USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 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 67 GLN : amide:sc= -1.09 K(o=-6.3,f=-10!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -5.18! C(o=-6.3!,f=-13!) USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= -0.297 USER MOD Set 2.2: A 37 MET CE :methyl 158:sc= -0.0175 (180deg=-1.14) USER MOD Set 2.3: A 65 MET CE :methyl -117:sc= -0.75 (180deg=-4.67!) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.789 (180deg=-1.37) USER MOD Single : A 1 MET N :NH3+ -164:sc= -4.62! (180deg=-5.71!) USER MOD Single : A 3 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.387) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.789 K(o=-0.79,f=-3.9!) USER MOD Single : A 12 HIS :FLIP no HE2:sc= 0.248 F(o=-1.3,f=0.25) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 170:sc= -0.19 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 179:sc= -1.48 USER MOD Single : A 19 ASN : amide:sc= -0.0448 K(o=-0.045,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 83:sc= 1.17 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.79 F(o=-1.9!,f=-0.79) USER MOD Single : A 35 ASN : amide:sc= -1.02 K(o=-1,f=-3.2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 77:sc= 0.0427 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 60 GLN : amide:sc= -9.7! C(o=-9.7!,f=-12!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 77:sc= 1.17 USER MOD Single : A 81 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.0006) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.780 -3.324 11.751 1.00 0.00 N ATOM 2 CA MET A 1 2.581 -3.236 10.876 1.00 0.00 C ATOM 3 C MET A 1 2.787 -2.311 9.691 1.00 0.00 C ATOM 4 O MET A 1 2.817 -1.092 9.834 1.00 0.00 O ATOM 5 CB MET A 1 1.406 -2.744 11.708 1.00 0.00 C ATOM 6 CG MET A 1 0.048 -3.010 11.082 1.00 0.00 C ATOM 7 SD MET A 1 -1.314 -2.443 12.121 1.00 0.00 S ATOM 8 CE MET A 1 -0.756 -0.795 12.544 1.00 0.00 C ATOM 0 H1 MET A 1 3.695 -4.152 12.375 1.00 0.00 H new ATOM 0 H2 MET A 1 4.633 -3.420 11.163 1.00 0.00 H new ATOM 0 H3 MET A 1 3.853 -2.462 12.328 1.00 0.00 H new ATOM 0 HA MET A 1 2.388 -4.230 10.473 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.443 -3.222 12.687 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.515 -1.672 11.872 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.006 -2.512 10.114 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.060 -4.079 10.897 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.611 -0.185 12.834 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.052 -0.851 13.374 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.265 -0.345 11.681 1.00 0.00 H new ATOM 20 N PHE A 2 2.893 -2.903 8.511 1.00 0.00 N ATOM 21 CA PHE A 2 3.066 -2.134 7.294 1.00 0.00 C ATOM 22 C PHE A 2 1.740 -1.516 6.873 1.00 0.00 C ATOM 23 O PHE A 2 0.673 -2.028 7.210 1.00 0.00 O ATOM 24 CB PHE A 2 3.619 -3.023 6.184 1.00 0.00 C ATOM 25 CG PHE A 2 5.029 -3.468 6.439 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.290 -4.520 7.301 1.00 0.00 C ATOM 27 CD2 PHE A 2 6.092 -2.829 5.825 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.586 -4.928 7.544 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.390 -3.232 6.064 1.00 0.00 C ATOM 30 CZ PHE A 2 7.638 -4.284 6.926 1.00 0.00 C ATOM 0 H PHE A 2 2.862 -3.913 8.373 1.00 0.00 H new ATOM 0 HA PHE A 2 3.779 -1.331 7.481 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.981 -3.900 6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.580 -2.482 5.239 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.470 -5.027 7.789 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.904 -2.006 5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.776 -5.751 8.217 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.211 -2.726 5.578 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.653 -4.601 7.115 1.00 0.00 H new ATOM 40 N LYS A 3 1.809 -0.407 6.150 1.00 0.00 N ATOM 41 CA LYS A 3 0.608 0.276 5.702 1.00 0.00 C ATOM 42 C LYS A 3 0.477 0.200 4.192 1.00 0.00 C ATOM 43 O LYS A 3 1.343 0.677 3.462 1.00 0.00 O ATOM 44 CB LYS A 3 0.638 1.738 6.147 1.00 0.00 C ATOM 45 CG LYS A 3 0.094 1.961 7.549 1.00 0.00 C ATOM 46 CD LYS A 3 1.207 1.948 8.584 1.00 0.00 C ATOM 47 CE LYS A 3 0.723 1.397 9.915 1.00 0.00 C ATOM 48 NZ LYS A 3 1.466 1.984 11.064 1.00 0.00 N ATOM 0 H LYS A 3 2.682 0.036 5.863 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.254 -0.218 6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.665 2.101 6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.059 2.335 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.432 2.915 7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.634 1.186 7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.038 1.344 8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.587 2.960 8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.341 1.604 10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.840 0.313 9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.478 1.306 11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.442 2.196 10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.997 2.861 11.369 1.00 0.00 H new ATOM 62 N VAL A 4 -0.607 -0.403 3.718 1.00 0.00 N ATOM 63 CA VAL A 4 -0.822 -0.518 2.282 1.00 0.00 C ATOM 64 C VAL A 4 -1.984 0.339 1.814 1.00 0.00 C ATOM 65 O VAL A 4 -3.105 0.221 2.311 1.00 0.00 O ATOM 66 CB VAL A 4 -1.078 -1.968 1.831 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.547 -1.998 0.384 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.173 -2.801 1.979 1.00 0.00 C ATOM 0 H VAL A 4 -1.340 -0.814 4.297 1.00 0.00 H new ATOM 0 HA VAL A 4 0.104 -0.166 1.828 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.857 -2.388 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.724 -3.030 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.472 -1.428 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.782 -1.557 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.029 -3.822 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.968 -2.376 1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.485 -2.807 3.023 1.00 0.00 H new ATOM 78 N TYR A 5 -1.709 1.169 0.822 1.00 0.00 N ATOM 79 CA TYR A 5 -2.720 2.023 0.239 1.00 0.00 C ATOM 80 C TYR A 5 -3.117 1.468 -1.118 1.00 0.00 C ATOM 81 O TYR A 5 -2.394 1.633 -2.099 1.00 0.00 O ATOM 82 CB TYR A 5 -2.200 3.451 0.090 1.00 0.00 C ATOM 83 CG TYR A 5 -1.990 4.157 1.406 1.00 0.00 C ATOM 84 CD1 TYR A 5 -2.959 4.115 2.398 1.00 0.00 C ATOM 85 CD2 TYR A 5 -0.827 4.873 1.653 1.00 0.00 C ATOM 86 CE1 TYR A 5 -2.775 4.765 3.602 1.00 0.00 C ATOM 87 CE2 TYR A 5 -0.637 5.525 2.856 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.612 5.468 3.826 1.00 0.00 C ATOM 89 OH TYR A 5 -1.426 6.118 5.025 1.00 0.00 O ATOM 0 H TYR A 5 -0.784 1.267 0.403 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.590 2.046 0.896 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.257 3.430 -0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.905 4.025 -0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.872 3.565 2.226 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.060 4.921 0.894 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.539 4.722 4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.274 6.078 3.035 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.903 5.639 5.734 1.00 0.00 H new ATOM 99 N GLY A 6 -4.250 0.786 -1.168 1.00 0.00 N ATOM 100 CA GLY A 6 -4.698 0.203 -2.412 1.00 0.00 C ATOM 101 C GLY A 6 -6.180 -0.086 -2.414 1.00 0.00 C ATOM 102 O GLY A 6 -6.982 0.730 -1.960 1.00 0.00 O ATOM 0 H GLY A 6 -4.866 0.626 -0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.462 0.880 -3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.150 -0.722 -2.594 1.00 0.00 H new ATOM 106 N TYR A 7 -6.545 -1.248 -2.939 1.00 0.00 N ATOM 107 CA TYR A 7 -7.931 -1.647 -3.017 1.00 0.00 C ATOM 108 C TYR A 7 -8.162 -2.977 -2.308 1.00 0.00 C ATOM 109 O TYR A 7 -7.227 -3.750 -2.096 1.00 0.00 O ATOM 110 CB TYR A 7 -8.329 -1.747 -4.480 1.00 0.00 C ATOM 111 CG TYR A 7 -8.033 -0.483 -5.252 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.669 0.707 -4.934 1.00 0.00 C ATOM 113 CD2 TYR A 7 -7.107 -0.477 -6.286 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.394 1.869 -5.626 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.824 0.683 -6.982 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.471 1.853 -6.648 1.00 0.00 C ATOM 117 OH TYR A 7 -7.194 3.010 -7.338 1.00 0.00 O ATOM 0 H TYR A 7 -5.889 -1.931 -3.318 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.547 -0.900 -2.516 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.800 -2.581 -4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.394 -1.969 -4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.392 0.725 -4.132 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.600 -1.393 -6.551 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.901 2.787 -5.367 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.100 0.673 -7.783 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.520 2.827 -8.026 1.00 0.00 H new ATOM 127 N ASP A 8 -9.412 -3.238 -1.940 1.00 0.00 N ATOM 128 CA ASP A 8 -9.764 -4.475 -1.252 1.00 0.00 C ATOM 129 C ASP A 8 -10.048 -5.592 -2.252 1.00 0.00 C ATOM 130 O ASP A 8 -9.273 -6.541 -2.375 1.00 0.00 O ATOM 131 CB ASP A 8 -10.984 -4.257 -0.354 1.00 0.00 C ATOM 132 CG ASP A 8 -10.612 -3.687 1.001 1.00 0.00 C ATOM 133 OD1 ASP A 8 -9.480 -3.178 1.142 1.00 0.00 O ATOM 134 OD2 ASP A 8 -11.454 -3.749 1.922 1.00 0.00 O ATOM 0 H ASP A 8 -10.198 -2.610 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.916 -4.771 -0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.680 -3.581 -0.850 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.504 -5.205 -0.216 1.00 0.00 H new ATOM 139 N SER A 9 -11.167 -5.471 -2.960 1.00 0.00 N ATOM 140 CA SER A 9 -11.563 -6.469 -3.951 1.00 0.00 C ATOM 141 C SER A 9 -12.978 -6.203 -4.449 1.00 0.00 C ATOM 142 O SER A 9 -13.281 -6.394 -5.627 1.00 0.00 O ATOM 143 CB SER A 9 -11.480 -7.880 -3.360 1.00 0.00 C ATOM 144 OG SER A 9 -12.217 -8.805 -4.142 1.00 0.00 O ATOM 0 H SER A 9 -11.817 -4.691 -2.866 1.00 0.00 H new ATOM 0 HA SER A 9 -10.874 -6.397 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.438 -8.194 -3.306 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.865 -7.874 -2.340 1.00 0.00 H new ATOM 0 HG SER A 9 -12.147 -9.698 -3.745 1.00 0.00 H new ATOM 150 N ASN A 10 -13.842 -5.759 -3.543 1.00 0.00 N ATOM 151 CA ASN A 10 -15.229 -5.466 -3.885 1.00 0.00 C ATOM 152 C ASN A 10 -15.347 -4.112 -4.576 1.00 0.00 C ATOM 153 O ASN A 10 -16.260 -3.890 -5.372 1.00 0.00 O ATOM 154 CB ASN A 10 -16.104 -5.491 -2.630 1.00 0.00 C ATOM 155 CG ASN A 10 -15.883 -6.739 -1.797 1.00 0.00 C ATOM 156 OD1 ASN A 10 -15.023 -7.563 -2.108 1.00 0.00 O ATOM 157 ND2 ASN A 10 -16.663 -6.886 -0.732 1.00 0.00 N ATOM 0 H ASN A 10 -13.606 -5.594 -2.565 1.00 0.00 H new ATOM 0 HA ASN A 10 -15.575 -6.235 -4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.891 -4.610 -2.024 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.153 -5.432 -2.920 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -16.562 -7.707 -0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.363 -6.178 -0.511 1.00 0.00 H new ATOM 164 N ILE A 11 -14.418 -3.210 -4.272 1.00 0.00 N ATOM 165 CA ILE A 11 -14.424 -1.882 -4.873 1.00 0.00 C ATOM 166 C ILE A 11 -13.621 -1.869 -6.168 1.00 0.00 C ATOM 167 O ILE A 11 -14.038 -1.273 -7.162 1.00 0.00 O ATOM 168 CB ILE A 11 -13.850 -0.819 -3.913 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.575 -0.867 -2.566 1.00 0.00 C ATOM 170 CG2 ILE A 11 -13.959 0.571 -4.528 1.00 0.00 C ATOM 171 CD1 ILE A 11 -14.147 -2.020 -1.686 1.00 0.00 C ATOM 0 H ILE A 11 -13.655 -3.374 -3.616 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.464 -1.636 -5.086 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.796 -1.040 -3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.399 0.069 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.648 -0.936 -2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.549 1.308 -3.837 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.400 0.600 -5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.006 0.801 -4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.703 -1.989 -0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.349 -2.962 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.080 -1.942 -1.477 1.00 0.00 H new ATOM 183 N HIS A 12 -12.470 -2.534 -6.153 1.00 0.00 N ATOM 184 CA HIS A 12 -11.616 -2.599 -7.328 1.00 0.00 C ATOM 185 C HIS A 12 -10.765 -3.865 -7.313 1.00 0.00 C ATOM 186 O HIS A 12 -10.481 -4.422 -6.253 1.00 0.00 O ATOM 187 CB HIS A 12 -10.715 -1.367 -7.399 1.00 0.00 C ATOM 188 CG HIS A 12 -10.165 -1.098 -8.766 1.00 0.00 C ATOM 189 ND1 HIS A 12 -8.887 -0.881 -9.166 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -10.937 -1.020 -9.905 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -8.867 -0.673 -10.544 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -10.121 -0.767 -10.939 1.00 0.00 N flip ATOM 0 H HIS A 12 -12.110 -3.034 -5.340 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.256 -2.623 -8.210 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.280 -0.496 -7.067 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.886 -1.494 -6.703 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -8.070 -0.872 -8.555 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -12.009 -1.141 -9.956 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -8.003 -0.476 -11.161 1.00 0.00 H new ATOM 200 N LYS A 13 -10.359 -4.309 -8.496 1.00 0.00 N ATOM 201 CA LYS A 13 -9.538 -5.507 -8.623 1.00 0.00 C ATOM 202 C LYS A 13 -8.096 -5.219 -8.223 1.00 0.00 C ATOM 203 O LYS A 13 -7.654 -4.071 -8.244 1.00 0.00 O ATOM 204 CB LYS A 13 -9.588 -6.034 -10.058 1.00 0.00 C ATOM 205 CG LYS A 13 -9.040 -5.056 -11.083 1.00 0.00 C ATOM 206 CD LYS A 13 -8.780 -5.734 -12.419 1.00 0.00 C ATOM 207 CE LYS A 13 -7.490 -6.539 -12.393 1.00 0.00 C ATOM 208 NZ LYS A 13 -6.375 -5.821 -13.070 1.00 0.00 N ATOM 0 H LYS A 13 -10.585 -3.857 -9.382 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.938 -6.267 -7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.021 -6.963 -10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.620 -6.274 -10.313 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.747 -4.238 -11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.114 -4.618 -10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.615 -6.390 -12.664 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.725 -4.981 -13.206 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.213 -6.748 -11.360 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.652 -7.500 -12.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.513 -6.402 -13.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.628 -5.644 -14.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.203 -4.915 -12.589 1.00 0.00 H new ATOM 222 N CYS A 14 -7.364 -6.268 -7.857 1.00 0.00 N ATOM 223 CA CYS A 14 -5.969 -6.122 -7.452 1.00 0.00 C ATOM 224 C CYS A 14 -5.370 -7.468 -7.063 1.00 0.00 C ATOM 225 O CYS A 14 -5.372 -7.846 -5.892 1.00 0.00 O ATOM 226 CB CYS A 14 -5.849 -5.140 -6.282 1.00 0.00 C ATOM 227 SG CYS A 14 -7.158 -5.294 -5.042 1.00 0.00 S ATOM 0 H CYS A 14 -7.713 -7.226 -7.833 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.413 -5.729 -8.303 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.885 -5.289 -5.796 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.854 -4.123 -6.675 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.857 -4.575 -4.002 1.00 0.00 H new ATOM 233 N VAL A 15 -4.858 -8.189 -8.056 1.00 0.00 N ATOM 234 CA VAL A 15 -4.255 -9.497 -7.826 1.00 0.00 C ATOM 235 C VAL A 15 -2.903 -9.369 -7.134 1.00 0.00 C ATOM 236 O VAL A 15 -2.529 -10.214 -6.320 1.00 0.00 O ATOM 237 CB VAL A 15 -4.068 -10.265 -9.149 1.00 0.00 C ATOM 238 CG1 VAL A 15 -5.412 -10.725 -9.696 1.00 0.00 C ATOM 239 CG2 VAL A 15 -3.337 -9.405 -10.168 1.00 0.00 C ATOM 0 H VAL A 15 -4.849 -7.888 -9.031 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.938 -10.050 -7.181 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.461 -11.148 -8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.259 -11.265 -10.630 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.894 -11.382 -8.972 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.047 -9.858 -9.878 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.214 -9.965 -11.095 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.915 -8.502 -10.363 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.357 -9.132 -9.777 1.00 0.00 H new ATOM 249 N TYR A 16 -2.169 -8.312 -7.468 1.00 0.00 N ATOM 250 CA TYR A 16 -0.855 -8.078 -6.881 1.00 0.00 C ATOM 251 C TYR A 16 -0.956 -7.811 -5.381 1.00 0.00 C ATOM 252 O TYR A 16 0.029 -7.937 -4.653 1.00 0.00 O ATOM 253 CB TYR A 16 -0.163 -6.905 -7.581 1.00 0.00 C ATOM 254 CG TYR A 16 0.951 -7.333 -8.508 1.00 0.00 C ATOM 255 CD1 TYR A 16 0.673 -7.964 -9.715 1.00 0.00 C ATOM 256 CD2 TYR A 16 2.282 -7.114 -8.175 1.00 0.00 C ATOM 257 CE1 TYR A 16 1.688 -8.364 -10.563 1.00 0.00 C ATOM 258 CE2 TYR A 16 3.304 -7.510 -9.019 1.00 0.00 C ATOM 259 CZ TYR A 16 3.001 -8.134 -10.211 1.00 0.00 C ATOM 260 OH TYR A 16 4.016 -8.529 -11.053 1.00 0.00 O ATOM 0 H TYR A 16 -2.462 -7.605 -8.142 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.259 -8.980 -7.023 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.904 -6.343 -8.150 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.241 -6.229 -6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.354 -8.145 -9.995 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.523 -6.627 -7.242 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.454 -8.854 -11.496 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.334 -7.331 -8.746 1.00 0.00 H new ATOM 0 HH TYR A 16 4.880 -8.292 -10.657 1.00 0.00 H new ATOM 270 N CYS A 17 -2.151 -7.443 -4.923 1.00 0.00 N ATOM 271 CA CYS A 17 -2.368 -7.166 -3.508 1.00 0.00 C ATOM 272 C CYS A 17 -2.277 -8.449 -2.693 1.00 0.00 C ATOM 273 O CYS A 17 -1.400 -8.595 -1.843 1.00 0.00 O ATOM 274 CB CYS A 17 -3.732 -6.506 -3.296 1.00 0.00 C ATOM 275 SG CYS A 17 -3.778 -5.332 -1.921 1.00 0.00 S ATOM 0 H CYS A 17 -2.978 -7.331 -5.509 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.590 -6.481 -3.170 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.020 -5.989 -4.211 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.476 -7.283 -3.122 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.963 -4.804 -1.841 1.00 0.00 H new ATOM 281 N ASP A 18 -3.180 -9.385 -2.970 1.00 0.00 N ATOM 282 CA ASP A 18 -3.200 -10.664 -2.265 1.00 0.00 C ATOM 283 C ASP A 18 -1.811 -11.297 -2.254 1.00 0.00 C ATOM 284 O ASP A 18 -1.409 -11.925 -1.275 1.00 0.00 O ATOM 285 CB ASP A 18 -4.200 -11.616 -2.922 1.00 0.00 C ATOM 286 CG ASP A 18 -4.759 -12.631 -1.945 1.00 0.00 C ATOM 287 OD1 ASP A 18 -3.957 -13.359 -1.322 1.00 0.00 O ATOM 288 OD2 ASP A 18 -5.997 -12.699 -1.801 1.00 0.00 O ATOM 0 H ASP A 18 -3.908 -9.283 -3.677 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.507 -10.480 -1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.019 -11.039 -3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.713 -12.138 -3.746 1.00 0.00 H new ATOM 293 N ASN A 19 -1.083 -11.120 -3.353 1.00 0.00 N ATOM 294 CA ASN A 19 0.262 -11.668 -3.478 1.00 0.00 C ATOM 295 C ASN A 19 1.191 -11.067 -2.427 1.00 0.00 C ATOM 296 O ASN A 19 1.847 -11.791 -1.677 1.00 0.00 O ATOM 297 CB ASN A 19 0.815 -11.402 -4.879 1.00 0.00 C ATOM 298 CG ASN A 19 -0.015 -12.063 -5.962 1.00 0.00 C ATOM 299 OD1 ASN A 19 -0.950 -12.812 -5.675 1.00 0.00 O ATOM 300 ND2 ASN A 19 0.323 -11.790 -7.217 1.00 0.00 N ATOM 0 H ASN A 19 -1.403 -10.600 -4.170 1.00 0.00 H new ATOM 0 HA ASN A 19 0.208 -12.745 -3.317 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.848 -10.327 -5.056 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.841 -11.767 -4.937 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.199 -12.206 -7.988 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.105 -11.164 -7.410 1.00 0.00 H new ATOM 307 N ALA A 20 1.255 -9.739 -2.390 1.00 0.00 N ATOM 308 CA ALA A 20 2.108 -9.047 -1.434 1.00 0.00 C ATOM 309 C ALA A 20 1.752 -9.425 -0.001 1.00 0.00 C ATOM 310 O ALA A 20 2.632 -9.722 0.806 1.00 0.00 O ATOM 311 CB ALA A 20 2.020 -7.542 -1.632 1.00 0.00 C ATOM 0 H ALA A 20 0.728 -9.124 -3.010 1.00 0.00 H new ATOM 0 HA ALA A 20 3.137 -9.360 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.664 -7.042 -0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.343 -7.288 -2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.990 -7.216 -1.488 1.00 0.00 H new ATOM 317 N LYS A 21 0.460 -9.428 0.311 1.00 0.00 N ATOM 318 CA LYS A 21 0.003 -9.784 1.651 1.00 0.00 C ATOM 319 C LYS A 21 0.638 -11.098 2.095 1.00 0.00 C ATOM 320 O LYS A 21 1.014 -11.259 3.257 1.00 0.00 O ATOM 321 CB LYS A 21 -1.523 -9.903 1.679 1.00 0.00 C ATOM 322 CG LYS A 21 -2.082 -10.294 3.038 1.00 0.00 C ATOM 323 CD LYS A 21 -3.375 -11.082 2.903 1.00 0.00 C ATOM 324 CE LYS A 21 -4.278 -10.881 4.110 1.00 0.00 C ATOM 325 NZ LYS A 21 -3.846 -11.707 5.271 1.00 0.00 N ATOM 0 H LYS A 21 -0.286 -9.189 -0.342 1.00 0.00 H new ATOM 0 HA LYS A 21 0.306 -8.996 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.958 -8.950 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.834 -10.643 0.942 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.346 -10.890 3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.262 -9.397 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.899 -10.771 1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.147 -12.142 2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.277 -9.828 4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.303 -11.138 3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.487 -11.541 6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.872 -12.713 5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.877 -11.444 5.543 1.00 0.00 H new ATOM 339 N ARG A 22 0.769 -12.030 1.154 1.00 0.00 N ATOM 340 CA ARG A 22 1.374 -13.325 1.440 1.00 0.00 C ATOM 341 C ARG A 22 2.862 -13.153 1.723 1.00 0.00 C ATOM 342 O ARG A 22 3.446 -13.895 2.513 1.00 0.00 O ATOM 343 CB ARG A 22 1.172 -14.281 0.263 1.00 0.00 C ATOM 344 CG ARG A 22 1.409 -15.741 0.618 1.00 0.00 C ATOM 345 CD ARG A 22 0.206 -16.346 1.323 1.00 0.00 C ATOM 346 NE ARG A 22 0.268 -17.806 1.357 1.00 0.00 N ATOM 347 CZ ARG A 22 -0.762 -18.585 1.677 1.00 0.00 C ATOM 348 NH1 ARG A 22 -1.935 -18.049 1.991 1.00 0.00 N ATOM 349 NH2 ARG A 22 -0.621 -19.903 1.683 1.00 0.00 N ATOM 0 H ARG A 22 0.464 -11.911 0.188 1.00 0.00 H new ATOM 0 HA ARG A 22 0.890 -13.749 2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.156 -14.168 -0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.847 -13.998 -0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.623 -16.307 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.287 -15.823 1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.152 -15.962 2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.707 -16.034 0.815 1.00 0.00 H new ATOM 0 HE ARG A 22 1.153 -18.254 1.121 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.050 -17.035 1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.722 -18.651 2.236 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.278 -20.321 1.442 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.411 -20.499 1.928 1.00 0.00 H new ATOM 363 N LEU A 23 3.465 -12.157 1.080 1.00 0.00 N ATOM 364 CA LEU A 23 4.881 -11.862 1.262 1.00 0.00 C ATOM 365 C LEU A 23 5.175 -11.613 2.736 1.00 0.00 C ATOM 366 O LEU A 23 6.025 -12.273 3.334 1.00 0.00 O ATOM 367 CB LEU A 23 5.264 -10.631 0.434 1.00 0.00 C ATOM 368 CG LEU A 23 6.755 -10.476 0.115 1.00 0.00 C ATOM 369 CD1 LEU A 23 7.019 -9.123 -0.526 1.00 0.00 C ATOM 370 CD2 LEU A 23 7.600 -10.636 1.367 1.00 0.00 C ATOM 0 H LEU A 23 2.990 -11.537 0.424 1.00 0.00 H new ATOM 0 HA LEU A 23 5.470 -12.715 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.713 -10.663 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.932 -9.741 0.968 1.00 0.00 H new ATOM 0 HG LEU A 23 7.034 -11.262 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.082 -9.026 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.447 -9.040 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.718 -8.331 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.654 -10.521 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.318 -9.876 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.435 -11.626 1.793 1.00 0.00 H new ATOM 382 N LEU A 24 4.452 -10.662 3.316 1.00 0.00 N ATOM 383 CA LEU A 24 4.618 -10.322 4.723 1.00 0.00 C ATOM 384 C LEU A 24 4.323 -11.528 5.607 1.00 0.00 C ATOM 385 O LEU A 24 5.132 -11.901 6.457 1.00 0.00 O ATOM 386 CB LEU A 24 3.689 -9.169 5.104 1.00 0.00 C ATOM 387 CG LEU A 24 4.027 -7.823 4.460 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.802 -7.233 3.783 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.573 -6.858 5.499 1.00 0.00 C ATOM 0 H LEU A 24 3.743 -10.111 2.831 1.00 0.00 H new ATOM 0 HA LEU A 24 5.653 -10.016 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.669 -9.439 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.708 -9.051 6.187 1.00 0.00 H new ATOM 0 HG LEU A 24 4.794 -7.988 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.062 -6.276 3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.449 -7.916 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.015 -7.083 4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.808 -5.906 5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.826 -6.700 6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.477 -7.275 5.943 1.00 0.00 H new ATOM 401 N THR A 25 3.158 -12.137 5.399 1.00 0.00 N ATOM 402 CA THR A 25 2.753 -13.303 6.174 1.00 0.00 C ATOM 403 C THR A 25 3.853 -14.359 6.170 1.00 0.00 C ATOM 404 O THR A 25 4.144 -14.976 7.195 1.00 0.00 O ATOM 405 CB THR A 25 1.459 -13.893 5.610 1.00 0.00 C ATOM 406 OG1 THR A 25 0.489 -12.879 5.413 1.00 0.00 O ATOM 407 CG2 THR A 25 0.843 -14.949 6.503 1.00 0.00 C ATOM 0 H THR A 25 2.478 -11.840 4.699 1.00 0.00 H new ATOM 0 HA THR A 25 2.578 -12.986 7.202 1.00 0.00 H new ATOM 0 HB THR A 25 1.742 -14.358 4.666 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.654 -12.431 4.557 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.071 -15.325 6.044 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.548 -15.770 6.635 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.608 -14.513 7.474 1.00 0.00 H new ATOM 415 N VAL A 26 4.469 -14.551 5.008 1.00 0.00 N ATOM 416 CA VAL A 26 5.548 -15.520 4.861 1.00 0.00 C ATOM 417 C VAL A 26 6.766 -15.090 5.675 1.00 0.00 C ATOM 418 O VAL A 26 7.515 -15.926 6.182 1.00 0.00 O ATOM 419 CB VAL A 26 5.949 -15.686 3.379 1.00 0.00 C ATOM 420 CG1 VAL A 26 7.186 -16.563 3.239 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.791 -16.261 2.578 1.00 0.00 C ATOM 0 H VAL A 26 4.238 -14.046 4.152 1.00 0.00 H new ATOM 0 HA VAL A 26 5.186 -16.478 5.233 1.00 0.00 H new ATOM 0 HB VAL A 26 6.192 -14.700 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.444 -16.662 2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.018 -16.107 3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.982 -17.549 3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.089 -16.372 1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.517 -17.235 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.936 -15.588 2.641 1.00 0.00 H new ATOM 431 N LYS A 27 6.952 -13.780 5.797 1.00 0.00 N ATOM 432 CA LYS A 27 8.071 -13.230 6.553 1.00 0.00 C ATOM 433 C LYS A 27 7.738 -13.140 8.042 1.00 0.00 C ATOM 434 O LYS A 27 8.613 -12.866 8.865 1.00 0.00 O ATOM 435 CB LYS A 27 8.438 -11.843 6.018 1.00 0.00 C ATOM 436 CG LYS A 27 9.513 -11.867 4.943 1.00 0.00 C ATOM 437 CD LYS A 27 10.891 -11.601 5.527 1.00 0.00 C ATOM 438 CE LYS A 27 11.984 -12.246 4.691 1.00 0.00 C ATOM 439 NZ LYS A 27 12.403 -13.563 5.246 1.00 0.00 N ATOM 0 H LYS A 27 6.340 -13.078 5.381 1.00 0.00 H new ATOM 0 HA LYS A 27 8.922 -13.900 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.543 -11.371 5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.779 -11.222 6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.509 -12.836 4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.287 -11.117 4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.062 -10.526 5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.936 -11.986 6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.629 -12.379 3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.846 -11.581 4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.150 -13.970 4.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.766 -13.433 6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.586 -14.207 5.267 1.00 0.00 H new ATOM 453 N LYS A 28 6.469 -13.366 8.385 1.00 0.00 N ATOM 454 CA LYS A 28 6.023 -13.303 9.776 1.00 0.00 C ATOM 455 C LYS A 28 5.960 -11.856 10.252 1.00 0.00 C ATOM 456 O LYS A 28 6.517 -11.507 11.295 1.00 0.00 O ATOM 457 CB LYS A 28 6.956 -14.115 10.681 1.00 0.00 C ATOM 458 CG LYS A 28 6.301 -14.568 11.976 1.00 0.00 C ATOM 459 CD LYS A 28 5.706 -15.961 11.840 1.00 0.00 C ATOM 460 CE LYS A 28 4.416 -15.938 11.035 1.00 0.00 C ATOM 461 NZ LYS A 28 3.648 -17.204 11.181 1.00 0.00 N ATOM 0 H LYS A 28 5.732 -13.594 7.718 1.00 0.00 H new ATOM 0 HA LYS A 28 5.023 -13.734 9.832 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.307 -14.991 10.135 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.834 -13.514 10.918 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.038 -14.562 12.779 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.519 -13.862 12.256 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.427 -16.620 11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.511 -16.373 12.830 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.800 -15.100 11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.648 -15.773 9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.776 -17.148 10.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.226 -18.001 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.404 -17.349 12.182 1.00 0.00 H new ATOM 475 N GLN A 29 5.281 -11.015 9.479 1.00 0.00 N ATOM 476 CA GLN A 29 5.152 -9.606 9.817 1.00 0.00 C ATOM 477 C GLN A 29 3.702 -9.141 9.703 1.00 0.00 C ATOM 478 O GLN A 29 3.029 -9.423 8.713 1.00 0.00 O ATOM 479 CB GLN A 29 6.034 -8.763 8.895 1.00 0.00 C ATOM 480 CG GLN A 29 7.463 -8.606 9.393 1.00 0.00 C ATOM 481 CD GLN A 29 7.547 -7.886 10.724 1.00 0.00 C ATOM 482 OE1 GLN A 29 6.869 -6.748 10.826 1.00 0.00 O flip ATOM 483 NE2 GLN A 29 8.216 -8.344 11.651 1.00 0.00 N flip ATOM 0 H GLN A 29 4.812 -11.287 8.615 1.00 0.00 H new ATOM 0 HA GLN A 29 5.475 -9.478 10.850 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.051 -9.220 7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.587 -7.775 8.782 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.919 -9.591 9.489 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.043 -8.057 8.651 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.722 -9.222 11.530 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.265 -7.846 12.540 1.00 0.00 H new ATOM 492 N PRO A 30 3.204 -8.403 10.712 1.00 0.00 N ATOM 493 CA PRO A 30 1.836 -7.884 10.707 1.00 0.00 C ATOM 494 C PRO A 30 1.735 -6.607 9.888 1.00 0.00 C ATOM 495 O PRO A 30 2.745 -5.961 9.623 1.00 0.00 O ATOM 496 CB PRO A 30 1.596 -7.579 12.180 1.00 0.00 C ATOM 497 CG PRO A 30 2.930 -7.128 12.658 1.00 0.00 C ATOM 498 CD PRO A 30 3.932 -7.993 11.934 1.00 0.00 C ATOM 0 HA PRO A 30 1.117 -8.577 10.270 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.839 -6.806 12.313 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.251 -8.459 12.722 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.090 -6.073 12.436 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.020 -7.244 13.738 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.842 -7.442 11.695 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.229 -8.853 12.534 1.00 0.00 H new ATOM 506 N PHE A 31 0.521 -6.243 9.489 1.00 0.00 N ATOM 507 CA PHE A 31 0.320 -5.032 8.701 1.00 0.00 C ATOM 508 C PHE A 31 -1.135 -4.570 8.744 1.00 0.00 C ATOM 509 O PHE A 31 -2.007 -5.280 9.246 1.00 0.00 O ATOM 510 CB PHE A 31 0.750 -5.254 7.263 1.00 0.00 C ATOM 511 CG PHE A 31 0.234 -6.536 6.696 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.819 -7.735 7.052 1.00 0.00 C ATOM 513 CD2 PHE A 31 -0.840 -6.545 5.828 1.00 0.00 C ATOM 514 CE1 PHE A 31 0.346 -8.926 6.551 1.00 0.00 C ATOM 515 CE2 PHE A 31 -1.324 -7.733 5.322 1.00 0.00 C ATOM 516 CZ PHE A 31 -0.730 -8.929 5.683 1.00 0.00 C ATOM 0 H PHE A 31 -0.332 -6.763 9.696 1.00 0.00 H new ATOM 0 HA PHE A 31 0.937 -4.249 9.142 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.398 -4.424 6.651 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.839 -5.250 7.209 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.658 -7.738 7.732 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.305 -5.613 5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.814 -9.857 6.835 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.165 -7.730 4.645 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.105 -9.862 5.288 1.00 0.00 H new ATOM 526 N GLU A 32 -1.393 -3.378 8.204 1.00 0.00 N ATOM 527 CA GLU A 32 -2.744 -2.827 8.176 1.00 0.00 C ATOM 528 C GLU A 32 -3.078 -2.279 6.791 1.00 0.00 C ATOM 529 O GLU A 32 -2.342 -1.457 6.243 1.00 0.00 O ATOM 530 CB GLU A 32 -2.891 -1.723 9.225 1.00 0.00 C ATOM 531 CG GLU A 32 -3.900 -2.051 10.314 1.00 0.00 C ATOM 532 CD GLU A 32 -4.032 -0.942 11.339 1.00 0.00 C ATOM 533 OE1 GLU A 32 -3.634 0.202 11.031 1.00 0.00 O ATOM 534 OE2 GLU A 32 -4.535 -1.215 12.449 1.00 0.00 O ATOM 0 H GLU A 32 -0.684 -2.778 7.782 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.443 -3.631 8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.920 -1.538 9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.191 -0.800 8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.873 -2.238 9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.601 -2.971 10.816 1.00 0.00 H new ATOM 541 N PHE A 33 -4.191 -2.742 6.235 1.00 0.00 N ATOM 542 CA PHE A 33 -4.635 -2.311 4.920 1.00 0.00 C ATOM 543 C PHE A 33 -5.535 -1.089 5.019 1.00 0.00 C ATOM 544 O PHE A 33 -6.129 -0.821 6.063 1.00 0.00 O ATOM 545 CB PHE A 33 -5.382 -3.447 4.228 1.00 0.00 C ATOM 546 CG PHE A 33 -5.389 -3.325 2.739 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.231 -3.541 2.020 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.546 -2.983 2.063 1.00 0.00 C ATOM 549 CE1 PHE A 33 -4.222 -3.421 0.645 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.546 -2.857 0.687 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.381 -3.078 -0.024 1.00 0.00 C ATOM 0 H PHE A 33 -4.806 -3.422 6.681 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.756 -2.042 4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.925 -4.397 4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.410 -3.470 4.589 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.322 -3.807 2.539 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.458 -2.813 2.616 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.310 -3.595 0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.454 -2.587 0.168 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.377 -2.983 -1.100 1.00 0.00 H new ATOM 561 N ILE A 34 -5.631 -0.353 3.918 1.00 0.00 N ATOM 562 CA ILE A 34 -6.459 0.839 3.859 1.00 0.00 C ATOM 563 C ILE A 34 -6.964 1.061 2.443 1.00 0.00 C ATOM 564 O ILE A 34 -6.184 1.128 1.493 1.00 0.00 O ATOM 565 CB ILE A 34 -5.691 2.094 4.315 1.00 0.00 C ATOM 566 CG1 ILE A 34 -4.955 1.827 5.628 1.00 0.00 C ATOM 567 CG2 ILE A 34 -6.642 3.270 4.461 1.00 0.00 C ATOM 568 CD1 ILE A 34 -3.946 2.897 5.980 1.00 0.00 C ATOM 0 H ILE A 34 -5.140 -0.566 3.049 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.298 0.679 4.537 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.950 2.342 3.555 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.684 1.746 6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.446 0.866 5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.086 4.150 4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.119 3.474 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.405 3.031 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.461 2.644 6.923 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.196 2.963 5.192 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.453 3.857 6.079 1.00 0.00 H new ATOM 580 N ASN A 35 -8.272 1.173 2.313 1.00 0.00 N ATOM 581 CA ASN A 35 -8.897 1.387 1.015 1.00 0.00 C ATOM 582 C ASN A 35 -8.808 2.853 0.608 1.00 0.00 C ATOM 583 O ASN A 35 -9.381 3.724 1.262 1.00 0.00 O ATOM 584 CB ASN A 35 -10.359 0.941 1.048 1.00 0.00 C ATOM 585 CG ASN A 35 -10.888 0.595 -0.330 1.00 0.00 C ATOM 586 OD1 ASN A 35 -10.128 0.216 -1.221 1.00 0.00 O ATOM 587 ND2 ASN A 35 -12.197 0.723 -0.512 1.00 0.00 N ATOM 0 H ASN A 35 -8.928 1.120 3.092 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.362 0.789 0.277 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.457 0.073 1.700 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.969 1.735 1.480 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.610 0.504 -1.419 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.790 1.041 0.255 1.00 0.00 H new ATOM 594 N ILE A 36 -8.083 3.117 -0.472 1.00 0.00 N ATOM 595 CA ILE A 36 -7.923 4.478 -0.966 1.00 0.00 C ATOM 596 C ILE A 36 -9.147 4.920 -1.762 1.00 0.00 C ATOM 597 O ILE A 36 -9.380 6.116 -1.943 1.00 0.00 O ATOM 598 CB ILE A 36 -6.667 4.615 -1.848 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.789 3.735 -3.096 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.421 4.250 -1.055 1.00 0.00 C ATOM 601 CD1 ILE A 36 -7.193 4.500 -4.337 1.00 0.00 C ATOM 0 H ILE A 36 -7.598 2.408 -1.021 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.811 5.121 -0.093 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.580 5.653 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.834 3.242 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.522 2.951 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.542 4.352 -1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.327 4.916 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.500 3.220 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.260 3.814 -5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.162 4.971 -4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.448 5.267 -4.550 1.00 0.00 H new ATOM 613 N MET A 37 -9.927 3.953 -2.236 1.00 0.00 N ATOM 614 CA MET A 37 -11.122 4.255 -3.009 1.00 0.00 C ATOM 615 C MET A 37 -12.359 3.612 -2.385 1.00 0.00 C ATOM 616 O MET A 37 -12.758 2.511 -2.767 1.00 0.00 O ATOM 617 CB MET A 37 -10.959 3.789 -4.459 1.00 0.00 C ATOM 618 CG MET A 37 -12.230 3.915 -5.286 1.00 0.00 C ATOM 619 SD MET A 37 -11.959 4.721 -6.876 1.00 0.00 S ATOM 620 CE MET A 37 -10.718 3.648 -7.594 1.00 0.00 C ATOM 0 H MET A 37 -9.752 2.958 -2.098 1.00 0.00 H new ATOM 0 HA MET A 37 -11.259 5.336 -3.001 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.168 4.371 -4.932 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.635 2.748 -4.463 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.647 2.922 -5.455 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.971 4.480 -4.720 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.725 3.758 -8.678 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.735 3.919 -7.208 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.937 2.613 -7.333 1.00 0.00 H new ATOM 630 N PRO A 38 -12.985 4.298 -1.412 1.00 0.00 N ATOM 631 CA PRO A 38 -14.183 3.801 -0.733 1.00 0.00 C ATOM 632 C PRO A 38 -15.431 3.888 -1.613 1.00 0.00 C ATOM 633 O PRO A 38 -16.511 3.451 -1.214 1.00 0.00 O ATOM 634 CB PRO A 38 -14.327 4.727 0.488 1.00 0.00 C ATOM 635 CG PRO A 38 -13.087 5.563 0.517 1.00 0.00 C ATOM 636 CD PRO A 38 -12.581 5.608 -0.894 1.00 0.00 C ATOM 0 HA PRO A 38 -14.087 2.747 -0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.217 5.351 0.402 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.430 4.149 1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.302 6.566 0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.341 5.131 1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.028 6.425 -1.461 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.501 5.746 -0.934 1.00 0.00 H new ATOM 644 N GLU A 39 -15.280 4.456 -2.809 1.00 0.00 N ATOM 645 CA GLU A 39 -16.398 4.599 -3.734 1.00 0.00 C ATOM 646 C GLU A 39 -15.957 4.303 -5.164 1.00 0.00 C ATOM 647 O GLU A 39 -14.893 4.743 -5.597 1.00 0.00 O ATOM 648 CB GLU A 39 -16.978 6.013 -3.651 1.00 0.00 C ATOM 649 CG GLU A 39 -18.401 6.121 -4.172 1.00 0.00 C ATOM 650 CD GLU A 39 -19.165 7.270 -3.542 1.00 0.00 C ATOM 651 OE1 GLU A 39 -18.677 8.417 -3.614 1.00 0.00 O ATOM 652 OE2 GLU A 39 -20.251 7.022 -2.977 1.00 0.00 O ATOM 0 H GLU A 39 -14.395 4.823 -3.158 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.168 3.881 -3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.954 6.346 -2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.340 6.692 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.379 6.253 -5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -18.928 5.187 -3.976 1.00 0.00 H new ATOM 659 N LYS A 40 -16.780 3.556 -5.895 1.00 0.00 N ATOM 660 CA LYS A 40 -16.463 3.202 -7.277 1.00 0.00 C ATOM 661 C LYS A 40 -16.406 4.422 -8.182 1.00 0.00 C ATOM 662 O LYS A 40 -15.982 4.342 -9.335 1.00 0.00 O ATOM 663 CB LYS A 40 -17.466 2.183 -7.818 1.00 0.00 C ATOM 664 CG LYS A 40 -16.858 1.190 -8.794 1.00 0.00 C ATOM 665 CD LYS A 40 -17.875 0.154 -9.241 1.00 0.00 C ATOM 666 CE LYS A 40 -18.455 0.496 -10.604 1.00 0.00 C ATOM 667 NZ LYS A 40 -19.758 -0.185 -10.841 1.00 0.00 N ATOM 0 H LYS A 40 -17.668 3.185 -5.556 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.470 2.752 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.903 1.637 -6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.280 2.714 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.473 1.722 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -16.010 0.690 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.403 -0.828 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.679 0.091 -8.507 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.590 1.575 -10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -17.748 0.208 -11.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.119 0.075 -11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.625 -1.215 -10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.441 0.110 -10.114 1.00 0.00 H new ATOM 681 N GLY A 41 -16.820 5.544 -7.642 1.00 0.00 N ATOM 682 CA GLY A 41 -16.807 6.790 -8.387 1.00 0.00 C ATOM 683 C GLY A 41 -15.454 7.470 -8.329 1.00 0.00 C ATOM 684 O GLY A 41 -14.784 7.628 -9.349 1.00 0.00 O ATOM 0 H GLY A 41 -17.171 5.624 -6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.070 6.594 -9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.567 7.460 -7.986 1.00 0.00 H new ATOM 688 N VAL A 42 -15.051 7.860 -7.125 1.00 0.00 N ATOM 689 CA VAL A 42 -13.767 8.518 -6.921 1.00 0.00 C ATOM 690 C VAL A 42 -13.144 8.088 -5.598 1.00 0.00 C ATOM 691 O VAL A 42 -13.853 7.827 -4.626 1.00 0.00 O ATOM 692 CB VAL A 42 -13.910 10.052 -6.931 1.00 0.00 C ATOM 693 CG1 VAL A 42 -12.542 10.715 -6.917 1.00 0.00 C ATOM 694 CG2 VAL A 42 -14.720 10.506 -8.136 1.00 0.00 C ATOM 0 H VAL A 42 -15.597 7.731 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.121 8.218 -7.746 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.444 10.355 -6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.663 11.798 -6.924 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.002 10.416 -6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.979 10.407 -7.798 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.810 11.592 -8.126 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.218 10.192 -9.051 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.713 10.059 -8.096 1.00 0.00 H new ATOM 704 N PHE A 43 -11.817 8.014 -5.561 1.00 0.00 N ATOM 705 CA PHE A 43 -11.122 7.609 -4.341 1.00 0.00 C ATOM 706 C PHE A 43 -11.177 8.705 -3.284 1.00 0.00 C ATOM 707 O PHE A 43 -11.576 9.835 -3.564 1.00 0.00 O ATOM 708 CB PHE A 43 -9.660 7.221 -4.615 1.00 0.00 C ATOM 709 CG PHE A 43 -9.062 7.863 -5.833 1.00 0.00 C ATOM 710 CD1 PHE A 43 -8.411 9.082 -5.741 1.00 0.00 C ATOM 711 CD2 PHE A 43 -9.149 7.242 -7.067 1.00 0.00 C ATOM 712 CE1 PHE A 43 -7.858 9.672 -6.862 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.598 7.827 -8.191 1.00 0.00 C ATOM 714 CZ PHE A 43 -7.952 9.044 -8.089 1.00 0.00 C ATOM 0 H PHE A 43 -11.207 8.226 -6.350 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.642 6.729 -3.963 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.058 7.488 -3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.599 6.138 -4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.335 9.576 -4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.653 6.290 -7.152 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.353 10.623 -6.779 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.672 7.333 -9.149 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.521 9.503 -8.966 1.00 0.00 H new ATOM 724 N ASP A 44 -10.779 8.358 -2.063 1.00 0.00 N ATOM 725 CA ASP A 44 -10.789 9.303 -0.952 1.00 0.00 C ATOM 726 C ASP A 44 -9.501 10.123 -0.904 1.00 0.00 C ATOM 727 O ASP A 44 -8.409 9.575 -0.761 1.00 0.00 O ATOM 728 CB ASP A 44 -10.978 8.560 0.374 1.00 0.00 C ATOM 729 CG ASP A 44 -11.856 9.325 1.344 1.00 0.00 C ATOM 730 OD1 ASP A 44 -13.091 9.145 1.297 1.00 0.00 O ATOM 731 OD2 ASP A 44 -11.309 10.105 2.152 1.00 0.00 O ATOM 0 H ASP A 44 -10.445 7.426 -1.818 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.623 9.987 -1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.421 7.583 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.004 8.384 0.831 1.00 0.00 H new ATOM 736 N ASP A 45 -9.641 11.441 -1.017 1.00 0.00 N ATOM 737 CA ASP A 45 -8.491 12.342 -0.982 1.00 0.00 C ATOM 738 C ASP A 45 -7.975 12.520 0.445 1.00 0.00 C ATOM 739 O ASP A 45 -6.833 12.929 0.652 1.00 0.00 O ATOM 740 CB ASP A 45 -8.868 13.703 -1.570 1.00 0.00 C ATOM 741 CG ASP A 45 -7.695 14.386 -2.247 1.00 0.00 C ATOM 742 OD1 ASP A 45 -6.562 14.264 -1.735 1.00 0.00 O ATOM 743 OD2 ASP A 45 -7.910 15.042 -3.287 1.00 0.00 O ATOM 0 H ASP A 45 -10.539 11.910 -1.134 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.697 11.897 -1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.675 13.573 -2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.250 14.345 -0.776 1.00 0.00 H new ATOM 748 N GLU A 46 -8.819 12.212 1.428 1.00 0.00 N ATOM 749 CA GLU A 46 -8.437 12.339 2.830 1.00 0.00 C ATOM 750 C GLU A 46 -7.280 11.402 3.155 1.00 0.00 C ATOM 751 O GLU A 46 -6.210 11.840 3.582 1.00 0.00 O ATOM 752 CB GLU A 46 -9.628 12.035 3.738 1.00 0.00 C ATOM 753 CG GLU A 46 -10.870 12.847 3.406 1.00 0.00 C ATOM 754 CD GLU A 46 -11.893 12.833 4.526 1.00 0.00 C ATOM 755 OE1 GLU A 46 -12.155 11.744 5.078 1.00 0.00 O ATOM 756 OE2 GLU A 46 -12.430 13.913 4.851 1.00 0.00 O ATOM 0 H GLU A 46 -9.770 11.874 1.278 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.116 13.366 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.868 10.974 3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.344 12.228 4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.581 13.877 3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.326 12.452 2.498 1.00 0.00 H new ATOM 763 N LYS A 47 -7.500 10.110 2.940 1.00 0.00 N ATOM 764 CA LYS A 47 -6.471 9.112 3.198 1.00 0.00 C ATOM 765 C LYS A 47 -5.287 9.328 2.265 1.00 0.00 C ATOM 766 O LYS A 47 -4.130 9.221 2.671 1.00 0.00 O ATOM 767 CB LYS A 47 -7.035 7.701 3.017 1.00 0.00 C ATOM 768 CG LYS A 47 -8.183 7.379 3.958 1.00 0.00 C ATOM 769 CD LYS A 47 -7.707 6.600 5.172 1.00 0.00 C ATOM 770 CE LYS A 47 -6.737 7.415 6.012 1.00 0.00 C ATOM 771 NZ LYS A 47 -6.310 6.683 7.237 1.00 0.00 N ATOM 0 H LYS A 47 -8.379 9.731 2.589 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.133 9.220 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.376 7.584 1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.235 6.977 3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.659 8.304 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.939 6.800 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.565 6.313 5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.224 5.678 4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.860 7.664 5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.206 8.356 6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.649 7.273 7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.143 6.467 7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.839 5.797 6.965 1.00 0.00 H new ATOM 785 N ILE A 48 -5.592 9.647 1.012 1.00 0.00 N ATOM 786 CA ILE A 48 -4.563 9.896 0.012 1.00 0.00 C ATOM 787 C ILE A 48 -3.758 11.142 0.370 1.00 0.00 C ATOM 788 O ILE A 48 -2.566 11.228 0.079 1.00 0.00 O ATOM 789 CB ILE A 48 -5.189 10.072 -1.389 1.00 0.00 C ATOM 790 CG1 ILE A 48 -5.776 8.748 -1.879 1.00 0.00 C ATOM 791 CG2 ILE A 48 -4.164 10.601 -2.384 1.00 0.00 C ATOM 792 CD1 ILE A 48 -6.861 8.918 -2.919 1.00 0.00 C ATOM 0 H ILE A 48 -6.547 9.739 0.665 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.898 9.032 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.993 10.804 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.976 8.137 -2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.182 8.202 -1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.632 10.715 -3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.792 11.568 -2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.334 9.899 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.232 7.939 -3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -7.680 9.502 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.454 9.436 -3.788 1.00 0.00 H new ATOM 804 N ALA A 49 -4.421 12.105 1.004 1.00 0.00 N ATOM 805 CA ALA A 49 -3.769 13.345 1.402 1.00 0.00 C ATOM 806 C ALA A 49 -2.617 13.067 2.359 1.00 0.00 C ATOM 807 O ALA A 49 -1.509 13.572 2.177 1.00 0.00 O ATOM 808 CB ALA A 49 -4.777 14.290 2.042 1.00 0.00 C ATOM 0 H ALA A 49 -5.409 12.049 1.252 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.362 13.821 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.276 15.213 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.567 14.517 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.210 13.817 2.923 1.00 0.00 H new ATOM 814 N GLU A 50 -2.885 12.256 3.377 1.00 0.00 N ATOM 815 CA GLU A 50 -1.867 11.903 4.359 1.00 0.00 C ATOM 816 C GLU A 50 -0.703 11.187 3.683 1.00 0.00 C ATOM 817 O GLU A 50 0.458 11.389 4.040 1.00 0.00 O ATOM 818 CB GLU A 50 -2.471 11.016 5.452 1.00 0.00 C ATOM 819 CG GLU A 50 -1.435 10.360 6.354 1.00 0.00 C ATOM 820 CD GLU A 50 -1.716 10.582 7.828 1.00 0.00 C ATOM 821 OE1 GLU A 50 -1.859 11.754 8.235 1.00 0.00 O ATOM 822 OE2 GLU A 50 -1.792 9.584 8.575 1.00 0.00 O ATOM 0 H GLU A 50 -3.797 11.831 3.543 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.493 12.819 4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.143 11.617 6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.075 10.239 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.408 9.289 6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.448 10.755 6.113 1.00 0.00 H new ATOM 829 N LEU A 51 -1.024 10.354 2.697 1.00 0.00 N ATOM 830 CA LEU A 51 -0.016 9.606 1.962 1.00 0.00 C ATOM 831 C LEU A 51 0.966 10.572 1.305 1.00 0.00 C ATOM 832 O LEU A 51 2.168 10.527 1.564 1.00 0.00 O ATOM 833 CB LEU A 51 -0.705 8.731 0.910 1.00 0.00 C ATOM 834 CG LEU A 51 0.091 7.524 0.422 1.00 0.00 C ATOM 835 CD1 LEU A 51 -0.699 6.757 -0.627 1.00 0.00 C ATOM 836 CD2 LEU A 51 1.434 7.941 -0.134 1.00 0.00 C ATOM 0 H LEU A 51 -1.981 10.181 2.389 1.00 0.00 H new ATOM 0 HA LEU A 51 0.541 8.964 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.649 8.376 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.947 9.354 0.049 1.00 0.00 H new ATOM 0 HG LEU A 51 0.268 6.872 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.118 5.899 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.638 6.411 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.908 7.410 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.977 7.059 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.285 8.621 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.009 8.444 0.643 1.00 0.00 H new ATOM 848 N LEU A 52 0.431 11.464 0.472 1.00 0.00 N ATOM 849 CA LEU A 52 1.225 12.468 -0.221 1.00 0.00 C ATOM 850 C LEU A 52 2.206 13.160 0.717 1.00 0.00 C ATOM 851 O LEU A 52 3.369 13.375 0.379 1.00 0.00 O ATOM 852 CB LEU A 52 0.300 13.479 -0.839 1.00 0.00 C ATOM 853 CG LEU A 52 -0.449 12.932 -2.035 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.447 13.941 -2.498 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.517 12.570 -3.149 1.00 0.00 C ATOM 0 H LEU A 52 -0.566 11.508 0.261 1.00 0.00 H new ATOM 0 HA LEU A 52 1.812 11.972 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.417 13.815 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.876 14.353 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.976 12.022 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.988 13.549 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.151 14.152 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.932 14.859 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.040 12.178 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.070 13.458 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.216 11.813 -2.793 1.00 0.00 H new ATOM 867 N THR A 53 1.717 13.506 1.898 1.00 0.00 N ATOM 868 CA THR A 53 2.535 14.175 2.903 1.00 0.00 C ATOM 869 C THR A 53 3.571 13.220 3.494 1.00 0.00 C ATOM 870 O THR A 53 4.642 13.642 3.932 1.00 0.00 O ATOM 871 CB THR A 53 1.652 14.739 4.017 1.00 0.00 C ATOM 872 OG1 THR A 53 0.671 15.612 3.485 1.00 0.00 O ATOM 873 CG2 THR A 53 2.428 15.505 5.067 1.00 0.00 C ATOM 0 H THR A 53 0.754 13.334 2.187 1.00 0.00 H new ATOM 0 HA THR A 53 3.062 14.994 2.415 1.00 0.00 H new ATOM 0 HB THR A 53 1.194 13.871 4.490 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.047 15.086 3.075 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.741 15.878 5.827 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.160 14.845 5.532 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.942 16.345 4.599 1.00 0.00 H new ATOM 881 N LYS A 54 3.239 11.933 3.512 1.00 0.00 N ATOM 882 CA LYS A 54 4.130 10.915 4.062 1.00 0.00 C ATOM 883 C LYS A 54 5.413 10.789 3.243 1.00 0.00 C ATOM 884 O LYS A 54 6.508 10.707 3.800 1.00 0.00 O ATOM 885 CB LYS A 54 3.416 9.563 4.118 1.00 0.00 C ATOM 886 CG LYS A 54 3.848 8.697 5.289 1.00 0.00 C ATOM 887 CD LYS A 54 2.887 7.540 5.510 1.00 0.00 C ATOM 888 CE LYS A 54 1.671 7.970 6.314 1.00 0.00 C ATOM 889 NZ LYS A 54 1.874 7.774 7.776 1.00 0.00 N ATOM 0 H LYS A 54 2.357 11.569 3.151 1.00 0.00 H new ATOM 0 HA LYS A 54 4.403 11.225 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.341 9.731 4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.603 9.024 3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.850 8.309 5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.901 9.305 6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.566 7.144 4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.402 6.733 6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.457 9.020 6.115 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.801 7.400 5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.022 8.079 8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.053 6.768 7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.689 8.338 8.092 1.00 0.00 H new ATOM 903 N LEU A 55 5.275 10.758 1.921 1.00 0.00 N ATOM 904 CA LEU A 55 6.431 10.627 1.039 1.00 0.00 C ATOM 905 C LEU A 55 7.411 11.777 1.243 1.00 0.00 C ATOM 906 O LEU A 55 8.547 11.573 1.670 1.00 0.00 O ATOM 907 CB LEU A 55 6.002 10.569 -0.421 1.00 0.00 C ATOM 908 CG LEU A 55 4.800 9.676 -0.683 1.00 0.00 C ATOM 909 CD1 LEU A 55 3.554 10.517 -0.731 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.971 8.898 -1.970 1.00 0.00 C ATOM 0 H LEU A 55 4.379 10.821 1.438 1.00 0.00 H new ATOM 0 HA LEU A 55 6.930 9.693 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.771 11.579 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.841 10.215 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 55 4.714 8.953 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.691 9.878 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.425 11.031 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.642 11.252 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.097 8.267 -2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.078 9.592 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.861 8.273 -1.902 1.00 0.00 H new ATOM 922 N GLY A 56 6.958 12.988 0.933 1.00 0.00 N ATOM 923 CA GLY A 56 7.797 14.161 1.086 1.00 0.00 C ATOM 924 C GLY A 56 6.987 15.442 1.121 1.00 0.00 C ATOM 925 O GLY A 56 6.220 15.672 2.055 1.00 0.00 O ATOM 0 H GLY A 56 6.021 13.177 0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.377 14.074 2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.510 14.206 0.263 1.00 0.00 H new ATOM 929 N ARG A 57 7.153 16.277 0.100 1.00 0.00 N ATOM 930 CA ARG A 57 6.423 17.538 0.022 1.00 0.00 C ATOM 931 C ARG A 57 6.190 17.946 -1.427 1.00 0.00 C ATOM 932 O ARG A 57 6.099 19.132 -1.745 1.00 0.00 O ATOM 933 CB ARG A 57 7.178 18.639 0.766 1.00 0.00 C ATOM 934 CG ARG A 57 8.497 19.021 0.110 1.00 0.00 C ATOM 935 CD ARG A 57 9.653 18.959 1.097 1.00 0.00 C ATOM 936 NE ARG A 57 10.949 18.972 0.422 1.00 0.00 N ATOM 937 CZ ARG A 57 12.080 18.547 0.981 1.00 0.00 C ATOM 938 NH1 ARG A 57 12.081 18.079 2.223 1.00 0.00 N ATOM 939 NH2 ARG A 57 13.215 18.591 0.295 1.00 0.00 N ATOM 0 H ARG A 57 7.784 16.104 -0.682 1.00 0.00 H new ATOM 0 HA ARG A 57 5.452 17.395 0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.544 19.523 0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.371 18.310 1.787 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.696 18.351 -0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.422 20.028 -0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.592 19.805 1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.567 18.055 1.700 1.00 0.00 H new ATOM 0 HE ARG A 57 10.989 19.327 -0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.212 18.043 2.755 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.951 17.755 2.645 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.220 18.950 -0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.082 18.266 0.722 1.00 0.00 H new ATOM 953 N ASP A 58 6.088 16.953 -2.300 1.00 0.00 N ATOM 954 CA ASP A 58 5.858 17.189 -3.714 1.00 0.00 C ATOM 955 C ASP A 58 4.572 16.497 -4.165 1.00 0.00 C ATOM 956 O ASP A 58 3.675 16.250 -3.360 1.00 0.00 O ATOM 957 CB ASP A 58 7.057 16.689 -4.531 1.00 0.00 C ATOM 958 CG ASP A 58 8.385 17.073 -3.907 1.00 0.00 C ATOM 959 OD1 ASP A 58 8.683 18.284 -3.842 1.00 0.00 O ATOM 960 OD2 ASP A 58 9.127 16.161 -3.484 1.00 0.00 O ATOM 0 H ASP A 58 6.162 15.968 -2.047 1.00 0.00 H new ATOM 0 HA ASP A 58 5.746 18.260 -3.881 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.003 15.604 -4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.001 17.098 -5.540 1.00 0.00 H new ATOM 965 N THR A 59 4.497 16.181 -5.449 1.00 0.00 N ATOM 966 CA THR A 59 3.331 15.508 -6.011 1.00 0.00 C ATOM 967 C THR A 59 3.728 14.179 -6.644 1.00 0.00 C ATOM 968 O THR A 59 4.911 13.921 -6.871 1.00 0.00 O ATOM 969 CB THR A 59 2.651 16.400 -7.053 1.00 0.00 C ATOM 970 OG1 THR A 59 1.725 15.655 -7.823 1.00 0.00 O ATOM 971 CG2 THR A 59 3.624 17.054 -8.010 1.00 0.00 C ATOM 0 H THR A 59 5.233 16.380 -6.126 1.00 0.00 H new ATOM 0 HA THR A 59 2.629 15.312 -5.201 1.00 0.00 H new ATOM 0 HB THR A 59 2.151 17.181 -6.481 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.300 16.243 -8.482 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.075 17.672 -8.721 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.321 17.677 -7.450 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.177 16.285 -8.549 1.00 0.00 H new ATOM 979 N GLN A 60 2.738 13.340 -6.934 1.00 0.00 N ATOM 980 CA GLN A 60 2.994 12.039 -7.548 1.00 0.00 C ATOM 981 C GLN A 60 2.321 11.937 -8.912 1.00 0.00 C ATOM 982 O GLN A 60 1.127 11.658 -9.009 1.00 0.00 O ATOM 983 CB GLN A 60 2.490 10.913 -6.647 1.00 0.00 C ATOM 984 CG GLN A 60 2.940 11.039 -5.201 1.00 0.00 C ATOM 985 CD GLN A 60 2.900 9.714 -4.465 1.00 0.00 C ATOM 986 OE1 GLN A 60 3.878 8.968 -4.454 1.00 0.00 O ATOM 987 NE2 GLN A 60 1.763 9.413 -3.849 1.00 0.00 N ATOM 0 H GLN A 60 1.753 13.536 -6.755 1.00 0.00 H new ATOM 0 HA GLN A 60 4.072 11.941 -7.679 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.401 10.894 -6.679 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.837 9.959 -7.044 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.954 11.437 -5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.302 11.757 -4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.977 10.062 -3.884 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.676 8.533 -3.341 1.00 0.00 H new ATOM 996 N ILE A 61 3.102 12.154 -9.963 1.00 0.00 N ATOM 997 CA ILE A 61 2.590 12.082 -11.327 1.00 0.00 C ATOM 998 C ILE A 61 2.510 10.640 -11.809 1.00 0.00 C ATOM 999 O ILE A 61 3.425 10.143 -12.466 1.00 0.00 O ATOM 1000 CB ILE A 61 3.467 12.889 -12.303 1.00 0.00 C ATOM 1001 CG1 ILE A 61 3.747 14.283 -11.739 1.00 0.00 C ATOM 1002 CG2 ILE A 61 2.792 12.988 -13.663 1.00 0.00 C ATOM 1003 CD1 ILE A 61 2.494 15.080 -11.450 1.00 0.00 C ATOM 0 H ILE A 61 4.094 12.382 -9.897 1.00 0.00 H new ATOM 0 HA ILE A 61 1.589 12.513 -11.310 1.00 0.00 H new ATOM 0 HB ILE A 61 4.418 12.371 -12.427 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.326 14.185 -10.821 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.364 14.836 -12.447 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.424 13.561 -14.342 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.639 11.987 -14.067 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.829 13.487 -13.556 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.768 16.057 -11.053 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.925 15.209 -12.370 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.885 14.549 -10.718 1.00 0.00 H new ATOM 1015 N GLY A 62 1.411 9.973 -11.482 1.00 0.00 N ATOM 1016 CA GLY A 62 1.233 8.594 -11.890 1.00 0.00 C ATOM 1017 C GLY A 62 1.311 7.633 -10.722 1.00 0.00 C ATOM 1018 O GLY A 62 1.724 6.484 -10.882 1.00 0.00 O ATOM 0 H GLY A 62 0.639 10.363 -10.941 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.267 8.485 -12.383 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.996 8.333 -12.623 1.00 0.00 H new ATOM 1022 N LEU A 63 0.917 8.106 -9.544 1.00 0.00 N ATOM 1023 CA LEU A 63 0.941 7.279 -8.342 1.00 0.00 C ATOM 1024 C LEU A 63 0.208 5.962 -8.576 1.00 0.00 C ATOM 1025 O LEU A 63 -0.906 5.945 -9.101 1.00 0.00 O ATOM 1026 CB LEU A 63 0.313 8.032 -7.167 1.00 0.00 C ATOM 1027 CG LEU A 63 0.526 7.391 -5.794 1.00 0.00 C ATOM 1028 CD1 LEU A 63 -0.335 6.145 -5.648 1.00 0.00 C ATOM 1029 CD2 LEU A 63 1.995 7.056 -5.582 1.00 0.00 C ATOM 0 H LEU A 63 0.578 9.056 -9.396 1.00 0.00 H new ATOM 0 HA LEU A 63 1.980 7.055 -8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.720 9.043 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.758 8.123 -7.345 1.00 0.00 H new ATOM 0 HG LEU A 63 0.225 8.107 -5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.171 5.702 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.386 6.415 -5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.066 5.424 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.126 6.601 -4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.324 6.358 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.589 7.968 -5.642 1.00 0.00 H new ATOM 1041 N THR A 64 0.844 4.859 -8.195 1.00 0.00 N ATOM 1042 CA THR A 64 0.253 3.539 -8.377 1.00 0.00 C ATOM 1043 C THR A 64 0.004 2.845 -7.041 1.00 0.00 C ATOM 1044 O THR A 64 0.693 3.097 -6.053 1.00 0.00 O ATOM 1045 CB THR A 64 1.159 2.673 -9.253 1.00 0.00 C ATOM 1046 OG1 THR A 64 2.521 2.883 -8.926 1.00 0.00 O ATOM 1047 CG2 THR A 64 0.995 2.943 -10.733 1.00 0.00 C ATOM 0 H THR A 64 1.766 4.853 -7.759 1.00 0.00 H new ATOM 0 HA THR A 64 -0.710 3.672 -8.870 1.00 0.00 H new ATOM 0 HB THR A 64 0.859 1.645 -9.052 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.085 2.319 -9.496 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.666 2.296 -11.297 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.035 2.743 -11.027 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.236 3.985 -10.942 1.00 0.00 H new ATOM 1055 N MET A 65 -0.988 1.960 -7.029 1.00 0.00 N ATOM 1056 CA MET A 65 -1.339 1.214 -5.830 1.00 0.00 C ATOM 1057 C MET A 65 -1.128 -0.279 -6.051 1.00 0.00 C ATOM 1058 O MET A 65 -1.089 -0.744 -7.189 1.00 0.00 O ATOM 1059 CB MET A 65 -2.793 1.487 -5.443 1.00 0.00 C ATOM 1060 CG MET A 65 -2.990 2.801 -4.704 1.00 0.00 C ATOM 1061 SD MET A 65 -2.895 4.232 -5.796 1.00 0.00 S ATOM 1062 CE MET A 65 -4.585 4.325 -6.382 1.00 0.00 C ATOM 0 H MET A 65 -1.565 1.743 -7.842 1.00 0.00 H new ATOM 0 HA MET A 65 -0.691 1.541 -5.017 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.405 1.492 -6.345 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.153 0.670 -4.817 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.960 2.792 -4.207 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.233 2.892 -3.925 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.605 4.167 -7.460 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.183 3.557 -5.892 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.997 5.308 -6.151 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.975 -1.054 -4.965 1.00 0.00 N ATOM 1073 CA PRO A 66 -1.011 -0.559 -3.592 1.00 0.00 C ATOM 1074 C PRO A 66 0.351 -0.075 -3.103 1.00 0.00 C ATOM 1075 O PRO A 66 1.363 -0.751 -3.286 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.454 -1.792 -2.786 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.568 -2.910 -3.776 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.772 -2.495 -4.977 1.00 0.00 C ATOM 0 HA PRO A 66 -1.670 0.303 -3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.729 -2.031 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.407 -1.612 -2.289 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.183 -3.840 -3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.610 -3.088 -4.043 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.281 -2.763 -4.886 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.140 -2.955 -5.894 1.00 0.00 H new ATOM 1086 N GLN A 67 0.363 1.086 -2.454 1.00 0.00 N ATOM 1087 CA GLN A 67 1.596 1.644 -1.916 1.00 0.00 C ATOM 1088 C GLN A 67 1.773 1.208 -0.468 1.00 0.00 C ATOM 1089 O GLN A 67 0.812 1.168 0.295 1.00 0.00 O ATOM 1090 CB GLN A 67 1.573 3.170 -2.008 1.00 0.00 C ATOM 1091 CG GLN A 67 2.951 3.791 -2.161 1.00 0.00 C ATOM 1092 CD GLN A 67 3.554 3.547 -3.530 1.00 0.00 C ATOM 1093 OE1 GLN A 67 3.617 2.411 -4.000 1.00 0.00 O ATOM 1094 NE2 GLN A 67 4.000 4.616 -4.180 1.00 0.00 N ATOM 0 H GLN A 67 -0.466 1.656 -2.289 1.00 0.00 H new ATOM 0 HA GLN A 67 2.436 1.274 -2.504 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.955 3.465 -2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.100 3.573 -1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.883 4.864 -1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.615 3.384 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.928 5.539 -3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.415 4.513 -5.106 1.00 0.00 H new ATOM 1103 N VAL A 68 2.995 0.866 -0.087 1.00 0.00 N ATOM 1104 CA VAL A 68 3.249 0.425 1.276 1.00 0.00 C ATOM 1105 C VAL A 68 4.014 1.473 2.070 1.00 0.00 C ATOM 1106 O VAL A 68 4.693 2.328 1.502 1.00 0.00 O ATOM 1107 CB VAL A 68 4.022 -0.910 1.320 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.920 -1.534 2.703 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.503 -1.874 0.261 1.00 0.00 C ATOM 0 H VAL A 68 3.815 0.885 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 68 2.270 0.275 1.732 1.00 0.00 H new ATOM 0 HB VAL A 68 5.071 -0.704 1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.470 -2.475 2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.344 -0.853 3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.873 -1.722 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.064 -2.807 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.447 -2.075 0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.627 -1.430 -0.727 1.00 0.00 H new ATOM 1119 N PHE A 69 3.897 1.396 3.392 1.00 0.00 N ATOM 1120 CA PHE A 69 4.579 2.334 4.275 1.00 0.00 C ATOM 1121 C PHE A 69 5.042 1.637 5.551 1.00 0.00 C ATOM 1122 O PHE A 69 4.344 0.778 6.089 1.00 0.00 O ATOM 1123 CB PHE A 69 3.654 3.501 4.623 1.00 0.00 C ATOM 1124 CG PHE A 69 3.660 4.575 3.580 1.00 0.00 C ATOM 1125 CD1 PHE A 69 2.867 4.464 2.451 1.00 0.00 C ATOM 1126 CD2 PHE A 69 4.473 5.687 3.720 1.00 0.00 C ATOM 1127 CE1 PHE A 69 2.885 5.444 1.475 1.00 0.00 C ATOM 1128 CE2 PHE A 69 4.494 6.672 2.751 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.700 6.551 1.626 1.00 0.00 C ATOM 0 H PHE A 69 3.336 0.694 3.875 1.00 0.00 H new ATOM 0 HA PHE A 69 5.455 2.718 3.753 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.637 3.128 4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.958 3.927 5.579 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.227 3.602 2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.097 5.786 4.596 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.264 5.345 0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.131 7.536 2.873 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.716 7.319 0.867 1.00 0.00 H new ATOM 1139 N ALA A 70 6.228 2.006 6.023 1.00 0.00 N ATOM 1140 CA ALA A 70 6.791 1.410 7.230 1.00 0.00 C ATOM 1141 C ALA A 70 5.826 1.527 8.411 1.00 0.00 C ATOM 1142 O ALA A 70 5.068 2.490 8.511 1.00 0.00 O ATOM 1143 CB ALA A 70 8.121 2.067 7.569 1.00 0.00 C ATOM 0 H ALA A 70 6.818 2.715 5.588 1.00 0.00 H new ATOM 0 HA ALA A 70 6.956 0.350 7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.531 1.614 8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.818 1.925 6.743 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.968 3.133 7.736 1.00 0.00 H new ATOM 1149 N PRO A 71 5.854 0.546 9.332 1.00 0.00 N ATOM 1150 CA PRO A 71 4.988 0.540 10.517 1.00 0.00 C ATOM 1151 C PRO A 71 5.338 1.661 11.493 1.00 0.00 C ATOM 1152 O PRO A 71 4.566 1.969 12.401 1.00 0.00 O ATOM 1153 CB PRO A 71 5.239 -0.830 11.158 1.00 0.00 C ATOM 1154 CG PRO A 71 6.006 -1.620 10.150 1.00 0.00 C ATOM 1155 CD PRO A 71 6.739 -0.626 9.302 1.00 0.00 C ATOM 0 HA PRO A 71 3.944 0.705 10.252 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.802 -0.730 12.086 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.299 -1.323 11.407 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.702 -2.302 10.639 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.336 -2.229 9.543 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.725 -0.398 9.707 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.889 -0.993 8.287 1.00 0.00 H new ATOM 1163 N ASP A 72 6.506 2.270 11.297 1.00 0.00 N ATOM 1164 CA ASP A 72 6.956 3.358 12.158 1.00 0.00 C ATOM 1165 C ASP A 72 6.742 4.715 11.489 1.00 0.00 C ATOM 1166 O ASP A 72 6.681 5.744 12.161 1.00 0.00 O ATOM 1167 CB ASP A 72 8.432 3.175 12.510 1.00 0.00 C ATOM 1168 CG ASP A 72 8.652 2.985 13.998 1.00 0.00 C ATOM 1169 OD1 ASP A 72 8.165 1.973 14.545 1.00 0.00 O ATOM 1170 OD2 ASP A 72 9.309 3.848 14.617 1.00 0.00 O ATOM 0 H ASP A 72 7.156 2.027 10.550 1.00 0.00 H new ATOM 0 HA ASP A 72 6.363 3.332 13.072 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.826 2.312 11.974 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.994 4.045 12.170 1.00 0.00 H new ATOM 1175 N GLY A 73 6.631 4.714 10.162 1.00 0.00 N ATOM 1176 CA GLY A 73 6.426 5.953 9.438 1.00 0.00 C ATOM 1177 C GLY A 73 7.484 6.193 8.379 1.00 0.00 C ATOM 1178 O GLY A 73 8.504 6.829 8.643 1.00 0.00 O ATOM 0 H GLY A 73 6.680 3.879 9.579 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.443 5.935 8.967 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.427 6.785 10.142 1.00 0.00 H new ATOM 1182 N SER A 74 7.242 5.683 7.174 1.00 0.00 N ATOM 1183 CA SER A 74 8.179 5.846 6.067 1.00 0.00 C ATOM 1184 C SER A 74 7.659 5.151 4.812 1.00 0.00 C ATOM 1185 O SER A 74 6.825 4.252 4.894 1.00 0.00 O ATOM 1186 CB SER A 74 9.553 5.287 6.441 1.00 0.00 C ATOM 1187 OG SER A 74 10.370 6.287 7.023 1.00 0.00 O ATOM 0 H SER A 74 6.403 5.152 6.940 1.00 0.00 H new ATOM 0 HA SER A 74 8.276 6.912 5.861 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.434 4.459 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.040 4.887 5.552 1.00 0.00 H new ATOM 0 HG SER A 74 10.088 6.443 7.948 1.00 0.00 H new ATOM 1193 N HIS A 75 8.159 5.575 3.656 1.00 0.00 N ATOM 1194 CA HIS A 75 7.745 4.994 2.381 1.00 0.00 C ATOM 1195 C HIS A 75 8.640 3.821 2.000 1.00 0.00 C ATOM 1196 O HIS A 75 9.865 3.909 2.080 1.00 0.00 O ATOM 1197 CB HIS A 75 7.782 6.057 1.281 1.00 0.00 C ATOM 1198 CG HIS A 75 6.934 5.719 0.095 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.136 6.237 -1.166 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.860 4.896 -0.007 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.200 5.725 -1.975 1.00 0.00 C ATOM 1202 NE2 HIS A 75 5.402 4.904 -1.321 1.00 0.00 N ATOM 0 H HIS A 75 8.852 6.319 3.574 1.00 0.00 H new ATOM 0 HA HIS A 75 6.725 4.626 2.491 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.450 7.009 1.695 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.813 6.194 0.954 1.00 0.00 H new ATOM 0 HD1 HIS A 75 7.868 6.894 -1.435 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.429 4.326 0.803 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.110 5.955 -3.026 1.00 0.00 H new ATOM 1210 N ILE A 76 8.019 2.723 1.584 1.00 0.00 N ATOM 1211 CA ILE A 76 8.758 1.529 1.185 1.00 0.00 C ATOM 1212 C ILE A 76 8.523 1.208 -0.287 1.00 0.00 C ATOM 1213 O ILE A 76 9.464 0.916 -1.025 1.00 0.00 O ATOM 1214 CB ILE A 76 8.360 0.307 2.037 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.458 0.641 3.525 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.239 -0.887 1.698 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.568 -0.221 4.392 1.00 0.00 C ATOM 0 H ILE A 76 7.005 2.634 1.514 1.00 0.00 H new ATOM 0 HA ILE A 76 9.815 1.742 1.346 1.00 0.00 H new ATOM 0 HB ILE A 76 7.326 0.047 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.492 0.524 3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.194 1.688 3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.944 -1.741 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.122 -1.137 0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.282 -0.640 1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.686 0.069 5.436 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.528 -0.086 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.847 -1.268 4.272 1.00 0.00 H new ATOM 1229 N GLY A 77 7.263 1.264 -0.709 1.00 0.00 N ATOM 1230 CA GLY A 77 6.937 0.978 -2.096 1.00 0.00 C ATOM 1231 C GLY A 77 5.948 -0.160 -2.250 1.00 0.00 C ATOM 1232 O GLY A 77 5.124 -0.405 -1.370 1.00 0.00 O ATOM 0 H GLY A 77 6.465 1.501 -0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.525 1.875 -2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.852 0.732 -2.635 1.00 0.00 H new ATOM 1236 N GLY A 78 6.028 -0.847 -3.383 1.00 0.00 N ATOM 1237 CA GLY A 78 5.130 -1.959 -3.652 1.00 0.00 C ATOM 1238 C GLY A 78 5.739 -3.301 -3.287 1.00 0.00 C ATOM 1239 O GLY A 78 6.267 -3.467 -2.191 1.00 0.00 O ATOM 0 H GLY A 78 6.701 -0.654 -4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.206 -1.819 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.865 -1.960 -4.709 1.00 0.00 H new ATOM 1243 N PHE A 79 5.663 -4.261 -4.206 1.00 0.00 N ATOM 1244 CA PHE A 79 6.213 -5.594 -3.971 1.00 0.00 C ATOM 1245 C PHE A 79 7.729 -5.597 -4.132 1.00 0.00 C ATOM 1246 O PHE A 79 8.456 -5.728 -3.150 1.00 0.00 O ATOM 1247 CB PHE A 79 5.572 -6.610 -4.917 1.00 0.00 C ATOM 1248 CG PHE A 79 5.646 -8.029 -4.423 1.00 0.00 C ATOM 1249 CD1 PHE A 79 6.795 -8.506 -3.815 1.00 0.00 C ATOM 1250 CD2 PHE A 79 4.573 -8.889 -4.579 1.00 0.00 C ATOM 1251 CE1 PHE A 79 6.873 -9.812 -3.376 1.00 0.00 C ATOM 1252 CE2 PHE A 79 4.647 -10.196 -4.142 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.799 -10.657 -3.542 1.00 0.00 C ATOM 0 H PHE A 79 5.226 -4.141 -5.120 1.00 0.00 H new ATOM 0 HA PHE A 79 5.983 -5.879 -2.945 1.00 0.00 H new ATOM 0 HB2 PHE A 79 4.526 -6.342 -5.069 1.00 0.00 H new ATOM 0 HB3 PHE A 79 6.062 -6.547 -5.889 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.641 -7.848 -3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.668 -8.533 -5.048 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.775 -10.171 -2.903 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.803 -10.857 -4.270 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.859 -11.680 -3.202 1.00 0.00 H new ATOM 1263 N ASP A 80 8.210 -5.444 -5.362 1.00 0.00 N ATOM 1264 CA ASP A 80 9.648 -5.433 -5.620 1.00 0.00 C ATOM 1265 C ASP A 80 10.344 -4.435 -4.702 1.00 0.00 C ATOM 1266 O ASP A 80 11.325 -4.760 -4.024 1.00 0.00 O ATOM 1267 CB ASP A 80 9.925 -5.076 -7.082 1.00 0.00 C ATOM 1268 CG ASP A 80 11.327 -5.459 -7.512 1.00 0.00 C ATOM 1269 OD1 ASP A 80 12.248 -4.634 -7.338 1.00 0.00 O ATOM 1270 OD2 ASP A 80 11.505 -6.587 -8.019 1.00 0.00 O ATOM 0 H ASP A 80 7.630 -5.326 -6.192 1.00 0.00 H new ATOM 0 HA ASP A 80 10.040 -6.430 -5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.201 -5.582 -7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.783 -4.005 -7.225 1.00 0.00 H new ATOM 1275 N GLN A 81 9.818 -3.217 -4.681 1.00 0.00 N ATOM 1276 CA GLN A 81 10.370 -2.158 -3.848 1.00 0.00 C ATOM 1277 C GLN A 81 10.419 -2.594 -2.388 1.00 0.00 C ATOM 1278 O GLN A 81 11.378 -2.302 -1.674 1.00 0.00 O ATOM 1279 CB GLN A 81 9.535 -0.884 -3.987 1.00 0.00 C ATOM 1280 CG GLN A 81 10.136 0.137 -4.938 1.00 0.00 C ATOM 1281 CD GLN A 81 9.903 1.565 -4.484 1.00 0.00 C ATOM 1282 OE1 GLN A 81 10.810 2.223 -3.976 1.00 0.00 O ATOM 1283 NE2 GLN A 81 8.680 2.052 -4.666 1.00 0.00 N ATOM 0 H GLN A 81 9.007 -2.938 -5.233 1.00 0.00 H new ATOM 0 HA GLN A 81 11.387 -1.953 -4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.537 -1.150 -4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.418 -0.428 -3.004 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.208 -0.042 -5.027 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.706 0.001 -5.930 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.958 1.471 -5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.464 3.007 -4.380 1.00 0.00 H new ATOM 1292 N LEU A 82 9.377 -3.295 -1.952 1.00 0.00 N ATOM 1293 CA LEU A 82 9.307 -3.769 -0.578 1.00 0.00 C ATOM 1294 C LEU A 82 10.167 -5.008 -0.368 1.00 0.00 C ATOM 1295 O LEU A 82 10.734 -5.192 0.707 1.00 0.00 O ATOM 1296 CB LEU A 82 7.874 -4.059 -0.174 1.00 0.00 C ATOM 1297 CG LEU A 82 7.747 -4.592 1.242 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.564 -3.973 1.956 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.646 -6.098 1.211 1.00 0.00 C ATOM 0 H LEU A 82 8.574 -3.545 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 82 9.696 -2.972 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.286 -3.146 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.448 -4.784 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 82 8.639 -4.315 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.499 -4.374 2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.692 -2.892 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.648 -4.207 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.555 -6.478 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.769 -6.392 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.541 -6.513 0.748 1.00 0.00 H new ATOM 1311 N ARG A 83 10.292 -5.846 -1.394 1.00 0.00 N ATOM 1312 CA ARG A 83 11.121 -7.043 -1.285 1.00 0.00 C ATOM 1313 C ARG A 83 12.494 -6.643 -0.772 1.00 0.00 C ATOM 1314 O ARG A 83 13.134 -7.383 -0.025 1.00 0.00 O ATOM 1315 CB ARG A 83 11.242 -7.745 -2.640 1.00 0.00 C ATOM 1316 CG ARG A 83 10.162 -8.786 -2.884 1.00 0.00 C ATOM 1317 CD ARG A 83 10.436 -10.066 -2.111 1.00 0.00 C ATOM 1318 NE ARG A 83 11.486 -10.869 -2.735 1.00 0.00 N ATOM 1319 CZ ARG A 83 11.294 -11.637 -3.804 1.00 0.00 C ATOM 1320 NH1 ARG A 83 10.096 -11.711 -4.372 1.00 0.00 N ATOM 1321 NH2 ARG A 83 12.303 -12.335 -4.309 1.00 0.00 N ATOM 0 H ARG A 83 9.837 -5.721 -2.298 1.00 0.00 H new ATOM 0 HA ARG A 83 10.657 -7.742 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.200 -6.997 -3.432 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.219 -8.224 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.193 -8.382 -2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.104 -9.009 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.728 -9.818 -1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.520 -10.654 -2.047 1.00 0.00 H new ATOM 0 HE ARG A 83 12.420 -10.839 -2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.316 -11.177 -3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.956 -12.302 -5.192 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.226 -12.283 -3.878 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.156 -12.924 -5.129 1.00 0.00 H new ATOM 1335 N GLU A 84 12.924 -5.444 -1.159 1.00 0.00 N ATOM 1336 CA GLU A 84 14.201 -4.919 -0.709 1.00 0.00 C ATOM 1337 C GLU A 84 14.129 -4.644 0.786 1.00 0.00 C ATOM 1338 O GLU A 84 15.101 -4.845 1.517 1.00 0.00 O ATOM 1339 CB GLU A 84 14.560 -3.639 -1.468 1.00 0.00 C ATOM 1340 CG GLU A 84 16.053 -3.364 -1.525 1.00 0.00 C ATOM 1341 CD GLU A 84 16.751 -4.160 -2.610 1.00 0.00 C ATOM 1342 OE1 GLU A 84 16.793 -3.682 -3.763 1.00 0.00 O ATOM 1343 OE2 GLU A 84 17.256 -5.261 -2.307 1.00 0.00 O ATOM 0 H GLU A 84 12.406 -4.823 -1.781 1.00 0.00 H new ATOM 0 HA GLU A 84 14.979 -5.656 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.173 -3.709 -2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.061 -2.794 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.216 -2.300 -1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.500 -3.603 -0.560 1.00 0.00 H new ATOM 1350 N TYR A 85 12.953 -4.214 1.239 1.00 0.00 N ATOM 1351 CA TYR A 85 12.727 -3.946 2.649 1.00 0.00 C ATOM 1352 C TYR A 85 12.874 -5.243 3.433 1.00 0.00 C ATOM 1353 O TYR A 85 13.385 -5.259 4.552 1.00 0.00 O ATOM 1354 CB TYR A 85 11.328 -3.362 2.847 1.00 0.00 C ATOM 1355 CG TYR A 85 11.106 -2.739 4.206 1.00 0.00 C ATOM 1356 CD1 TYR A 85 10.707 -3.511 5.288 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.290 -1.376 4.402 1.00 0.00 C ATOM 1358 CE1 TYR A 85 10.500 -2.942 6.530 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.083 -0.799 5.639 1.00 0.00 C ATOM 1360 CZ TYR A 85 10.688 -1.586 6.700 1.00 0.00 C ATOM 1361 OH TYR A 85 10.481 -1.017 7.935 1.00 0.00 O ATOM 0 H TYR A 85 12.142 -4.045 0.644 1.00 0.00 H new ATOM 0 HA TYR A 85 13.459 -3.223 3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.149 -2.608 2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.592 -4.152 2.696 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.556 -4.572 5.157 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.600 -0.757 3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.193 -3.556 7.364 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.230 0.262 5.775 1.00 0.00 H new ATOM 0 HH TYR A 85 10.658 -0.054 7.885 1.00 0.00 H new ATOM 1371 N PHE A 86 12.436 -6.335 2.810 1.00 0.00 N ATOM 1372 CA PHE A 86 12.513 -7.664 3.411 1.00 0.00 C ATOM 1373 C PHE A 86 13.809 -8.379 3.029 1.00 0.00 C ATOM 1374 O PHE A 86 14.132 -9.429 3.586 1.00 0.00 O ATOM 1375 CB PHE A 86 11.303 -8.502 2.980 1.00 0.00 C ATOM 1376 CG PHE A 86 10.076 -8.251 3.810 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.162 -8.182 5.191 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.841 -8.075 3.212 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.040 -7.940 5.958 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.715 -7.831 3.976 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.814 -7.764 5.349 1.00 0.00 C ATOM 0 H PHE A 86 12.020 -6.324 1.879 1.00 0.00 H new ATOM 0 HA PHE A 86 12.506 -7.544 4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.076 -8.288 1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.563 -9.559 3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.118 -8.319 5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.756 -8.129 2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.121 -7.888 7.034 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.757 -7.693 3.497 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.935 -7.574 5.947 1.00 0.00 H new ATOM 1391 N LYS A 87 14.550 -7.809 2.082 1.00 0.00 N ATOM 1392 CA LYS A 87 15.807 -8.400 1.636 1.00 0.00 C ATOM 1393 C LYS A 87 15.589 -9.816 1.112 1.00 0.00 C ATOM 1394 O LYS A 87 16.564 -10.597 1.097 1.00 0.00 O ATOM 1395 CB LYS A 87 16.820 -8.418 2.782 1.00 0.00 C ATOM 1396 CG LYS A 87 17.631 -7.138 2.897 1.00 0.00 C ATOM 1397 CD LYS A 87 18.540 -7.161 4.114 1.00 0.00 C ATOM 1398 CE LYS A 87 19.373 -5.893 4.212 1.00 0.00 C ATOM 1399 NZ LYS A 87 19.924 -5.694 5.581 1.00 0.00 N ATOM 1400 OXT LYS A 87 14.445 -10.132 0.722 1.00 0.00 O ATOM 0 H LYS A 87 14.301 -6.940 1.610 1.00 0.00 H new ATOM 0 HA LYS A 87 16.198 -7.789 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.292 -8.589 3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.500 -9.258 2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 87 18.230 -7.004 1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.957 -6.284 2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 87 17.939 -7.273 5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 87 19.199 -8.027 4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 87 20.192 -5.941 3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 87 18.760 -5.034 3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 20.485 -4.819 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.142 -5.623 6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 20.530 -6.501 5.832 1.00 0.00 H new TER 1414 LYS A 87