.151 -3.636 4.813 1.00 0.00 H new ATOM 0 HG SER A 28 -6.164 -3.759 6.857 1.00 0.00 H new ATOM 457 N SER A 29 -7.125 -0.562 3.751 1.00 0.00 N ATOM 458 CA SER A 29 -7.699 0.439 2.859 1.00 0.00 C ATOM 459 C SER A 29 -6.682 0.874 1.807 1.00 0.00 C ATOM 460 O SER A 29 -7.040 1.172 0.666 1.00 0.00 O ATOM 461 CB SER A 29 -8.183 1.635 3.655 1.00 0.00 C ATOM 462 OG SER A 29 -7.121 2.380 4.184 1.00 0.00 O ATOM 0 H SER A 29 -6.933 -0.226 4.695 1.00 0.00 H new ATOM 0 HA SER A 29 -8.550 -0.007 2.345 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.790 2.275 3.015 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.826 1.294 4.467 1.00 0.00 H new ATOM 0 HG SER A 29 -7.413 3.303 4.338 1.00 0.00 H new ATOM 468 N LEU A 30 -5.412 0.906 2.197 1.00 0.00 N ATOM 469 CA LEU A 30 -4.332 1.197 1.261 1.00 0.00 C ATOM 470 C LEU A 30 -4.231 0.112 0.193 1.00 0.00 C ATOM 471 O LEU A 30 -4.032 0.405 -0.986 1.00 0.00 O ATOM 472 CB LEU A 30 -3.001 1.336 2.012 1.00 0.00 C ATOM 473 CG LEU A 30 -1.785 1.650 1.131 1.00 0.00 C ATOM 474 CD1 LEU A 30 -1.997 2.968 0.399 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.534 1.707 1.994 1.00 0.00 C ATOM 0 H LEU A 30 -5.105 0.734 3.155 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.554 2.141 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.103 2.125 2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.809 0.409 2.553 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.662 0.863 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.128 3.182 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.885 2.897 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.130 3.770 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.330 1.930 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.647 2.486 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.387 0.745 2.486 1.00 0.00 H new ATOM 487 N LYS A 31 -4.372 -1.140 0.614 1.00 0.00 N ATOM 488 CA LYS A 31 -4.316 -2.267 -0.309 1.00 0.00 C ATOM 489 C LYS A 31 -5.563 -2.316 -1.185 1.00 0.00 C ATOM 490 O LYS A 31 -5.499 -2.707 -2.350 1.00 0.00 O ATOM 491 CB LYS A 31 -4.156 -3.581 0.458 1.00 0.00 C ATOM 492 CG LYS A 31 -2.815 -3.738 1.164 1.00 0.00 C ATOM 493 CD LYS A 31 -2.760 -5.031 1.964 1.00 0.00 C ATOM 494 CE LYS A 31 -1.487 -5.116 2.793 1.00 0.00 C ATOM 495 NZ LYS A 31 -1.356 -6.430 3.479 1.00 0.00 N ATOM 0 H LYS A 31 -4.526 -1.400 1.588 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.449 -2.131 -0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.953 -3.655 1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.287 -4.411 -0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.011 -3.729 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.650 -2.890 1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.628 -5.092 2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.812 -5.883 1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.623 -4.956 2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.483 -4.318 3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.484 -6.440 4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.176 -6.580 4.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.316 -7.190 2.770 1.00 0.00 H new ATOM 509 N ASP A 32 -6.696 -1.916 -0.617 1.00 0.00 N ATOM 510 CA ASP A 32 -7.931 -1.790 -1.381 1.00 0.00 C ATOM 511 C ASP A 32 -7.748 -0.834 -2.557 1.00 0.00 C ATOM 512 O ASP A 32 -8.149 -1.132 -3.682 1.00 0.00 O ATOM 513 CB ASP A 32 -9.073 -1.310 -0.482 1.00 0.00 C ATOM 514 CG ASP A 32 -9.609 -2.367 0.472 1.00 0.00 C ATOM 515 OD1 ASP A 32 -9.283 -3.518 0.298 1.00 0.00 O ATOM 516 OD2 ASP A 32 -10.208 -2.002 1.456 1.00 0.00 O ATOM 0 H ASP A 32 -6.784 -1.674 0.370 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.186 -2.774 -1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.727 -0.455 0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.891 -0.958 -1.111 1.00 0.00 H new ATOM 521 N LYS A 33 -7.138 0.315 -2.288 1.00 0.00 N ATOM 522 CA LYS A 33 -6.922 1.325 -3.316 1.00 0.00 C ATOM 523 C LYS A 33 -6.003 0.796 -4.415 1.00 0.00 C ATOM 524 O LYS A 33 -6.247 1.022 -5.600 1.00 0.00 O ATOM 525 CB LYS A 33 -6.334 2.598 -2.705 1.00 0.00 C ATOM 526 CG LYS A 33 -7.309 3.390 -1.845 1.00 0.00 C ATOM 527 CD LYS A 33 -8.450 3.955 -2.678 1.00 0.00 C ATOM 528 CE LYS A 33 -9.406 4.776 -1.824 1.00 0.00 C ATOM 529 NZ LYS A 33 -10.549 5.302 -2.618 1.00 0.00 N ATOM 0 H LYS A 33 -6.784 0.570 -1.366 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.888 1.564 -3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.469 2.330 -2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.973 3.240 -3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.711 2.747 -1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.781 4.204 -1.349 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.046 4.578 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.994 3.139 -3.154 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.784 4.160 -1.008 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.865 5.607 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.176 5.855 -1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.191 5.911 -3.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.081 4.508 -3.029 1.00 0.00 H new ATOM 543 N ILE A 34 -4.951 0.092 -4.011 1.00 0.00 N ATOM 544 CA ILE A 34 -4.067 -0.568 -4.962 1.00 0.00 C ATOM 545 C ILE A 34 -4.816 -1.619 -5.773 1.00 0.00 C ATOM 546 O ILE A 34 -4.600 -1.760 -6.978 1.00 0.00 O ATOM 547 CB ILE A 34 -2.873 -1.235 -4.253 1.00 0.00 C ATOM 548 CG1 ILE A 34 -1.965 -0.174 -3.626 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.090 -2.100 -5.228 1.00 0.00 C ATOM 550 CD1 ILE A 34 -0.955 -0.734 -2.650 1.00 0.00 C ATOM 0 H ILE A 34 -4.691 -0.036 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.694 0.205 -5.633 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.256 -1.875 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.436 0.353 -4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.583 0.562 -3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.250 -2.563 -4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.741 -2.876 -5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.716 -1.481 -6.044 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.349 0.078 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.476 -1.236 -1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.311 -1.448 -3.163 1.00 0.00 H new ATOM 562 N HIS A 35 -5.701 -2.354 -5.107 1.00 0.00 N ATOM 563 CA HIS A 35 -6.477 -3.399 -5.765 1.00 0.00 C ATOM 564 C HIS A 35 -7.451 -2.797 -6.773 1.00 0.00 C ATOM 565 O HIS A 35 -7.701 -3.375 -7.831 1.00 0.00 O ATOM 566 CB HIS A 35 -7.239 -4.240 -4.735 1.00 0.00 C ATOM 567 CG HIS A 35 -8.137 -5.270 -5.347 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.656 -6.330 -6.086 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.483 -5.402 -5.328 1.00 0.00 C ATOM 570 CE1 HIS A 35 -8.671 -7.072 -6.496 1.00 0.00 C ATOM 571 NE2 HIS A 35 -9.790 -6.530 -6.050 1.00 0.00 N ATOM 0 H HIS A 35 -5.899 -2.245 -4.112 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.781 -4.047 -6.298 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.521 -4.738 -4.082 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.835 -3.578 -4.107 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.672 -6.513 -6.285 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.185 -4.744 -4.837 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.598 -7.969 -7.094 1.00 0.00 H new ATOM 578 N ILE A 36 -8.001 -1.633 -6.438 1.00 0.00 N ATOM 579 CA ILE A 36 -8.932 -0.945 -7.322 1.00 0.00 C ATOM 580 C ILE A 36 -8.242 -0.506 -8.610 1.00 0.00 C ATOM 581 O ILE A 36 -8.789 -0.659 -9.702 1.00 0.00 O ATOM 582 CB ILE A 36 -9.557 0.284 -6.638 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.506 -0.153 -5.520 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.289 1.144 -7.656 1.00 0.00 C ATOM 585 CD1 ILE A 36 -10.912 0.968 -4.590 1.00 0.00 C ATOM 0 H ILE A 36 -7.817 -1.148 -5.560 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.724 -1.655 -7.561 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.758 0.880 -6.197 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.402 -0.585 -5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.028 -0.940 -4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.725 2.009 -7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.587 1.482 -8.419 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.080 0.559 -8.125 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.584 0.580 -3.825 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.024 1.386 -4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.420 1.747 -5.159 1.00 0.00 H new ATOM 597 N VAL A 37 -7.039 0.040 -8.474 1.00 0.00 N ATOM 598 CA VAL A 37 -6.284 0.527 -9.624 1.00 0.00 C ATOM 599 C VAL A 37 -5.728 -0.630 -10.447 1.00 0.00 C ATOM 600 O VAL A 37 -5.730 -0.586 -11.676 1.00 0.00 O ATOM 601 CB VAL A 37 -5.123 1.438 -9.188 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.257 1.809 -10.383 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.653 2.685 -8.497 1.00 0.00 C ATOM 0 H VAL A 37 -6.565 0.157 -7.579 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.977 1.104 -10.236 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.504 0.891 -8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.441 2.453 -10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.847 0.904 -10.830 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.862 2.336 -11.121 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.818 3.317 -8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.296 3.236 -9.184 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.226 2.397 -7.616 1.00 0.00 H new ATOM 613 N GLU A 38 -5.254 -1.663 -9.758 1.00 0.00 N ATOM 614 CA GLU A 38 -4.600 -2.785 -10.420 1.00 0.00 C ATOM 615 C GLU A 38 -5.590 -3.916 -10.684 1.00 0.00 C ATOM 616 O GLU A 38 -6.774 -3.805 -10.364 1.00 0.00 O ATOM 617 CB GLU A 38 -3.427 -3.294 -9.580 1.00 0.00 C ATOM 618 CG GLU A 38 -2.307 -2.282 -9.384 1.00 0.00 C ATOM 619 CD GLU A 38 -1.718 -1.859 -10.701 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.249 -2.708 -11.421 1.00 0.00 O ATOM 621 OE2 GLU A 38 -1.837 -0.704 -11.039 1.00 0.00 O ATOM 0 H GLU A 38 -5.311 -1.746 -8.743 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.218 -2.434 -11.379 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.801 -3.597 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.016 -4.185 -10.055 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.691 -1.408 -8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.528 -2.715 -8.757 1.00 0.00 H new ATOM 628 N ASN A 39 -5.097 -5.003 -11.267 1.00 0.00 N ATOM 629 CA ASN A 39 -5.944 -6.142 -11.601 1.00 0.00 C ATOM 630 C ASN A 39 -5.519 -7.382 -10.820 1.00 0.00 C ATOM 631 O ASN A 39 -5.822 -8.511 -11.211 1.00 0.00 O ATOM 632 CB ASN A 39 -5.934 -6.428 -13.090 1.00 0.00 C ATOM 633 CG ASN A 39 -6.430 -5.284 -13.930 1.00 0.00 C ATOM 634 OD1 ASN A 39 -7.617 -4.940 -13.907 1.00 0.00 O ATOM 635 ND2 ASN A 39 -5.545 -4.746 -14.730 1.00 0.00 N ATOM 0 H ASN A 39 -4.115 -5.119 -11.518 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.964 -5.883 -11.317 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.918 -6.678 -13.396 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.551 -7.305 -13.286 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.823 -4.006 -15.374 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.577 -5.067 -14.709 1.00 0.00 H new ATOM 642 N THR A 40 -4.817 -7.166 -9.711 1.00 0.00 N ATOM 643 CA THR A 40 -4.290 -8.266 -8.913 1.00 0.00 C ATOM 644 C THR A 40 -4.977 -8.335 -7.554 1.00 0.00 C ATOM 645 O THR A 40 -5.077 -7.344 -6.832 1.00 0.00 O ATOM 646 CB THR A 40 -2.770 -8.135 -8.704 1.00 0.00 C ATOM 647 OG1 THR A 40 -2.106 -8.168 -9.974 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.252 -9.270 -7.834 1.00 0.00 C ATOM 0 H THR A 40 -4.601 -6.239 -9.345 1.00 0.00 H new ATOM 0 HA THR A 40 -4.492 -9.183 -9.467 1.00 0.00 H new ATOM 0 HB THR A 40 -2.567 -7.187 -8.205 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.195 -9.062 -10.366 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.176 -9.161 -7.697 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.747 -9.239 -6.863 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.462 -10.224 -8.318 1.00 0.00 H new ATOM 656 N PRO A 41 -5.459 -9.534 -7.195 1.00 0.00 N ATOM 657 CA PRO A 41 -6.099 -9.774 -5.898 1.00 0.00 C ATOM 658 C PRO A 41 -5.226 -9.331 -4.729 1.00 0.00 C ATOM 659 O PRO A 41 -4.001 -9.455 -4.777 1.00 0.00 O ATOM 660 CB PRO A 41 -6.345 -11.286 -5.882 1.00 0.00 C ATOM 661 CG PRO A 41 -6.443 -11.662 -7.321 1.00 0.00 C ATOM 662 CD PRO A 41 -5.458 -10.773 -8.034 1.00 0.00 C ATOM 0 HA PRO A 41 -7.017 -9.198 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.531 -11.816 -5.388 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.260 -11.534 -5.344 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.202 -12.714 -7.469 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.454 -11.511 -7.699 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.468 -11.226 -8.085 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.767 -10.567 -9.059 1.00 0.00 H new ATOM 670 N ILE A 42 -5.862 -8.815 -3.684 1.00 0.00 N ATOM 671 CA ILE A 42 -5.140 -8.336 -2.511 1.00 0.00 C ATOM 672 C ILE A 42 -4.345 -9.461 -1.858 1.00 0.00 C ATOM 673 O ILE A 42 -3.240 -9.248 -1.359 1.00 0.00 O ATOM 674 CB ILE A 42 -6.097 -7.723 -1.471 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.711 -6.428 -2.010 1.00 0.00 C ATOM 676 CG2 ILE A 42 -5.365 -7.466 -0.163 1.00 0.00 C ATOM 677 CD1 ILE A 42 -7.854 -5.901 -1.172 1.00 0.00 C ATOM 0 H ILE A 42 -6.876 -8.717 -3.625 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.453 -7.564 -2.857 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.903 -8.431 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.934 -5.666 -2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.067 -6.600 -3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.055 -7.033 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.974 -8.406 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.541 -6.774 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.237 -4.982 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.650 -6.645 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.500 -5.695 -0.162 1.00 0.00 H new ATOM 689 N LYS A 43 -4.915 -10.661 -1.865 1.00 0.00 N ATOM 690 CA LYS A 43 -4.276 -11.815 -1.242 1.00 0.00 C ATOM 691 C LYS A 43 -3.005 -12.205 -1.991 1.00 0.00 C ATOM 692 O LYS A 43 -2.128 -12.870 -1.441 1.00 0.00 O ATOM 693 CB LYS A 43 -5.241 -13.000 -1.189 1.00 0.00 C ATOM 694 CG LYS A 43 -6.413 -12.814 -0.235 1.00 0.00 C ATOM 695 CD LYS A 43 -7.339 -14.021 -0.252 1.00 0.00 C ATOM 696 CE LYS A 43 -8.494 -13.848 0.722 1.00 0.00 C ATOM 697 NZ LYS A 43 -9.420 -15.012 0.700 1.00 0.00 N ATOM 0 H LYS A 43 -5.818 -10.860 -2.295 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.004 -11.539 -0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.629 -13.182 -2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.687 -13.891 -0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.039 -12.654 0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.972 -11.921 -0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.729 -14.168 -1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.775 -14.918 0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.101 -13.716 1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.045 -12.941 0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.193 -14.854 1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.815 -15.123 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.900 -15.874 0.962 1.00 0.00 H new ATOM 711 N ARG A 44 -2.912 -11.783 -3.248 1.00 0.00 N ATOM 712 CA ARG A 44 -1.762 -12.111 -4.080 1.00 0.00 C ATOM 713 C ARG A 44 -0.784 -10.941 -4.141 1.00 0.00 C ATOM 714 O ARG A 44 0.431 -11.135 -4.149 1.00 0.00 O ATOM 715 CB ARG A 44 -2.170 -12.573 -5.471 1.00 0.00 C ATOM 716 CG ARG A 44 -3.058 -13.806 -5.500 1.00 0.00 C ATOM 717 CD ARG A 44 -2.390 -15.052 -5.043 1.00 0.00 C ATOM 718 NE ARG A 44 -3.247 -16.227 -5.033 1.00 0.00 N ATOM 719 CZ ARG A 44 -2.862 -17.451 -4.623 1.00 0.00 C ATOM 720 NH1 ARG A 44 -1.630 -17.676 -4.225 1.00 0.00 N ATOM 721 NH2 ARG A 44 -3.752 -18.428 -4.653 1.00 0.00 N ATOM 0 H ARG A 44 -3.620 -11.213 -3.712 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.252 -12.953 -3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.690 -11.756 -5.971 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.269 -12.778 -6.049 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.931 -13.625 -4.873 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.421 -13.954 -6.517 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.534 -15.248 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.001 -14.893 -4.037 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.207 -16.116 -5.359 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.948 -16.917 -4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.356 -18.609 -3.918 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.700 -18.244 -4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.490 -19.366 -4.349 1.00 0.00 H new ATOM 735 N MET A 45 -1.324 -9.727 -4.187 1.00 0.00 N ATOM 736 CA MET A 45 -0.499 -8.527 -4.261 1.00 0.00 C ATOM 737 C MET A 45 0.322 -8.350 -2.988 1.00 0.00 C ATOM 738 O MET A 45 -0.200 -8.478 -1.880 1.00 0.00 O ATOM 739 CB MET A 45 -1.372 -7.298 -4.504 1.00 0.00 C ATOM 740 CG MET A 45 -0.611 -5.980 -4.537 1.00 0.00 C ATOM 741 SD MET A 45 -0.378 -5.270 -2.894 1.00 0.00 S ATOM 742 CE MET A 45 -2.045 -4.733 -2.520 1.00 0.00 C ATOM 0 H MET A 45 -2.328 -9.549 -4.174 1.00 0.00 H new ATOM 0 HA MET A 45 0.191 -8.640 -5.097 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.898 -7.423 -5.450 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.130 -7.246 -3.722 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.362 -6.139 -5.001 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.151 -5.269 -5.163 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.008 -3.830 -1.911 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.576 -4.523 -3.448 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.566 -5.519 -1.973 1.00 0.00 H new ATOM 752 N GLN A 46 1.607 -8.056 -3.153 1.00 0.00 N ATOM 753 CA GLN A 46 2.499 -7.864 -2.017 1.00 0.00 C ATOM 754 C GLN A 46 2.827 -6.387 -1.826 1.00 0.00 C ATOM 755 O GLN A 46 3.091 -5.668 -2.791 1.00 0.00 O ATOM 756 CB GLN A 46 3.793 -8.661 -2.206 1.00 0.00 C ATOM 757 CG GLN A 46 3.577 -10.134 -2.510 1.00 0.00 C ATOM 758 CD GLN A 46 2.913 -10.871 -1.363 1.00 0.00 C ATOM 759 OE1 GLN A 46 3.405 -10.856 -0.230 1.00 0.00 O ATOM 760 NE2 GLN A 46 1.793 -11.523 -1.649 1.00 0.00 N ATOM 0 H GLN A 46 2.054 -7.946 -4.063 1.00 0.00 H new ATOM 0 HA GLN A 46 1.986 -8.226 -1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.367 -8.214 -3.018 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.397 -8.572 -1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.962 -10.231 -3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.537 -10.601 -2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.423 -11.508 -2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.303 -12.039 -0.919 1.00 0.00 H new ATOM 769 N LEU A 47 2.809 -5.939 -0.575 1.00 0.00 N ATOM 770 CA LEU A 47 2.910 -4.517 -0.271 1.00 0.00 C ATOM 771 C LEU A 47 4.051 -4.248 0.705 1.00 0.00 C ATOM 772 O LEU A 47 3.996 -4.654 1.866 1.00 0.00 O ATOM 773 CB LEU A 47 1.584 -4.000 0.302 1.00 0.00 C ATOM 774 CG LEU A 47 1.621 -2.565 0.843 1.00 0.00 C ATOM 775 CD1 LEU A 47 2.040 -1.602 -0.260 1.00 0.00 C ATOM 776 CD2 LEU A 47 0.251 -2.192 1.391 1.00 0.00 C ATOM 0 H LEU A 47 2.725 -6.541 0.244 1.00 0.00 H new ATOM 0 HA LEU A 47 3.124 -3.985 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.823 -4.058 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.270 -4.666 1.105 1.00 0.00 H new ATOM 0 HG LEU A 47 2.351 -2.500 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.063 -0.586 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.031 -1.873 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.326 -1.657 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.278 -1.172 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.490 -2.260 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.017 -2.876 2.196 1.00 0.00 H new ATOM 788 N TYR A 48 5.083 -3.562 0.227 1.00 0.00 N ATOM 789 CA TYR A 48 6.227 -3.219 1.062 1.00 0.00 C ATOM 790 C TYR A 48 6.331 -1.708 1.252 1.00 0.00 C ATOM 791 O TYR A 48 6.125 -0.939 0.313 1.00 0.00 O ATOM 792 CB TYR A 48 7.521 -3.764 0.453 1.00 0.00 C ATOM 793 CG TYR A 48 8.776 -3.285 1.148 1.00 0.00 C ATOM 794 CD1 TYR A 48 9.205 -3.874 2.328 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.530 -2.248 0.619 1.00 0.00 C ATOM 796 CE1 TYR A 48 10.351 -3.441 2.967 1.00 0.00 C ATOM 797 CE2 TYR A 48 10.677 -1.807 1.249 1.00 0.00 C ATOM 798 CZ TYR A 48 11.084 -2.406 2.424 1.00 0.00 C ATOM 799 OH TYR A 48 12.227 -1.971 3.055 1.00 0.00 O ATOM 0 H TYR A 48 5.150 -3.232 -0.736 1.00 0.00 H new ATOM 0 HA TYR A 48 6.079 -3.679 2.039 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.494 -4.853 0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.566 -3.475 -0.597 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.634 -4.685 2.755 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.215 -1.778 -0.301 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.671 -3.910 3.886 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.253 -0.998 0.825 1.00 0.00 H new ATOM 0 HH TYR A 48 12.749 -1.416 2.439 1.00 0.00 H new ATOM 809 N TYR A 49 6.651 -1.291 2.471 1.00 0.00 N ATOM 810 CA TYR A 49 6.898 0.118 2.757 1.00 0.00 C ATOM 811 C TYR A 49 8.346 0.340 3.183 1.00 0.00 C ATOM 812 O TYR A 49 8.894 -0.423 3.980 1.00 0.00 O ATOM 813 CB TYR A 49 5.944 0.619 3.844 1.00 0.00 C ATOM 814 CG TYR A 49 6.282 1.997 4.367 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.269 3.101 3.526 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.609 2.192 5.700 1.00 0.00 C ATOM 817 CE1 TYR A 49 6.577 4.363 3.998 1.00 0.00 C ATOM 818 CE2 TYR A 49 6.918 3.449 6.183 1.00 0.00 C ATOM 819 CZ TYR A 49 6.900 4.532 5.328 1.00 0.00 C ATOM 820 OH TYR A 49 7.207 5.786 5.805 1.00 0.00 O ATOM 0 H TYR A 49 6.746 -1.908 3.278 1.00 0.00 H new ATOM 0 HA TYR A 49 6.718 0.685 1.844 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.929 0.631 3.446 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.952 -0.087 4.675 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.014 2.972 2.485 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.622 1.347 6.372 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.565 5.211 3.330 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.172 3.583 7.224 1.00 0.00 H new ATOM 0 HH TYR A 49 6.681 5.967 6.612 1.00 0.00 H new ATOM 830 N SER A 50 8.959 1.390 2.647 1.00 0.00 N ATOM 831 CA SER A 50 10.297 1.792 3.070 1.00 0.00 C ATOM 832 C SER A 50 10.574 1.338 4.500 1.00 0.00 C ATOM 833 O SER A 50 10.101 1.948 5.458 1.00 0.00 O ATOM 834 CB SER A 50 10.454 3.295 2.949 1.00 0.00 C ATOM 835 OG SER A 50 11.727 3.725 3.348 1.00 0.00 O ATOM 0 H SER A 50 8.552 1.978 1.920 1.00 0.00 H new ATOM 0 HA SER A 50 11.024 1.310 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.277 3.596 1.916 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.697 3.789 3.559 1.00 0.00 H new ATOM 0 HG SER A 50 11.788 4.699 3.254 1.00 0.00 H new ATOM 841 N GLY A 51 11.345 0.264 4.635 1.00 0.00 N ATOM 842 CA GLY A 51 11.665 -0.258 5.950 1.00 0.00 C ATOM 843 C GLY A 51 10.790 -1.435 6.336 1.00 0.00 C ATOM 844 O GLY A 51 11.228 -2.584 6.287 1.00 0.00 O ATOM 0 H GLY A 51 11.754 -0.254 3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.711 -0.564 5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.550 0.534 6.690 1.00 0.00 H new ATOM 848 N ILE A 52 9.551 -1.147 6.721 1.00 0.00 N ATOM 849 CA ILE A 52 8.643 -2.179 7.207 1.00 0.00 C ATOM 850 C ILE A 52 7.733 -2.682 6.091 1.00 0.00 C ATOM 851 O ILE A 52 7.098 -1.893 5.393 1.00 0.00 O ATOM 852 CB ILE A 52 7.779 -1.666 8.373 1.00 0.00 C ATOM 853 CG1 ILE A 52 8.663 -1.258 9.554 1.00 0.00 C ATOM 854 CG2 ILE A 52 6.775 -2.727 8.798 1.00 0.00 C ATOM 855 CD1 ILE A 52 7.920 -0.522 10.648 1.00 0.00 C ATOM 0 H ILE A 52 9.153 -0.208 6.706 1.00 0.00 H new ATOM 0 HA ILE A 52 9.262 -3.002 7.563 1.00 0.00 H new ATOM 0 HB ILE A 52 7.229 -0.788 8.036 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.123 -2.151 9.977 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.472 -0.626 9.189 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.172 -2.348 9.623 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.126 -2.971 7.957 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.306 -3.623 9.119 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.613 -0.266 11.450 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.483 0.390 10.241 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.128 -1.159 11.042 1.00 0.00 H new ATOM 867 N GLU A 53 7.676 -4.001 5.932 1.00 0.00 N ATOM 868 CA GLU A 53 6.705 -4.620 5.037 1.00 0.00 C ATOM 869 C GLU A 53 5.306 -4.589 5.646 1.00 0.00 C ATOM 870 O GLU A 53 5.122 -4.899 6.824 1.00 0.00 O ATOM 871 CB GLU A 53 7.110 -6.061 4.717 1.00 0.00 C ATOM 872 CG GLU A 53 6.199 -6.764 3.723 1.00 0.00 C ATOM 873 CD GLU A 53 6.668 -8.166 3.449 1.00 0.00 C ATOM 874 OE1 GLU A 53 7.644 -8.570 4.033 1.00 0.00 O ATOM 875 OE2 GLU A 53 5.988 -8.872 2.741 1.00 0.00 O ATOM 0 H GLU A 53 8.290 -4.660 6.411 1.00 0.00 H new ATOM 0 HA GLU A 53 6.689 -4.047 4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.126 -6.061 4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.128 -6.635 5.644 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.182 -6.788 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.170 -6.199 2.791 1.00 0.00 H new ATOM 882 N LEU A 54 4.323 -4.211 4.836 1.00 0.00 N ATOM 883 CA LEU A 54 2.984 -3.924 5.340 1.00 0.00 C ATOM 884 C LEU A 54 2.118 -5.179 5.333 1.00 0.00 C ATOM 885 O LEU A 54 1.154 -5.276 4.574 1.00 0.00 O ATOM 886 CB LEU A 54 2.329 -2.816 4.505 1.00 0.00 C ATOM 887 CG LEU A 54 3.114 -1.499 4.437 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.326 -0.463 3.647 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.396 -1.002 5.847 1.00 0.00 C ATOM 0 H LEU A 54 4.428 -4.096 3.828 1.00 0.00 H new ATOM 0 HA LEU A 54 3.073 -3.581 6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.183 -3.186 3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.340 -2.610 4.915 1.00 0.00 H new ATOM 0 HG LEU A 54 4.063 -1.667 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.891 0.468 3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.154 -0.830 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.368 -0.284 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.954 -0.067 5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.454 -0.836 6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.983 -1.747 6.385 1.00 0.00 H new ATOM 901 N ALA A 55 2.467 -6.137 6.184 1.00 0.00 N ATOM 902 CA ALA A 55 1.925 -7.487 6.078 1.00 0.00 C ATOM 903 C ALA A 55 0.740 -7.678 7.018 1.00 0.00 C ATOM 904 O ALA A 55 -0.067 -8.590 6.838 1.00 0.00 O ATOM 905 CB ALA A 55 3.007 -8.514 6.377 1.00 0.00 C ATOM 0 H ALA A 55 3.122 -6.004 6.954 1.00 0.00 H new ATOM 0 HA ALA A 55 1.573 -7.631 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.589 -9.517 6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.823 -8.401 5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.385 -8.360 7.388 1.00 0.00 H new ATOM 911 N ASP A 56 0.640 -6.811 8.021 1.00 0.00 N ATOM 912 CA ASP A 56 -0.416 -6.918 9.021 1.00 0.00 C ATOM 913 C ASP A 56 -1.609 -6.042 8.648 1.00 0.00 C ATOM 914 O ASP A 56 -1.531 -4.815 8.702 1.00 0.00 O ATOM 915 CB ASP A 56 0.113 -6.529 10.404 1.00 0.00 C ATOM 916 CG ASP A 56 -0.907 -6.656 11.526 1.00 0.00 C ATOM 917 OD1 ASP A 56 -2.055 -6.898 11.234 1.00 0.00 O ATOM 918 OD2 ASP A 56 -0.509 -6.670 12.666 1.00 0.00 O ATOM 0 H ASP A 56 1.277 -6.027 8.162 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.748 -7.956 9.052 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.974 -7.155 10.639 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.468 -5.499 10.367 1.00 0.00 H new ATOM 923 N ASP A 57 -2.708 -6.682 8.268 1.00 0.00 N ATOM 924 CA ASP A 57 -3.839 -5.975 7.674 1.00 0.00 C ATOM 925 C ASP A 57 -4.493 -5.047 8.694 1.00 0.00 C ATOM 926 O ASP A 57 -5.014 -3.990 8.339 1.00 0.00 O ATOM 927 CB ASP A 57 -4.867 -6.967 7.126 1.00 0.00 C ATOM 928 CG ASP A 57 -4.432 -7.686 5.856 1.00 0.00 C ATOM 929 OD1 ASP A 57 -3.458 -7.277 5.268 1.00 0.00 O ATOM 930 OD2 ASP A 57 -4.976 -8.726 5.570 1.00 0.00 O ATOM 0 H ASP A 57 -2.841 -7.689 8.360 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.464 -5.371 6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.082 -7.710 7.894 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.797 -6.435 6.927 1.00 0.00 H new ATOM 935 N TYR A 58 -4.463 -5.451 9.958 1.00 0.00 N ATOM 936 CA TYR A 58 -5.217 -4.762 11.000 1.00 0.00 C ATOM 937 C TYR A 58 -4.354 -3.712 11.691 1.00 0.00 C ATOM 938 O TYR A 58 -4.841 -2.931 12.509 1.00 0.00 O ATOM 939 CB TYR A 58 -5.753 -5.762 12.026 1.00 0.00 C ATOM 940 CG TYR A 58 -6.759 -6.740 11.460 1.00 0.00 C ATOM 941 CD1 TYR A 58 -8.093 -6.385 11.319 1.00 0.00 C ATOM 942 CD2 TYR A 58 -6.374 -8.015 11.072 1.00 0.00 C ATOM 943 CE1 TYR A 58 -9.016 -7.274 10.804 1.00 0.00 C ATOM 944 CE2 TYR A 58 -7.289 -8.912 10.556 1.00 0.00 C ATOM 945 CZ TYR A 58 -8.611 -8.537 10.423 1.00 0.00 C ATOM 946 OH TYR A 58 -9.528 -9.426 9.911 1.00 0.00 O ATOM 0 H TYR A 58 -3.925 -6.252 10.287 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.061 -4.258 10.528 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.916 -6.319 12.447 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.216 -5.213 12.846 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.415 -5.398 11.617 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.341 -8.312 11.175 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.051 -6.982 10.700 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.972 -9.901 10.258 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.079 -10.269 9.692 1.00 0.00 H new ATOM 956 N ARG A 59 -3.067 -3.697 11.356 1.00 0.00 N ATOM 957 CA ARG A 59 -2.159 -2.672 11.854 1.00 0.00 C ATOM 958 C ARG A 59 -2.363 -1.356 11.110 1.00 0.00 C ATOM 959 O ARG A 59 -2.447 -1.331 9.883 1.00 0.00 O ATOM 960 CB ARG A 59 -0.706 -3.119 11.811 1.00 0.00 C ATOM 961 CG ARG A 59 0.286 -2.128 12.397 1.00 0.00 C ATOM 962 CD ARG A 59 1.672 -2.649 12.523 1.00 0.00 C ATOM 963 NE ARG A 59 2.651 -1.663 12.949 1.00 0.00 N ATOM 964 CZ ARG A 59 3.954 -1.924 13.171 1.00 0.00 C ATOM 965 NH1 ARG A 59 4.431 -3.143 13.046 1.00 0.00 N ATOM 966 NH2 ARG A 59 4.736 -0.926 13.543 1.00 0.00 N ATOM 0 H ARG A 59 -2.631 -4.384 10.741 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.402 -2.507 12.904 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.615 -4.063 12.349 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.432 -3.315 10.774 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.302 -1.235 11.772 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.065 -1.821 13.382 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.673 -3.474 13.235 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.982 -3.058 11.561 1.00 0.00 H new ATOM 0 HE ARG A 59 2.329 -0.706 13.090 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.812 -3.908 12.777 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.420 -3.324 13.218 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.349 0.011 13.655 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.727 -1.093 13.718 1.00 0.00 H new ATOM 980 N ASN A 60 -2.446 -0.263 11.863 1.00 0.00 N ATOM 981 CA ASN A 60 -2.835 1.025 11.301 1.00 0.00 C ATOM 982 C ASN A 60 -1.674 1.659 10.540 1.00 0.00 C ATOM 983 O ASN A 60 -0.507 1.393 10.831 1.00 0.00 O ATOM 984 CB ASN A 60 -3.342 1.971 12.373 1.00 0.00 C ATOM 985 CG ASN A 60 -4.632 1.531 13.008 1.00 0.00 C ATOM 986 OD1 ASN A 60 -5.673 1.437 12.348 1.00 0.00 O ATOM 987 ND2 ASN A 60 -4.588 1.339 14.303 1.00 0.00 N ATOM 0 H ASN A 60 -2.249 -0.244 12.864 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.651 0.842 10.602 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.581 2.069 13.147 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.481 2.960 11.936 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.439 1.100 14.812 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.703 1.428 14.802 1.00 0.00 H new ATOM 994 N LEU A 61 -2.002 2.500 9.565 1.00 0.00 N ATOM 995 CA LEU A 61 -0.991 3.249 8.828 1.00 0.00 C ATOM 996 C LEU A 61 -0.146 4.099 9.772 1.00 0.00 C ATOM 997 O LEU A 61 1.065 4.223 9.596 1.00 0.00 O ATOM 998 CB LEU A 61 -1.653 4.130 7.762 1.00 0.00 C ATOM 999 CG LEU A 61 -2.319 3.370 6.608 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.153 4.325 5.765 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.251 2.695 5.760 1.00 0.00 C ATOM 0 H LEU A 61 -2.961 2.680 9.267 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.332 2.536 8.333 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.404 4.755 8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.899 4.800 7.348 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.982 2.605 7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.621 3.775 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.925 4.779 6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.511 5.105 5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.725 2.155 4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.577 3.450 5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.685 1.996 6.376 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.795 4.680 10.778 1.00 0.00 N ATOM 1014 CA ASN A 62 -0.092 5.448 11.798 1.00 0.00 C ATOM 1015 C ASN A 62 0.896 4.568 12.557 1.00 0.00 C ATOM 1016 O ASN A 62 2.003 4.999 12.879 1.00 0.00 O ATOM 1017 CB ASN A 62 -1.061 6.108 12.762 1.00 0.00 C ATOM 1018 CG ASN A 62 -0.393 6.986 13.784 1.00 0.00 C ATOM 1019 OD1 ASN A 62 0.261 7.979 13.446 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -0.488 6.581 15.024 1.00 0.00 N ATOM 0 H ASN A 62 -1.806 4.633 10.907 1.00 0.00 H new ATOM 0 HA ASN A 62 0.464 6.235 11.289 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.775 6.705 12.194 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.631 5.335 13.277 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.009 7.092 15.766 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.041 5.754 15.250 1.00 0.00 H new ATOM 1027 N GLU A 63 0.487 3.336 12.839 1.00 0.00 N ATOM 1028 CA GLU A 63 1.328 2.405 13.582 1.00 0.00 C ATOM 1029 C GLU A 63 2.547 1.996 12.760 1.00 0.00 C ATOM 1030 O GLU A 63 3.609 1.700 13.308 1.00 0.00 O ATOM 1031 CB GLU A 63 0.527 1.167 13.991 1.00 0.00 C ATOM 1032 CG GLU A 63 -0.518 1.420 15.068 1.00 0.00 C ATOM 1033 CD GLU A 63 -1.196 0.145 15.483 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -1.730 -0.525 14.632 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -1.084 -0.219 16.630 1.00 0.00 O ATOM 0 H GLU A 63 -0.420 2.959 12.565 1.00 0.00 H new ATOM 0 HA GLU A 63 1.676 2.911 14.483 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.031 0.763 13.109 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.219 0.403 14.346 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.045 1.881 15.935 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.262 2.126 14.697 1.00 0.00 H new ATOM 1042 N TYR A 64 2.385 1.982 11.441 1.00 0.00 N ATOM 1043 CA TYR A 64 3.481 1.640 10.541 1.00 0.00 C ATOM 1044 C TYR A 64 4.473 2.794 10.430 1.00 0.00 C ATOM 1045 O TYR A 64 5.623 2.602 10.034 1.00 0.00 O ATOM 1046 CB TYR A 64 2.943 1.272 9.156 1.00 0.00 C ATOM 1047 CG TYR A 64 2.440 -0.150 9.051 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.321 -1.220 9.103 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.088 -0.420 8.901 1.00 0.00 C ATOM 1050 CE1 TYR A 64 2.868 -2.523 9.007 1.00 0.00 C ATOM 1051 CE2 TYR A 64 0.623 -1.717 8.805 1.00 0.00 C ATOM 1052 CZ TYR A 64 1.518 -2.766 8.859 1.00 0.00 C ATOM 1053 OH TYR A 64 1.062 -4.061 8.763 1.00 0.00 O ATOM 0 H TYR A 64 1.507 2.203 10.972 1.00 0.00 H new ATOM 0 HA TYR A 64 4.002 0.777 10.956 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.132 1.954 8.899 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.732 1.423 8.419 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.378 -1.032 9.220 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.386 0.399 8.858 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.567 -3.345 9.048 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.433 -1.909 8.689 1.00 0.00 H new ATOM 0 HH TYR A 64 0.093 -4.057 8.617 1.00 0.00 H new ATOM 1063 N GLY A 65 4.020 3.992 10.783 1.00 0.00 N ATOM 1064 CA GLY A 65 4.827 5.181 10.575 1.00 0.00 C ATOM 1065 C GLY A 65 4.603 5.801 9.210 1.00 0.00 C ATOM 1066 O GLY A 65 5.507 6.419 8.647 1.00 0.00 O ATOM 0 H GLY A 65 3.109 4.161 11.209 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.594 5.915 11.347 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.881 4.925 10.686 1.00 0.00 H new ATOM 1070 N ILE A 66 3.398 5.636 8.676 1.00 0.00 N ATOM 1071 CA ILE A 66 3.074 6.143 7.349 1.00 0.00 C ATOM 1072 C ILE A 66 2.778 7.639 7.389 1.00 0.00 C ATOM 1073 O ILE A 66 1.820 8.078 8.026 1.00 0.00 O ATOM 1074 CB ILE A 66 1.867 5.406 6.741 1.00 0.00 C ATOM 1075 CG1 ILE A 66 2.145 3.903 6.659 1.00 0.00 C ATOM 1076 CG2 ILE A 66 1.540 5.966 5.365 1.00 0.00 C ATOM 1077 CD1 ILE A 66 3.279 3.543 5.726 1.00 0.00 C ATOM 0 H ILE A 66 2.629 5.155 9.143 1.00 0.00 H new ATOM 0 HA ILE A 66 3.948 5.965 6.722 1.00 0.00 H new ATOM 0 HB ILE A 66 1.004 5.561 7.388 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.376 3.531 7.657 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.240 3.393 6.330 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.684 5.434 4.950 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.301 7.026 5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.400 5.840 4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.416 2.462 5.721 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.043 3.884 4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.196 4.024 6.066 1.00 0.00 H new ATOM 1089 N THR A 67 3.608 8.418 6.702 1.00 0.00 N ATOM 1090 CA THR A 67 3.458 9.868 6.689 1.00 0.00 C ATOM 1091 C THR A 67 2.865 10.348 5.369 1.00 0.00 C ATOM 1092 O THR A 67 2.567 9.546 4.485 1.00 0.00 O ATOM 1093 CB THR A 67 4.806 10.576 6.923 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.673 10.341 5.806 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.467 10.059 8.191 1.00 0.00 C ATOM 0 H THR A 67 4.390 8.069 6.148 1.00 0.00 H new ATOM 0 HA THR A 67 2.778 10.122 7.502 1.00 0.00 H new ATOM 0 HB THR A 67 4.623 11.645 7.031 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.529 10.793 5.956 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.418 10.570 8.340 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.816 10.248 9.044 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.642 8.987 8.099 1.00 0.00 H new ATOM 1103 N GLU A 68 2.695 11.661 5.244 1.00 0.00 N ATOM 1104 CA GLU A 68 2.084 12.241 4.054 1.00 0.00 C ATOM 1105 C GLU A 68 2.864 11.857 2.799 1.00 0.00 C ATOM 1106 O GLU A 68 2.295 11.731 1.715 1.00 0.00 O ATOM 1107 CB GLU A 68 2.003 13.764 4.179 1.00 0.00 C ATOM 1108 CG GLU A 68 1.355 14.459 2.991 1.00 0.00 C ATOM 1109 CD GLU A 68 1.256 15.943 3.214 1.00 0.00 C ATOM 1110 OE1 GLU A 68 1.670 16.397 4.253 1.00 0.00 O ATOM 1111 OE2 GLU A 68 0.873 16.636 2.302 1.00 0.00 O ATOM 0 H GLU A 68 2.972 12.342 5.951 1.00 0.00 H new ATOM 0 HA GLU A 68 1.073 11.842 3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.442 14.013 5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.010 14.160 4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.937 14.262 2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.360 14.047 2.824 1.00 0.00 H new ATOM 1118 N PHE A 69 4.171 11.671 2.955 1.00 0.00 N ATOM 1119 CA PHE A 69 5.065 11.529 1.811 1.00 0.00 C ATOM 1120 C PHE A 69 5.581 10.099 1.698 1.00 0.00 C ATOM 1121 O PHE A 69 6.562 9.833 1.003 1.00 0.00 O ATOM 1122 CB PHE A 69 6.236 12.507 1.923 1.00 0.00 C ATOM 1123 CG PHE A 69 5.818 13.947 2.004 1.00 0.00 C ATOM 1124 CD1 PHE A 69 5.420 14.634 0.868 1.00 0.00 C ATOM 1125 CD2 PHE A 69 5.821 14.618 3.218 1.00 0.00 C ATOM 1126 CE1 PHE A 69 5.035 15.959 0.940 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.436 15.943 3.293 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.044 16.614 2.155 1.00 0.00 C ATOM 0 H PHE A 69 4.634 11.615 3.862 1.00 0.00 H new ATOM 0 HA PHE A 69 4.499 11.761 0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.822 12.258 2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.890 12.376 1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.411 14.127 -0.086 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.128 14.099 4.114 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.727 16.482 0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.442 16.453 4.245 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.745 17.650 2.214 1.00 0.00 H new ATOM 1138 N SER A 70 4.914 9.178 2.389 1.00 0.00 N ATOM 1139 CA SER A 70 5.342 7.785 2.418 1.00 0.00 C ATOM 1140 C SER A 70 5.362 7.194 1.011 1.00 0.00 C ATOM 1141 O SER A 70 4.407 7.346 0.250 1.00 0.00 O ATOM 1142 CB SER A 70 4.430 6.977 3.321 1.00 0.00 C ATOM 1143 OG SER A 70 4.809 7.068 4.668 1.00 0.00 O ATOM 0 H SER A 70 4.075 9.373 2.936 1.00 0.00 H new ATOM 0 HA SER A 70 6.356 7.744 2.816 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.404 7.329 3.208 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.445 5.932 3.010 1.00 0.00 H new ATOM 0 HG SER A 70 5.549 6.450 4.842 1.00 0.00 H new ATOM 1149 N GLU A 71 6.456 6.518 0.675 1.00 0.00 N ATOM 1150 CA GLU A 71 6.558 5.815 -0.598 1.00 0.00 C ATOM 1151 C GLU A 71 6.563 4.304 -0.387 1.00 0.00 C ATOM 1152 O GLU A 71 7.344 3.779 0.407 1.00 0.00 O ATOM 1153 CB GLU A 71 7.819 6.248 -1.350 1.00 0.00 C ATOM 1154 CG GLU A 71 7.847 7.720 -1.736 1.00 0.00 C ATOM 1155 CD GLU A 71 9.211 8.134 -2.212 1.00 0.00 C ATOM 1156 OE1 GLU A 71 10.140 8.043 -1.446 1.00 0.00 O ATOM 1157 OE2 GLU A 71 9.347 8.435 -3.374 1.00 0.00 O ATOM 0 H GLU A 71 7.284 6.442 1.266 1.00 0.00 H new ATOM 0 HA GLU A 71 5.686 6.075 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.689 6.031 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.913 5.646 -2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.114 7.906 -2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.558 8.328 -0.879 1.00 0.00 H new ATOM 1164 N ILE A 72 5.685 3.610 -1.104 1.00 0.00 N ATOM 1165 CA ILE A 72 5.546 2.167 -0.950 1.00 0.00 C ATOM 1166 C ILE A 72 5.868 1.443 -2.253 1.00 0.00 C ATOM 1167 O ILE A 72 5.552 1.926 -3.340 1.00 0.00 O ATOM 1168 CB ILE A 72 4.126 1.782 -0.496 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.084 2.337 -1.471 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.864 2.289 0.914 1.00 0.00 C ATOM 1171 CD1 ILE A 72 1.674 1.874 -1.186 1.00 0.00 C ATOM 0 H ILE A 72 5.060 4.023 -1.796 1.00 0.00 H new ATOM 0 HA ILE A 72 6.257 1.861 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 72 4.046 0.695 -0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.113 3.426 -1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.355 2.042 -2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.856 2.009 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.587 1.848 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.961 3.375 0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.993 2.309 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.628 0.787 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.382 2.192 -0.185 1.00 0.00 H new ATOM 1183 N VAL A 73 6.498 0.277 -2.136 1.00 0.00 N ATOM 1184 CA VAL A 73 6.811 -0.541 -3.299 1.00 0.00 C ATOM 1185 C VAL A 73 5.933 -1.786 -3.349 1.00 0.00 C ATOM 1186 O VAL A 73 5.863 -2.550 -2.387 1.00 0.00 O ATOM 1187 CB VAL A 73 8.291 -0.970 -3.307 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.585 -1.849 -4.513 1.00 0.00 C ATOM 1189 CG2 VAL A 73 9.199 0.251 -3.306 1.00 0.00 C ATOM 0 H VAL A 73 6.801 -0.121 -1.247 1.00 0.00 H new ATOM 0 HA VAL A 73 6.615 0.075 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 73 8.487 -1.547 -2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.635 -2.142 -4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.959 -2.740 -4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.373 -1.295 -5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.241 -0.070 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.000 0.853 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.008 0.846 -2.413 1.00 0.00 H new ATOM 1199 N VAL A 74 5.259 -1.984 -4.479 1.00 0.00 N ATOM 1200 CA VAL A 74 4.207 -2.989 -4.577 1.00 0.00 C ATOM 1201 C VAL A 74 4.512 -3.997 -5.679 1.00 0.00 C ATOM 1202 O VAL A 74 4.912 -3.626 -6.782 1.00 0.00 O ATOM 1203 CB VAL A 74 2.834 -2.346 -4.848 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.742 -3.405 -4.855 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.531 -1.277 -3.809 1.00 0.00 C ATOM 0 H VAL A 74 5.423 -1.461 -5.339 1.00 0.00 H new ATOM 0 HA VAL A 74 4.172 -3.503 -3.617 1.00 0.00 H new ATOM 0 HB VAL A 74 2.863 -1.874 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.779 -2.933 -5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.950 -4.137 -5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.714 -3.905 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.557 -0.834 -4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.521 -1.727 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.298 -0.503 -3.849 1.00 0.00 H new ATOM 1215 N PHE A 75 4.320 -5.276 -5.371 1.00 0.00 N ATOM 1216 CA PHE A 75 4.598 -6.342 -6.326 1.00 0.00 C ATOM 1217 C PHE A 75 3.326 -7.109 -6.672 1.00 0.00 C ATOM 1218 O PHE A 75 2.490 -7.372 -5.805 1.00 0.00 O ATOM 1219 CB PHE A 75 5.657 -7.297 -5.769 1.00 0.00 C ATOM 1220 CG PHE A 75 6.961 -6.630 -5.442 1.00 0.00 C ATOM 1221 CD1 PHE A 75 7.937 -6.464 -6.413 1.00 0.00 C ATOM 1222 CD2 PHE A 75 7.217 -6.165 -4.160 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.138 -5.852 -6.112 1.00 0.00 C ATOM 1224 CE2 PHE A 75 8.417 -5.552 -3.856 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.378 -5.395 -4.833 1.00 0.00 C ATOM 0 H PHE A 75 3.973 -5.599 -4.468 1.00 0.00 H new ATOM 0 HA PHE A 75 4.982 -5.886 -7.239 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.267 -7.772 -4.869 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.837 -8.089 -6.496 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.756 -6.818 -7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.469 -6.284 -3.390 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.889 -5.731 -6.878 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.603 -5.196 -2.854 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.316 -4.915 -4.597 1.00 0.00 H new ATOM 1235 N LEU A 76 3.183 -7.467 -7.944 1.00 0.00 N ATOM 1236 CA LEU A 76 1.989 -8.160 -8.415 1.00 0.00 C ATOM 1237 C LEU A 76 2.256 -9.653 -8.577 1.00 0.00 C ATOM 1238 O LEU A 76 3.280 -10.056 -9.130 1.00 0.00 O ATOM 1239 CB LEU A 76 1.510 -7.554 -9.740 1.00 0.00 C ATOM 1240 CG LEU A 76 1.157 -6.062 -9.684 1.00 0.00 C ATOM 1241 CD1 LEU A 76 0.763 -5.567 -11.069 1.00 0.00 C ATOM 1242 CD2 LEU A 76 0.025 -5.843 -8.691 1.00 0.00 C ATOM 0 H LEU A 76 3.880 -7.289 -8.667 1.00 0.00 H new ATOM 0 HA LEU A 76 1.204 -8.035 -7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.287 -7.700 -10.490 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.633 -8.106 -10.078 1.00 0.00 H new ATOM 0 HG LEU A 76 2.027 -5.495 -9.353 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.514 -4.507 -11.019 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.595 -5.712 -11.758 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.103 -6.127 -11.423 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.225 -4.783 -8.652 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.850 -6.411 -9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.338 -6.178 -7.702 1.00 0.00 H new ATOM 1254 N LYS A 77 1.327 -10.470 -8.094 1.00 0.00 N ATOM 1255 CA LYS A 77 1.438 -11.919 -8.225 1.00 0.00 C ATOM 1256 C LYS A 77 0.206 -12.499 -8.913 1.00 0.00 C ATOM 1257 O LYS A 77 -0.595 -13.195 -8.288 1.00 0.00 O ATOM 1258 CB LYS A 77 1.633 -12.568 -6.854 1.00 0.00 C ATOM 1259 CG LYS A 77 2.907 -12.145 -6.133 1.00 0.00 C ATOM 1260 CD LYS A 77 4.146 -12.540 -6.921 1.00 0.00 C ATOM 1261 CE LYS A 77 5.420 -12.163 -6.179 1.00 0.00 C ATOM 1262 NZ LYS A 77 6.640 -12.491 -6.963 1.00 0.00 N ATOM 0 H LYS A 77 0.488 -10.154 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 77 2.310 -12.136 -8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.776 -12.325 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.642 -13.651 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.900 -11.066 -5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.939 -12.606 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.135 -13.614 -7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.132 -12.050 -7.894 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.408 -11.096 -5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.451 -12.687 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.485 -12.218 -6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.666 -13.513 -7.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.624 -11.972 -7.864 1.00 0.00 H new ATOM 1276 N SER A 78 0.062 -12.210 -10.203 1.00 0.00 N ATOM 1277 CA SER A 78 -1.011 -12.790 -11.001 1.00 0.00 C ATOM 1278 C SER A 78 -0.724 -12.637 -12.490 1.00 0.00 C ATOM 1279 O SER A 78 0.124 -11.838 -12.892 1.00 0.00 O ATOM 1280 CB SER A 78 -2.335 -12.142 -10.645 1.00 0.00 C ATOM 1281 OG SER A 78 -2.403 -10.810 -11.080 1.00 0.00 O ATOM 0 H SER A 78 0.675 -11.578 -10.717 1.00 0.00 H new ATOM 0 HA SER A 78 -1.070 -13.855 -10.777 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.149 -12.712 -11.093 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.477 -12.178 -9.565 1.00 0.00 H new ATOM 0 HG SER A 78 -3.304 -10.459 -10.919 1.00 0.00 H new ATOM 1287 N ILE A 79 -1.433 -13.409 -13.306 1.00 0.00 N ATOM 1288 CA ILE A 79 -1.318 -13.298 -14.755 1.00 0.00 C ATOM 1289 C ILE A 79 -2.630 -12.832 -15.377 1.00 0.00 C ATOM 1290 O ILE A 79 -2.651 -11.897 -16.176 1.00 0.00 O ATOM 1291 CB ILE A 79 -0.904 -14.638 -15.392 1.00 0.00 C ATOM 1292 CG1 ILE A 79 0.467 -15.076 -14.870 1.00 0.00 C ATOM 1293 CG2 ILE A 79 -0.888 -14.522 -16.908 1.00 0.00 C ATOM 1294 CD1 ILE A 79 0.865 -16.470 -15.295 1.00 0.00 C ATOM 0 H ILE A 79 -2.093 -14.118 -12.988 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.543 -12.558 -14.954 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.636 -15.396 -15.113 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.221 -14.371 -15.220 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.464 -15.025 -13.781 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.594 -15.477 -17.343 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.883 -14.253 -17.263 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.176 -13.753 -17.207 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.847 -16.708 -14.887 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.133 -17.187 -14.922 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.902 -16.522 -16.383 1.00 0.00 H new ATOM 1306 N ASN A 80 -3.722 -13.491 -15.003 1.00 0.00 N ATOM 1307 CA ASN A 80 -5.041 -13.135 -15.515 1.00 0.00 C ATOM 1308 C ASN A 80 -5.488 -11.781 -14.970 1.00 0.00 C ATOM 1309 O ASN A 80 -5.049 -11.354 -13.902 1.00 0.00 O ATOM 1310 CB ASN A 80 -6.070 -14.201 -15.188 1.00 0.00 C ATOM 1311 CG ASN A 80 -5.897 -15.471 -15.973 1.00 0.00 C ATOM 1312 OD1 ASN A 80 -5.254 -15.489 -17.029 1.00 0.00 O ATOM 1313 ND2 ASN A 80 -6.534 -16.515 -15.507 1.00 0.00 N ATOM 0 H ASN A 80 -3.720 -14.273 -14.348 1.00 0.00 H new ATOM 0 HA ASN A 80 -4.962 -13.065 -16.600 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.015 -14.432 -14.124 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.066 -13.801 -15.376 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.514 -17.396 -16.021 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.050 -16.448 -14.630 1.00 0.00 H new ATOM 1320 N ARG A 81 -6.365 -11.112 -15.711 1.00 0.00 N ATOM 1321 CA ARG A 81 -6.845 -9.791 -15.321 1.00 0.00 C ATOM 1322 C ARG A 81 -8.318 -9.843 -14.929 1.00 0.00 C ATOM 1323 O ARG A 81 -9.055 -10.730 -15.360 1.00 0.00 O ATOM 1324 CB ARG A 81 -6.589 -8.745 -16.395 1.00 0.00 C ATOM 1325 CG ARG A 81 -5.122 -8.488 -16.700 1.00 0.00 C ATOM 1326 CD ARG A 81 -4.886 -7.524 -17.806 1.00 0.00 C ATOM 1327 NE ARG A 81 -3.484 -7.294 -18.116 1.00 0.00 N ATOM 1328 CZ ARG A 81 -3.038 -6.640 -19.206 1.00 0.00 C ATOM 1329 NH1 ARG A 81 -3.876 -6.183 -20.111 1.00 0.00 N ATOM 1330 NH2 ARG A 81 -1.734 -6.490 -19.355 1.00 0.00 N ATOM 0 H ARG A 81 -6.758 -11.463 -16.585 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.273 -9.483 -14.446 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.087 -9.058 -17.313 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.051 -7.807 -16.086 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.636 -8.115 -15.799 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.644 -9.435 -16.951 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.388 -7.888 -18.702 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.349 -6.572 -17.546 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.789 -7.653 -17.462 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.880 -6.322 -19.993 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.522 -5.690 -20.931 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.094 -6.865 -18.655 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.367 -5.999 -20.170 1.00 0.00 H new ATOM 1344 N ALA A 82 -8.741 -8.886 -14.109 1.00 0.00 N ATOM 1345 CA ALA A 82 -10.130 -8.815 -13.669 1.00 0.00 C ATOM 1346 C ALA A 82 -10.531 -7.378 -13.355 1.00 0.00 C ATOM 1347 O ALA A 82 -9.698 -6.559 -12.967 1.00 0.00 O ATOM 1348 CB ALA A 82 -10.344 -9.704 -12.454 1.00 0.00 C ATOM 0 H ALA A 82 -8.142 -8.149 -13.736 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.763 -9.172 -14.481 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.385 -9.641 -12.136 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.105 -10.736 -12.711 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.696 -9.373 -11.642 1.00 0.00 H new ATOM 1354 N LYS A 83 -11.815 -7.078 -13.525 1.00 0.00 N ATOM 1355 CA LYS A 83 -12.335 -5.747 -13.232 1.00 0.00 C ATOM 1356 C LYS A 83 -12.222 -5.435 -11.743 1.00 0.00 C ATOM 1357 O LYS A 83 -11.529 -4.500 -11.346 1.00 0.00 O ATOM 1358 CB LYS A 83 -13.789 -5.626 -13.689 1.00 0.00 C ATOM 1359 CG LYS A 83 -14.418 -4.264 -13.431 1.00 0.00 C ATOM 1360 CD LYS A 83 -15.847 -4.206 -13.952 1.00 0.00 C ATOM 1361 CE LYS A 83 -16.480 -2.849 -13.683 1.00 0.00 C ATOM 1362 NZ LYS A 83 -17.886 -2.786 -14.166 1.00 0.00 N ATOM 0 H LYS A 83 -12.514 -7.739 -13.864 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.735 -5.022 -13.781 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.841 -5.840 -14.757 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -14.381 -6.388 -13.182 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.410 -4.054 -12.361 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.822 -3.489 -13.912 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -15.854 -4.407 -15.023 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.441 -4.987 -13.478 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.454 -2.642 -12.613 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.893 -2.071 -14.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.281 -1.845 -13.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -17.909 -2.958 -15.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.453 -3.511 -13.681 1.00 0.00 H new ATOM 1376 N ASP A 84 -12.910 -6.225 -10.924 1.00 0.00 N ATOM 1377 CA ASP A 84 -12.779 -6.121 -9.476 1.00 0.00 C ATOM 1378 C ASP A 84 -11.463 -6.729 -9.003 1.00 0.00 C ATOM 1379 O ASP A 84 -11.474 -7.820 -8.433 1.00 0.00 O ATOM 1380 CB ASP A 84 -13.958 -6.806 -8.779 1.00 0.00 C ATOM 1381 CG ASP A 84 -13.963 -6.663 -7.263 1.00 0.00 C ATOM 1382 OD1 ASP A 84 -13.041 -6.084 -6.738 1.00 0.00 O ATOM 1383 OD2 ASP A 84 -14.956 -6.989 -6.659 1.00 0.00 O ATOM 1384 OXT ASP A 84 -10.431 -6.145 -9.187 1.00 0.00 O ATOM 0 H ASP A 84 -13.563 -6.943 -11.239 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.783 -5.063 -9.213 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.887 -6.394 -9.174 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.947 -7.866 -9.032 1.00 0.00 H new TER 1389 ASP A 84