USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 818 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 NoAdj-H: A 12 HIS HD1 : A 12 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HD1 : B 12 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Single : A 1 PHE N :NH3+ 162:sc= 0.728 (180deg=0.44) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -78:sc= 0.977 USER MOD Single : A 18 ASN : amide:sc= -0.0264 K(o=-0.026,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 160:sc= -0.284 (180deg=-1.59) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.041 K(o=-0.041,f=-2!) USER MOD Single : A 34 LYS NZ :NH3+ 151:sc= -0.261 (180deg=-1.22) USER MOD Single : A 39 SER OG : rot 76:sc= -0.719 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.853 K(o=-0.85,f=-1.7!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 154:sc= -0.289 (180deg=-1.38!) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -1.01 F(o=-2.1!,f=-1) USER MOD Single : A 53 GLN : amide:sc= -0.0122 K(o=-0.012,f=-1.6!) USER MOD Single : B 1 PHE N :NH3+ 161:sc= 0.729 (180deg=0.445) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -73:sc= 1.09 USER MOD Single : B 18 ASN : amide:sc= -0.0375 K(o=-0.037,f=-1.7!) USER MOD Single : B 22 MET CE :methyl 161:sc= -0.279 (180deg=-1.62) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.107 K(o=-0.11,f=-2.2!) USER MOD Single : B 34 LYS NZ :NH3+ 150:sc= -0.197 (180deg=-1.1) USER MOD Single : B 39 SER OG : rot 148:sc= -0.98 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN :FLIP amide:sc= -0.733 F(o=-1.7!,f=-0.73) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 158:sc= -0.222 (180deg=-1.26) USER MOD Single : B 51 HIS :FLIP no HD1:sc= -1.12 F(o=-2.2!,f=-1.1) USER MOD Single : B 53 GLN : amide:sc= -0.0573 K(o=-0.057,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.082 -3.471 24.460 1.00 0.00 N ATOM 2 CA PHE A 1 94.352 -4.090 25.601 1.00 0.00 C ATOM 3 C PHE A 1 93.928 -3.002 26.586 1.00 0.00 C ATOM 4 O PHE A 1 92.762 -2.686 26.723 1.00 0.00 O ATOM 5 CB PHE A 1 95.273 -5.075 26.329 1.00 0.00 C ATOM 6 CG PHE A 1 95.510 -6.304 25.481 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.372 -6.243 24.380 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.878 -7.511 25.810 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.601 -7.387 23.608 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.108 -8.655 25.036 1.00 0.00 C ATOM 11 CZ PHE A 1 95.969 -8.592 23.937 1.00 0.00 C ATOM 0 H1 PHE A 1 95.626 -4.202 23.959 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.400 -3.037 23.806 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.730 -2.741 24.818 1.00 0.00 H new ATOM 0 HA PHE A 1 93.475 -4.613 25.220 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.224 -4.593 26.555 1.00 0.00 H new ATOM 0 HB3 PHE A 1 94.827 -5.363 27.281 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.860 -5.313 24.127 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.214 -7.559 26.660 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.266 -7.340 22.758 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.620 -9.585 25.288 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.147 -9.475 23.340 1.00 0.00 H new ATOM 23 N LEU A 2 94.872 -2.445 27.290 1.00 0.00 N ATOM 24 CA LEU A 2 94.544 -1.393 28.290 1.00 0.00 C ATOM 25 C LEU A 2 93.879 -0.203 27.597 1.00 0.00 C ATOM 26 O LEU A 2 92.924 0.365 28.089 1.00 0.00 O ATOM 27 CB LEU A 2 95.841 -0.927 28.954 1.00 0.00 C ATOM 28 CG LEU A 2 96.554 -2.126 29.591 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.876 -1.659 30.203 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.666 -2.751 30.682 1.00 0.00 C ATOM 0 H LEU A 2 95.863 -2.675 27.215 1.00 0.00 H new ATOM 0 HA LEU A 2 93.860 -1.799 29.036 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.490 -0.456 28.216 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.623 -0.176 29.713 1.00 0.00 H new ATOM 0 HG LEU A 2 96.750 -2.877 28.826 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.387 -2.508 30.657 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.507 -1.231 29.424 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.678 -0.905 30.965 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.182 -3.602 31.128 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.459 -2.008 31.452 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.728 -3.087 30.240 1.00 0.00 H new ATOM 42 N ASP A 3 94.383 0.186 26.461 1.00 0.00 N ATOM 43 CA ASP A 3 93.792 1.347 25.741 1.00 0.00 C ATOM 44 C ASP A 3 92.333 1.070 25.382 1.00 0.00 C ATOM 45 O ASP A 3 91.460 1.885 25.606 1.00 0.00 O ATOM 46 CB ASP A 3 94.586 1.596 24.468 1.00 0.00 C ATOM 47 CG ASP A 3 94.800 0.272 23.732 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.851 -0.212 23.138 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.909 -0.235 23.775 1.00 0.00 O ATOM 0 H ASP A 3 95.180 -0.251 25.999 1.00 0.00 H new ATOM 0 HA ASP A 3 93.831 2.224 26.388 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.054 2.299 23.827 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.547 2.050 24.709 1.00 0.00 H new ATOM 54 N GLY A 4 92.059 -0.072 24.829 1.00 0.00 N ATOM 55 CA GLY A 4 90.650 -0.394 24.462 1.00 0.00 C ATOM 56 C GLY A 4 89.793 -0.336 25.726 1.00 0.00 C ATOM 57 O GLY A 4 88.673 0.138 25.714 1.00 0.00 O ATOM 0 H GLY A 4 92.743 -0.797 24.614 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.280 0.315 23.721 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.593 -1.385 24.011 1.00 0.00 H new ATOM 61 N ILE A 5 90.323 -0.815 26.817 1.00 0.00 N ATOM 62 CA ILE A 5 89.570 -0.799 28.099 1.00 0.00 C ATOM 63 C ILE A 5 89.345 0.646 28.567 1.00 0.00 C ATOM 64 O ILE A 5 88.294 0.985 29.073 1.00 0.00 O ATOM 65 CB ILE A 5 90.377 -1.570 29.152 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.358 -3.062 28.805 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.764 -1.352 30.538 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.357 -3.813 29.690 1.00 0.00 C ATOM 0 H ILE A 5 91.257 -1.221 26.874 1.00 0.00 H new ATOM 0 HA ILE A 5 88.597 -1.269 27.957 1.00 0.00 H new ATOM 0 HB ILE A 5 91.406 -1.209 29.160 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.356 -3.465 28.949 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.611 -3.204 27.754 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.341 -1.902 31.282 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.780 -0.289 30.780 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.734 -1.710 30.541 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.340 -4.874 29.439 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.359 -3.417 29.524 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.084 -3.683 30.737 1.00 0.00 H new ATOM 80 N ASP A 6 90.323 1.495 28.412 1.00 0.00 N ATOM 81 CA ASP A 6 90.160 2.905 28.870 1.00 0.00 C ATOM 82 C ASP A 6 88.990 3.547 28.122 1.00 0.00 C ATOM 83 O ASP A 6 88.128 4.161 28.719 1.00 0.00 O ATOM 84 CB ASP A 6 91.449 3.680 28.576 1.00 0.00 C ATOM 85 CG ASP A 6 91.315 5.132 29.046 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.204 5.636 29.062 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.332 5.718 29.382 1.00 0.00 O ATOM 0 H ASP A 6 91.225 1.275 27.990 1.00 0.00 H new ATOM 0 HA ASP A 6 89.959 2.927 29.941 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.291 3.204 29.079 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.661 3.655 27.507 1.00 0.00 H new ATOM 92 N LYS A 7 88.948 3.405 26.829 1.00 0.00 N ATOM 93 CA LYS A 7 87.827 4.005 26.054 1.00 0.00 C ATOM 94 C LYS A 7 86.528 3.266 26.398 1.00 0.00 C ATOM 95 O LYS A 7 85.477 3.860 26.543 1.00 0.00 O ATOM 96 CB LYS A 7 88.111 3.834 24.558 1.00 0.00 C ATOM 97 CG LYS A 7 89.283 4.727 24.144 1.00 0.00 C ATOM 98 CD LYS A 7 89.555 4.541 22.647 1.00 0.00 C ATOM 99 CE LYS A 7 90.726 5.425 22.217 1.00 0.00 C ATOM 100 NZ LYS A 7 91.088 5.118 20.801 1.00 0.00 N ATOM 0 H LYS A 7 89.640 2.900 26.275 1.00 0.00 H new ATOM 0 HA LYS A 7 87.730 5.063 26.300 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.342 2.791 24.340 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.224 4.092 23.979 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.053 5.771 24.357 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.172 4.472 24.722 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.781 3.496 22.437 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.665 4.797 22.072 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.457 6.477 22.315 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.583 5.254 22.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.885 5.719 20.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.362 4.118 20.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.270 5.303 20.186 1.00 0.00 H new ATOM 114 N ALA A 8 86.604 1.969 26.533 1.00 0.00 N ATOM 115 CA ALA A 8 85.391 1.166 26.865 1.00 0.00 C ATOM 116 C ALA A 8 84.955 1.444 28.306 1.00 0.00 C ATOM 117 O ALA A 8 83.788 1.362 28.634 1.00 0.00 O ATOM 118 CB ALA A 8 85.716 -0.320 26.711 1.00 0.00 C ATOM 0 H ALA A 8 87.462 1.427 26.427 1.00 0.00 H new ATOM 0 HA ALA A 8 84.581 1.442 26.189 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.833 -0.912 26.952 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.019 -0.522 25.683 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.528 -0.587 27.387 1.00 0.00 H new ATOM 124 N GLN A 9 85.881 1.758 29.175 1.00 0.00 N ATOM 125 CA GLN A 9 85.506 2.022 30.594 1.00 0.00 C ATOM 126 C GLN A 9 84.529 3.198 30.643 1.00 0.00 C ATOM 127 O GLN A 9 84.662 4.162 29.917 1.00 0.00 O ATOM 128 CB GLN A 9 86.762 2.360 31.403 1.00 0.00 C ATOM 129 CG GLN A 9 86.413 2.425 32.895 1.00 0.00 C ATOM 130 CD GLN A 9 87.667 2.771 33.705 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.413 3.662 33.345 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.937 2.099 34.792 1.00 0.00 N ATOM 0 H GLN A 9 86.875 1.842 28.964 1.00 0.00 H new ATOM 0 HA GLN A 9 85.034 1.137 31.020 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.530 1.606 31.232 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.173 3.314 31.074 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.640 3.175 33.065 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.007 1.469 33.225 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.314 1.351 35.097 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.771 2.322 35.336 1.00 0.00 H new ATOM 141 N GLU A 10 83.537 3.111 31.485 1.00 0.00 N ATOM 142 CA GLU A 10 82.529 4.205 31.576 1.00 0.00 C ATOM 143 C GLU A 10 81.662 3.982 32.819 1.00 0.00 C ATOM 144 O GLU A 10 81.596 2.892 33.352 1.00 0.00 O ATOM 145 CB GLU A 10 81.646 4.178 30.323 1.00 0.00 C ATOM 146 CG GLU A 10 80.674 5.361 30.341 1.00 0.00 C ATOM 147 CD GLU A 10 79.919 5.423 29.010 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.248 4.644 28.129 1.00 0.00 O ATOM 149 OE2 GLU A 10 79.026 6.244 28.896 1.00 0.00 O ATOM 0 H GLU A 10 83.380 2.326 32.117 1.00 0.00 H new ATOM 0 HA GLU A 10 83.030 5.170 31.648 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.268 4.221 29.429 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.091 3.241 30.280 1.00 0.00 H new ATOM 0 HG2 GLU A 10 79.970 5.254 31.166 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.219 6.291 30.506 1.00 0.00 H new ATOM 156 N GLU A 11 81.003 5.005 33.290 1.00 0.00 N ATOM 157 CA GLU A 11 80.147 4.853 34.502 1.00 0.00 C ATOM 158 C GLU A 11 79.286 3.594 34.377 1.00 0.00 C ATOM 159 O GLU A 11 79.105 3.055 33.303 1.00 0.00 O ATOM 160 CB GLU A 11 79.235 6.073 34.642 1.00 0.00 C ATOM 161 CG GLU A 11 80.081 7.319 34.909 1.00 0.00 C ATOM 162 CD GLU A 11 80.714 7.218 36.295 1.00 0.00 C ATOM 163 OE1 GLU A 11 79.973 7.217 37.263 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.929 7.144 36.365 1.00 0.00 O ATOM 0 H GLU A 11 81.020 5.942 32.887 1.00 0.00 H new ATOM 0 HA GLU A 11 80.787 4.769 35.380 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.649 6.207 33.733 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.528 5.920 35.458 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.857 7.414 34.149 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.461 8.213 34.845 1.00 0.00 H new ATOM 171 N HIS A 12 78.762 3.124 35.471 1.00 0.00 N ATOM 172 CA HIS A 12 77.916 1.901 35.433 1.00 0.00 C ATOM 173 C HIS A 12 76.544 2.243 34.847 1.00 0.00 C ATOM 174 O HIS A 12 75.578 2.417 35.564 1.00 0.00 O ATOM 175 CB HIS A 12 77.751 1.378 36.859 1.00 0.00 C ATOM 176 CG HIS A 12 76.892 0.146 36.863 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.407 -1.120 36.619 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.556 -0.032 37.116 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.392 -2.001 36.738 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.246 -1.385 37.040 1.00 0.00 N ATOM 0 H HIS A 12 78.884 3.536 36.396 1.00 0.00 H new ATOM 0 HA HIS A 12 78.387 1.141 34.810 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.728 1.151 37.286 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.300 2.147 37.486 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.853 0.757 37.340 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.493 -3.068 36.606 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.334 -1.817 37.185 1.00 0.00 H new ATOM 188 N GLU A 13 76.457 2.340 33.545 1.00 0.00 N ATOM 189 CA GLU A 13 75.154 2.671 32.883 1.00 0.00 C ATOM 190 C GLU A 13 74.518 1.396 32.317 1.00 0.00 C ATOM 191 O GLU A 13 74.842 0.297 32.723 1.00 0.00 O ATOM 192 CB GLU A 13 75.401 3.678 31.755 1.00 0.00 C ATOM 193 CG GLU A 13 75.762 5.037 32.363 1.00 0.00 C ATOM 194 CD GLU A 13 76.009 6.053 31.246 1.00 0.00 C ATOM 195 OE1 GLU A 13 75.054 6.688 30.830 1.00 0.00 O ATOM 196 OE2 GLU A 13 77.147 6.183 30.829 1.00 0.00 O ATOM 0 H GLU A 13 77.239 2.203 32.904 1.00 0.00 H new ATOM 0 HA GLU A 13 74.474 3.107 33.615 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.207 3.329 31.110 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.511 3.770 31.132 1.00 0.00 H new ATOM 0 HG2 GLU A 13 74.956 5.382 33.010 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.652 4.943 32.985 1.00 0.00 H new ATOM 203 N LYS A 14 73.611 1.539 31.387 1.00 0.00 N ATOM 204 CA LYS A 14 72.939 0.349 30.790 1.00 0.00 C ATOM 205 C LYS A 14 73.941 -0.425 29.928 1.00 0.00 C ATOM 206 O LYS A 14 73.823 -1.622 29.746 1.00 0.00 O ATOM 207 CB LYS A 14 71.772 0.811 29.914 1.00 0.00 C ATOM 208 CG LYS A 14 70.698 1.453 30.795 1.00 0.00 C ATOM 209 CD LYS A 14 69.474 1.823 29.944 1.00 0.00 C ATOM 210 CE LYS A 14 69.824 2.943 28.954 1.00 0.00 C ATOM 211 NZ LYS A 14 68.573 3.653 28.562 1.00 0.00 N ATOM 0 H LYS A 14 73.305 2.437 31.013 1.00 0.00 H new ATOM 0 HA LYS A 14 72.568 -0.296 31.587 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.122 1.526 29.170 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.353 -0.036 29.370 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.406 0.764 31.587 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.098 2.344 31.279 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.124 0.946 29.400 1.00 0.00 H new ATOM 0 HD3 LYS A 14 68.658 2.144 30.591 1.00 0.00 H new ATOM 0 HE2 LYS A 14 70.527 3.641 29.409 1.00 0.00 H new ATOM 0 HE3 LYS A 14 70.313 2.527 28.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 68.801 4.414 27.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.918 2.981 28.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 68.125 4.060 29.408 1.00 0.00 H new ATOM 225 N TYR A 15 74.918 0.248 29.389 1.00 0.00 N ATOM 226 CA TYR A 15 75.922 -0.448 28.534 1.00 0.00 C ATOM 227 C TYR A 15 76.626 -1.532 29.356 1.00 0.00 C ATOM 228 O TYR A 15 76.905 -2.608 28.863 1.00 0.00 O ATOM 229 CB TYR A 15 76.948 0.566 28.002 1.00 0.00 C ATOM 230 CG TYR A 15 76.361 1.305 26.818 1.00 0.00 C ATOM 231 CD1 TYR A 15 76.524 0.790 25.526 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.650 2.497 27.010 1.00 0.00 C ATOM 233 CE1 TYR A 15 75.977 1.464 24.427 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.103 3.172 25.910 1.00 0.00 C ATOM 235 CZ TYR A 15 75.264 2.656 24.620 1.00 0.00 C ATOM 236 OH TYR A 15 74.725 3.321 23.538 1.00 0.00 O ATOM 0 H TYR A 15 75.066 1.251 29.503 1.00 0.00 H new ATOM 0 HA TYR A 15 75.419 -0.913 27.686 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.218 1.272 28.787 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.863 0.053 27.706 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.072 -0.128 25.377 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.523 2.896 28.006 1.00 0.00 H new ATOM 0 HE1 TYR A 15 76.104 1.066 23.431 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.557 4.092 26.059 1.00 0.00 H new ATOM 0 HH TYR A 15 74.262 4.128 23.847 1.00 0.00 H new ATOM 246 N HIS A 16 76.911 -1.276 30.605 1.00 0.00 N ATOM 247 CA HIS A 16 77.592 -2.315 31.428 1.00 0.00 C ATOM 248 C HIS A 16 76.707 -3.566 31.488 1.00 0.00 C ATOM 249 O HIS A 16 77.193 -4.678 31.418 1.00 0.00 O ATOM 250 CB HIS A 16 77.822 -1.783 32.852 1.00 0.00 C ATOM 251 CG HIS A 16 79.035 -0.886 32.884 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.754 -0.648 34.054 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.670 -0.166 31.902 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.767 0.184 33.744 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.758 0.506 32.448 1.00 0.00 N ATOM 0 H HIS A 16 76.704 -0.401 31.087 1.00 0.00 H new ATOM 0 HA HIS A 16 78.554 -2.562 30.979 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.944 -1.231 33.188 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.958 -2.616 33.542 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.370 -0.128 30.865 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.495 0.545 34.455 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.413 1.117 31.960 1.00 0.00 H new ATOM 263 N SER A 17 75.415 -3.406 31.612 1.00 0.00 N ATOM 264 CA SER A 17 74.526 -4.605 31.665 1.00 0.00 C ATOM 265 C SER A 17 74.616 -5.357 30.334 1.00 0.00 C ATOM 266 O SER A 17 74.672 -6.570 30.296 1.00 0.00 O ATOM 267 CB SER A 17 73.081 -4.166 31.902 1.00 0.00 C ATOM 268 OG SER A 17 72.603 -3.487 30.748 1.00 0.00 O ATOM 0 H SER A 17 74.940 -2.506 31.678 1.00 0.00 H new ATOM 0 HA SER A 17 74.843 -5.256 32.480 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.455 -5.033 32.114 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.025 -3.512 32.772 1.00 0.00 H new ATOM 0 HG SER A 17 72.953 -2.572 30.739 1.00 0.00 H new ATOM 274 N ASN A 18 74.643 -4.641 29.238 1.00 0.00 N ATOM 275 CA ASN A 18 74.745 -5.302 27.903 1.00 0.00 C ATOM 276 C ASN A 18 76.209 -5.321 27.468 1.00 0.00 C ATOM 277 O ASN A 18 76.652 -4.467 26.727 1.00 0.00 O ATOM 278 CB ASN A 18 73.923 -4.512 26.882 1.00 0.00 C ATOM 279 CG ASN A 18 72.433 -4.683 27.184 1.00 0.00 C ATOM 280 OD1 ASN A 18 72.031 -5.668 27.769 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.595 -3.756 26.808 1.00 0.00 N ATOM 0 H ASN A 18 74.599 -3.622 29.212 1.00 0.00 H new ATOM 0 HA ASN A 18 74.365 -6.322 27.965 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.194 -3.457 26.920 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.143 -4.862 25.873 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.599 -3.858 27.005 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.936 -2.930 26.317 1.00 0.00 H new ATOM 288 N TRP A 19 76.966 -6.280 27.921 1.00 0.00 N ATOM 289 CA TRP A 19 78.400 -6.335 27.530 1.00 0.00 C ATOM 290 C TRP A 19 78.522 -6.710 26.053 1.00 0.00 C ATOM 291 O TRP A 19 79.480 -6.356 25.394 1.00 0.00 O ATOM 292 CB TRP A 19 79.141 -7.362 28.389 1.00 0.00 C ATOM 293 CG TRP A 19 78.649 -8.741 28.089 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.710 -9.403 28.802 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.060 -9.639 27.018 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.519 -10.652 28.237 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.329 -10.844 27.136 1.00 0.00 C ATOM 298 CE3 TRP A 19 79.987 -9.528 25.968 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.512 -11.902 26.243 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.174 -10.587 25.067 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.438 -11.773 25.204 1.00 0.00 C ATOM 0 H TRP A 19 76.654 -7.026 28.543 1.00 0.00 H new ATOM 0 HA TRP A 19 78.847 -5.353 27.688 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.212 -7.301 28.197 1.00 0.00 H new ATOM 0 HB3 TRP A 19 78.993 -7.137 29.445 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.194 -9.020 29.670 1.00 0.00 H new ATOM 0 HE1 TRP A 19 76.860 -11.346 28.591 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.560 -8.620 25.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 77.942 -12.813 26.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.889 -10.488 24.263 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.587 -12.585 24.508 1.00 0.00 H new ATOM 312 N ARG A 20 77.574 -7.433 25.525 1.00 0.00 N ATOM 313 CA ARG A 20 77.664 -7.835 24.094 1.00 0.00 C ATOM 314 C ARG A 20 77.703 -6.588 23.206 1.00 0.00 C ATOM 315 O ARG A 20 78.436 -6.528 22.240 1.00 0.00 O ATOM 316 CB ARG A 20 76.437 -8.673 23.721 1.00 0.00 C ATOM 317 CG ARG A 20 76.504 -10.022 24.435 1.00 0.00 C ATOM 318 CD ARG A 20 75.302 -10.884 24.041 1.00 0.00 C ATOM 319 NE ARG A 20 75.387 -12.196 24.743 1.00 0.00 N ATOM 320 CZ ARG A 20 74.332 -12.959 24.834 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.203 -12.578 24.303 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.409 -14.106 25.453 1.00 0.00 N ATOM 0 H ARG A 20 76.745 -7.761 26.020 1.00 0.00 H new ATOM 0 HA ARG A 20 78.572 -8.419 23.944 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.525 -8.146 24.001 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.400 -8.822 22.642 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.430 -10.535 24.175 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.515 -9.871 25.514 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.374 -10.377 24.305 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.287 -11.036 22.962 1.00 0.00 H new ATOM 0 HE ARG A 20 76.271 -12.498 25.153 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.144 -11.683 23.816 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.379 -13.175 24.374 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.293 -14.405 25.865 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.585 -14.703 25.525 1.00 0.00 H new ATOM 336 N ALA A 21 76.920 -5.593 23.522 1.00 0.00 N ATOM 337 CA ALA A 21 76.912 -4.354 22.686 1.00 0.00 C ATOM 338 C ALA A 21 78.298 -3.704 22.708 1.00 0.00 C ATOM 339 O ALA A 21 78.812 -3.282 21.693 1.00 0.00 O ATOM 340 CB ALA A 21 75.875 -3.369 23.234 1.00 0.00 C ATOM 0 H ALA A 21 76.286 -5.582 24.321 1.00 0.00 H new ATOM 0 HA ALA A 21 76.655 -4.617 21.660 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.872 -2.467 22.622 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.887 -3.829 23.208 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.127 -3.109 24.262 1.00 0.00 H new ATOM 346 N MET A 22 78.901 -3.616 23.859 1.00 0.00 N ATOM 347 CA MET A 22 80.250 -2.991 23.949 1.00 0.00 C ATOM 348 C MET A 22 81.244 -3.782 23.096 1.00 0.00 C ATOM 349 O MET A 22 82.073 -3.221 22.406 1.00 0.00 O ATOM 350 CB MET A 22 80.701 -2.995 25.413 1.00 0.00 C ATOM 351 CG MET A 22 82.088 -2.367 25.534 1.00 0.00 C ATOM 352 SD MET A 22 82.410 -1.961 27.269 1.00 0.00 S ATOM 353 CE MET A 22 82.219 -3.629 27.946 1.00 0.00 C ATOM 0 H MET A 22 78.518 -3.950 24.743 1.00 0.00 H new ATOM 0 HA MET A 22 80.208 -1.966 23.580 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.988 -2.441 26.023 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.721 -4.016 25.793 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.846 -3.057 25.163 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.148 -1.468 24.921 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.710 -3.686 28.917 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.159 -3.856 28.062 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.672 -4.351 27.267 1.00 0.00 H new ATOM 363 N ALA A 23 81.162 -5.081 23.135 1.00 0.00 N ATOM 364 CA ALA A 23 82.096 -5.915 22.325 1.00 0.00 C ATOM 365 C ALA A 23 81.858 -5.658 20.835 1.00 0.00 C ATOM 366 O ALA A 23 82.782 -5.524 20.058 1.00 0.00 O ATOM 367 CB ALA A 23 81.843 -7.392 22.632 1.00 0.00 C ATOM 0 H ALA A 23 80.488 -5.604 23.694 1.00 0.00 H new ATOM 0 HA ALA A 23 83.125 -5.656 22.574 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.523 -8.008 22.043 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.012 -7.577 23.693 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.813 -7.645 22.379 1.00 0.00 H new ATOM 373 N SER A 24 80.619 -5.596 20.432 1.00 0.00 N ATOM 374 CA SER A 24 80.301 -5.358 18.994 1.00 0.00 C ATOM 375 C SER A 24 80.708 -3.939 18.586 1.00 0.00 C ATOM 376 O SER A 24 81.208 -3.715 17.501 1.00 0.00 O ATOM 377 CB SER A 24 78.798 -5.540 18.769 1.00 0.00 C ATOM 378 OG SER A 24 78.510 -5.399 17.384 1.00 0.00 O ATOM 0 H SER A 24 79.807 -5.701 21.041 1.00 0.00 H new ATOM 0 HA SER A 24 80.856 -6.073 18.387 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.482 -6.523 19.120 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.240 -4.802 19.345 1.00 0.00 H new ATOM 0 HG SER A 24 77.548 -5.517 17.236 1.00 0.00 H new ATOM 384 N ASP A 25 80.486 -2.978 19.441 1.00 0.00 N ATOM 385 CA ASP A 25 80.847 -1.575 19.095 1.00 0.00 C ATOM 386 C ASP A 25 82.349 -1.473 18.839 1.00 0.00 C ATOM 387 O ASP A 25 82.789 -0.782 17.941 1.00 0.00 O ATOM 388 CB ASP A 25 80.474 -0.652 20.258 1.00 0.00 C ATOM 389 CG ASP A 25 78.954 -0.532 20.350 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.280 -1.112 19.515 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.488 0.140 21.255 1.00 0.00 O ATOM 0 H ASP A 25 80.070 -3.104 20.364 1.00 0.00 H new ATOM 0 HA ASP A 25 80.305 -1.278 18.197 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.875 -1.047 21.192 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.918 0.332 20.111 1.00 0.00 H new ATOM 396 N PHE A 26 83.135 -2.157 19.624 1.00 0.00 N ATOM 397 CA PHE A 26 84.618 -2.108 19.453 1.00 0.00 C ATOM 398 C PHE A 26 85.091 -3.359 18.709 1.00 0.00 C ATOM 399 O PHE A 26 86.269 -3.557 18.489 1.00 0.00 O ATOM 400 CB PHE A 26 85.271 -2.056 20.835 1.00 0.00 C ATOM 401 CG PHE A 26 85.093 -0.678 21.428 1.00 0.00 C ATOM 402 CD1 PHE A 26 86.015 0.335 21.130 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.008 -0.411 22.275 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.855 1.612 21.678 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.850 0.868 22.823 1.00 0.00 C ATOM 406 CZ PHE A 26 84.773 1.880 22.523 1.00 0.00 C ATOM 0 H PHE A 26 82.811 -2.754 20.385 1.00 0.00 H new ATOM 0 HA PHE A 26 84.896 -1.225 18.877 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.823 -2.805 21.488 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.332 -2.295 20.756 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.850 0.129 20.477 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.296 -1.190 22.504 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.567 2.391 21.449 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.016 1.075 23.477 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.648 2.867 22.944 1.00 0.00 H new ATOM 416 N ASN A 27 84.181 -4.204 18.316 1.00 0.00 N ATOM 417 CA ASN A 27 84.578 -5.441 17.586 1.00 0.00 C ATOM 418 C ASN A 27 85.660 -6.191 18.364 1.00 0.00 C ATOM 419 O ASN A 27 86.644 -6.629 17.800 1.00 0.00 O ATOM 420 CB ASN A 27 85.106 -5.078 16.199 1.00 0.00 C ATOM 421 CG ASN A 27 83.945 -4.624 15.317 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.813 -5.012 15.535 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.176 -3.815 14.320 1.00 0.00 N ATOM 0 H ASN A 27 83.179 -4.093 18.468 1.00 0.00 H new ATOM 0 HA ASN A 27 83.703 -6.083 17.485 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.850 -4.285 16.277 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.603 -5.938 15.750 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.407 -3.508 13.724 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.125 -3.489 14.137 1.00 0.00 H new ATOM 430 N LEU A 28 85.478 -6.353 19.652 1.00 0.00 N ATOM 431 CA LEU A 28 86.484 -7.093 20.484 1.00 0.00 C ATOM 432 C LEU A 28 85.821 -8.382 20.988 1.00 0.00 C ATOM 433 O LEU A 28 84.622 -8.424 21.176 1.00 0.00 O ATOM 434 CB LEU A 28 86.893 -6.235 21.692 1.00 0.00 C ATOM 435 CG LEU A 28 87.709 -5.016 21.230 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.729 -3.964 22.346 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.156 -5.426 20.906 1.00 0.00 C ATOM 0 H LEU A 28 84.671 -6.003 20.168 1.00 0.00 H new ATOM 0 HA LEU A 28 87.370 -7.317 19.891 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.004 -5.904 22.229 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.482 -6.832 22.388 1.00 0.00 H new ATOM 0 HG LEU A 28 87.245 -4.606 20.333 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.307 -3.099 22.020 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.709 -3.654 22.572 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.186 -4.390 23.239 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.718 -4.551 20.581 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.623 -5.847 21.796 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.154 -6.171 20.111 1.00 0.00 H new ATOM 449 N PRO A 29 86.576 -9.432 21.207 1.00 0.00 N ATOM 450 CA PRO A 29 86.003 -10.719 21.694 1.00 0.00 C ATOM 451 C PRO A 29 85.510 -10.595 23.150 1.00 0.00 C ATOM 452 O PRO A 29 86.048 -9.820 23.916 1.00 0.00 O ATOM 453 CB PRO A 29 87.175 -11.707 21.582 1.00 0.00 C ATOM 454 CG PRO A 29 88.408 -10.862 21.645 1.00 0.00 C ATOM 455 CD PRO A 29 88.036 -9.517 21.016 1.00 0.00 C ATOM 0 HA PRO A 29 85.132 -11.036 21.121 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.155 -12.435 22.393 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.129 -12.268 20.649 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.739 -10.732 22.675 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.230 -11.331 21.104 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.552 -8.690 21.504 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.304 -9.481 19.960 1.00 0.00 H new ATOM 463 N PRO A 30 84.496 -11.338 23.537 1.00 0.00 N ATOM 464 CA PRO A 30 83.949 -11.272 24.925 1.00 0.00 C ATOM 465 C PRO A 30 85.054 -11.217 25.994 1.00 0.00 C ATOM 466 O PRO A 30 84.813 -10.867 27.129 1.00 0.00 O ATOM 467 CB PRO A 30 83.142 -12.573 25.057 1.00 0.00 C ATOM 468 CG PRO A 30 82.713 -12.918 23.663 1.00 0.00 C ATOM 469 CD PRO A 30 83.759 -12.318 22.709 1.00 0.00 C ATOM 0 HA PRO A 30 83.359 -10.369 25.082 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.748 -13.369 25.490 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.281 -12.436 25.711 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.650 -13.999 23.535 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.723 -12.514 23.453 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.425 -13.086 22.316 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.286 -11.838 21.852 1.00 0.00 H new ATOM 477 N VAL A 31 86.255 -11.585 25.650 1.00 0.00 N ATOM 478 CA VAL A 31 87.347 -11.585 26.667 1.00 0.00 C ATOM 479 C VAL A 31 87.565 -10.180 27.234 1.00 0.00 C ATOM 480 O VAL A 31 87.590 -9.990 28.436 1.00 0.00 O ATOM 481 CB VAL A 31 88.631 -12.083 25.999 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.835 -11.887 26.929 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.470 -13.565 25.670 1.00 0.00 C ATOM 0 H VAL A 31 86.529 -11.885 24.714 1.00 0.00 H new ATOM 0 HA VAL A 31 87.071 -12.240 27.493 1.00 0.00 H new ATOM 0 HB VAL A 31 88.807 -11.512 25.087 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.738 -12.247 26.436 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.946 -10.828 27.162 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.677 -12.446 27.851 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.379 -13.933 25.193 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.290 -14.124 26.588 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.626 -13.698 24.993 1.00 0.00 H new ATOM 493 N VAL A 32 87.712 -9.194 26.401 1.00 0.00 N ATOM 494 CA VAL A 32 87.915 -7.816 26.929 1.00 0.00 C ATOM 495 C VAL A 32 86.626 -7.343 27.599 1.00 0.00 C ATOM 496 O VAL A 32 86.642 -6.745 28.656 1.00 0.00 O ATOM 497 CB VAL A 32 88.288 -6.873 25.781 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.243 -5.422 26.267 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.705 -7.200 25.300 1.00 0.00 C ATOM 0 H VAL A 32 87.701 -9.278 25.384 1.00 0.00 H new ATOM 0 HA VAL A 32 88.724 -7.816 27.660 1.00 0.00 H new ATOM 0 HB VAL A 32 87.579 -7.002 24.963 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.509 -4.755 25.447 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.237 -5.186 26.615 1.00 0.00 H new ATOM 0 HG13 VAL A 32 88.950 -5.290 27.086 1.00 0.00 H new ATOM 0 HG21 VAL A 32 89.975 -6.531 24.483 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.408 -7.070 26.123 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.742 -8.232 24.952 1.00 0.00 H new ATOM 509 N ALA A 33 85.512 -7.609 26.983 1.00 0.00 N ATOM 510 CA ALA A 33 84.216 -7.183 27.563 1.00 0.00 C ATOM 511 C ALA A 33 84.007 -7.869 28.915 1.00 0.00 C ATOM 512 O ALA A 33 83.607 -7.247 29.880 1.00 0.00 O ATOM 513 CB ALA A 33 83.088 -7.568 26.604 1.00 0.00 C ATOM 0 H ALA A 33 85.445 -8.107 26.096 1.00 0.00 H new ATOM 0 HA ALA A 33 84.216 -6.103 27.710 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.131 -7.258 27.024 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.241 -7.073 25.645 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.087 -8.648 26.458 1.00 0.00 H new ATOM 519 N LYS A 34 84.272 -9.146 28.996 1.00 0.00 N ATOM 520 CA LYS A 34 84.084 -9.858 30.290 1.00 0.00 C ATOM 521 C LYS A 34 85.020 -9.273 31.351 1.00 0.00 C ATOM 522 O LYS A 34 84.645 -9.108 32.496 1.00 0.00 O ATOM 523 CB LYS A 34 84.366 -11.353 30.107 1.00 0.00 C ATOM 524 CG LYS A 34 83.264 -12.007 29.257 1.00 0.00 C ATOM 525 CD LYS A 34 82.021 -12.300 30.112 1.00 0.00 C ATOM 526 CE LYS A 34 81.054 -13.171 29.311 1.00 0.00 C ATOM 527 NZ LYS A 34 81.725 -14.456 28.961 1.00 0.00 N ATOM 0 H LYS A 34 84.609 -9.723 28.225 1.00 0.00 H new ATOM 0 HA LYS A 34 83.053 -9.729 30.620 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.335 -11.491 29.626 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.421 -11.841 31.080 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.996 -11.349 28.431 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.637 -12.933 28.819 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.309 -12.808 31.032 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.536 -11.368 30.401 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.153 -13.364 29.893 1.00 0.00 H new ATOM 0 HE3 LYS A 34 80.743 -12.651 28.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.012 -15.208 28.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.225 -14.351 28.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.406 -14.706 29.706 1.00 0.00 H new ATOM 541 N GLU A 35 86.238 -8.965 30.991 1.00 0.00 N ATOM 542 CA GLU A 35 87.184 -8.397 31.994 1.00 0.00 C ATOM 543 C GLU A 35 86.626 -7.072 32.519 1.00 0.00 C ATOM 544 O GLU A 35 86.695 -6.783 33.695 1.00 0.00 O ATOM 545 CB GLU A 35 88.558 -8.165 31.347 1.00 0.00 C ATOM 546 CG GLU A 35 89.591 -7.793 32.424 1.00 0.00 C ATOM 547 CD GLU A 35 89.445 -6.317 32.814 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.872 -5.568 32.039 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.912 -5.960 33.883 1.00 0.00 O ATOM 0 H GLU A 35 86.617 -9.082 30.051 1.00 0.00 H new ATOM 0 HA GLU A 35 87.299 -9.097 32.821 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.877 -9.064 30.820 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.490 -7.369 30.606 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.454 -8.424 33.302 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.598 -7.980 32.052 1.00 0.00 H new ATOM 556 N ILE A 36 86.059 -6.269 31.661 1.00 0.00 N ATOM 557 CA ILE A 36 85.493 -4.978 32.134 1.00 0.00 C ATOM 558 C ILE A 36 84.385 -5.282 33.145 1.00 0.00 C ATOM 559 O ILE A 36 84.268 -4.644 34.174 1.00 0.00 O ATOM 560 CB ILE A 36 84.928 -4.200 30.944 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.088 -3.771 30.044 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.188 -2.962 31.451 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.548 -3.182 28.742 1.00 0.00 C ATOM 0 H ILE A 36 85.964 -6.450 30.662 1.00 0.00 H new ATOM 0 HA ILE A 36 86.266 -4.372 32.606 1.00 0.00 H new ATOM 0 HB ILE A 36 84.235 -4.827 30.383 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.705 -3.034 30.558 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.728 -4.627 29.828 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.785 -2.407 30.604 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.372 -3.268 32.105 1.00 0.00 H new ATOM 0 HG23 ILE A 36 84.879 -2.327 32.006 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.380 -2.879 28.107 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.950 -3.932 28.224 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.927 -2.314 28.965 1.00 0.00 H new ATOM 575 N VAL A 37 83.589 -6.275 32.866 1.00 0.00 N ATOM 576 CA VAL A 37 82.499 -6.663 33.808 1.00 0.00 C ATOM 577 C VAL A 37 83.120 -7.133 35.125 1.00 0.00 C ATOM 578 O VAL A 37 82.630 -6.841 36.197 1.00 0.00 O ATOM 579 CB VAL A 37 81.671 -7.792 33.185 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.713 -8.382 34.226 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.864 -7.236 32.006 1.00 0.00 C ATOM 0 H VAL A 37 83.646 -6.840 32.019 1.00 0.00 H new ATOM 0 HA VAL A 37 81.850 -5.809 34.001 1.00 0.00 H new ATOM 0 HB VAL A 37 82.342 -8.577 32.837 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.130 -9.183 33.771 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.286 -8.780 35.063 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.041 -7.603 34.585 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.273 -8.036 31.560 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.199 -6.448 32.360 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.545 -6.828 31.259 1.00 0.00 H new ATOM 591 N ALA A 38 84.192 -7.867 35.047 1.00 0.00 N ATOM 592 CA ALA A 38 84.850 -8.368 36.286 1.00 0.00 C ATOM 593 C ALA A 38 85.483 -7.198 37.045 1.00 0.00 C ATOM 594 O ALA A 38 85.589 -7.222 38.255 1.00 0.00 O ATOM 595 CB ALA A 38 85.939 -9.378 35.919 1.00 0.00 C ATOM 0 H ALA A 38 84.644 -8.143 34.175 1.00 0.00 H new ATOM 0 HA ALA A 38 84.102 -8.850 36.916 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.418 -9.742 36.828 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.493 -10.216 35.383 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.683 -8.896 35.284 1.00 0.00 H new ATOM 601 N SER A 39 85.915 -6.182 36.347 1.00 0.00 N ATOM 602 CA SER A 39 86.553 -5.022 37.034 1.00 0.00 C ATOM 603 C SER A 39 85.494 -4.193 37.771 1.00 0.00 C ATOM 604 O SER A 39 85.722 -3.729 38.870 1.00 0.00 O ATOM 605 CB SER A 39 87.258 -4.145 35.999 1.00 0.00 C ATOM 606 OG SER A 39 88.348 -4.866 35.441 1.00 0.00 O ATOM 0 H SER A 39 85.854 -6.105 35.332 1.00 0.00 H new ATOM 0 HA SER A 39 87.278 -5.393 37.759 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.559 -3.854 35.215 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.614 -3.226 36.465 1.00 0.00 H new ATOM 0 HG SER A 39 88.009 -5.532 34.807 1.00 0.00 H new ATOM 612 N CYS A 40 84.342 -4.002 37.186 1.00 0.00 N ATOM 613 CA CYS A 40 83.288 -3.205 37.875 1.00 0.00 C ATOM 614 C CYS A 40 82.659 -4.054 38.982 1.00 0.00 C ATOM 615 O CYS A 40 82.051 -5.075 38.725 1.00 0.00 O ATOM 616 CB CYS A 40 82.209 -2.796 36.872 1.00 0.00 C ATOM 617 SG CYS A 40 81.135 -1.540 37.613 1.00 0.00 S ATOM 0 H CYS A 40 84.087 -4.361 36.266 1.00 0.00 H new ATOM 0 HA CYS A 40 83.734 -2.309 38.306 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.671 -2.405 35.965 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.621 -3.666 36.581 1.00 0.00 H new ATOM 622 N ASP A 41 82.812 -3.648 40.210 1.00 0.00 N ATOM 623 CA ASP A 41 82.239 -4.437 41.335 1.00 0.00 C ATOM 624 C ASP A 41 80.719 -4.534 41.190 1.00 0.00 C ATOM 625 O ASP A 41 80.124 -5.563 41.446 1.00 0.00 O ATOM 626 CB ASP A 41 82.571 -3.738 42.653 1.00 0.00 C ATOM 627 CG ASP A 41 84.073 -3.850 42.923 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.562 -4.967 42.987 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.709 -2.818 43.057 1.00 0.00 O ATOM 0 H ASP A 41 83.310 -2.801 40.484 1.00 0.00 H new ATOM 0 HA ASP A 41 82.664 -5.441 41.322 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.276 -2.690 42.606 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.009 -4.191 43.469 1.00 0.00 H new ATOM 634 N LYS A 42 80.083 -3.469 40.789 1.00 0.00 N ATOM 635 CA LYS A 42 78.601 -3.495 40.641 1.00 0.00 C ATOM 636 C LYS A 42 78.190 -4.546 39.612 1.00 0.00 C ATOM 637 O LYS A 42 77.223 -5.259 39.794 1.00 0.00 O ATOM 638 CB LYS A 42 78.122 -2.121 40.181 1.00 0.00 C ATOM 639 CG LYS A 42 78.296 -1.118 41.327 1.00 0.00 C ATOM 640 CD LYS A 42 77.857 0.289 40.879 1.00 0.00 C ATOM 641 CE LYS A 42 76.342 0.456 41.053 1.00 0.00 C ATOM 642 NZ LYS A 42 75.884 1.640 40.273 1.00 0.00 N ATOM 0 H LYS A 42 80.526 -2.580 40.557 1.00 0.00 H new ATOM 0 HA LYS A 42 78.150 -3.747 41.601 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.690 -1.797 39.309 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.076 -2.169 39.880 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.706 -1.433 42.188 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.338 -1.097 41.645 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.382 1.044 41.464 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.129 0.447 39.836 1.00 0.00 H new ATOM 0 HE2 LYS A 42 75.824 -0.441 40.712 1.00 0.00 H new ATOM 0 HE3 LYS A 42 76.097 0.584 42.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 74.857 1.756 40.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.370 2.492 40.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.105 1.499 39.267 1.00 0.00 H new ATOM 656 N CYS A 43 78.909 -4.649 38.531 1.00 0.00 N ATOM 657 CA CYS A 43 78.544 -5.657 37.499 1.00 0.00 C ATOM 658 C CYS A 43 79.002 -7.048 37.942 1.00 0.00 C ATOM 659 O CYS A 43 78.432 -8.048 37.556 1.00 0.00 O ATOM 660 CB CYS A 43 79.224 -5.321 36.175 1.00 0.00 C ATOM 661 SG CYS A 43 78.966 -3.581 35.774 1.00 0.00 S ATOM 0 H CYS A 43 79.730 -4.082 38.318 1.00 0.00 H new ATOM 0 HA CYS A 43 77.461 -5.644 37.373 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.291 -5.533 36.240 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.822 -5.949 35.380 1.00 0.00 H new ATOM 666 N GLN A 44 80.048 -7.123 38.723 1.00 0.00 N ATOM 667 CA GLN A 44 80.557 -8.459 39.152 1.00 0.00 C ATOM 668 C GLN A 44 79.670 -9.044 40.257 1.00 0.00 C ATOM 669 O GLN A 44 78.931 -9.984 40.035 1.00 0.00 O ATOM 670 CB GLN A 44 81.989 -8.303 39.676 1.00 0.00 C ATOM 671 CG GLN A 44 82.564 -9.676 40.029 1.00 0.00 C ATOM 672 CD GLN A 44 83.992 -9.511 40.555 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.939 -9.135 39.740 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.248 -9.726 41.726 1.00 0.00 N ATOM 0 H GLN A 44 80.569 -6.322 39.080 1.00 0.00 H new ATOM 0 HA GLN A 44 80.541 -9.136 38.298 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.611 -7.821 38.922 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.996 -7.659 40.555 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.942 -10.160 40.781 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.561 -10.320 39.150 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.508 -10.020 42.364 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.202 -9.612 42.069 1.00 0.00 H new ATOM 683 N LEU A 45 79.732 -8.506 41.442 1.00 0.00 N ATOM 684 CA LEU A 45 78.887 -9.055 42.542 1.00 0.00 C ATOM 685 C LEU A 45 77.423 -8.715 42.266 1.00 0.00 C ATOM 686 O LEU A 45 77.101 -7.636 41.811 1.00 0.00 O ATOM 687 CB LEU A 45 79.321 -8.451 43.880 1.00 0.00 C ATOM 688 CG LEU A 45 80.790 -8.800 44.159 1.00 0.00 C ATOM 689 CD1 LEU A 45 81.259 -8.055 45.413 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.946 -10.319 44.371 1.00 0.00 C ATOM 0 H LEU A 45 80.325 -7.717 41.697 1.00 0.00 H new ATOM 0 HA LEU A 45 79.006 -10.137 42.590 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.193 -7.369 43.859 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.689 -8.831 44.683 1.00 0.00 H new ATOM 0 HG LEU A 45 81.396 -8.500 43.304 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.302 -8.301 45.614 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.163 -6.981 45.255 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.646 -8.353 46.264 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.992 -10.553 44.568 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.338 -10.632 45.220 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.618 -10.847 43.475 1.00 0.00 H new ATOM 702 N LYS A 46 76.537 -9.636 42.525 1.00 0.00 N ATOM 703 CA LYS A 46 75.090 -9.386 42.262 1.00 0.00 C ATOM 704 C LYS A 46 74.454 -8.697 43.470 1.00 0.00 C ATOM 705 O LYS A 46 73.393 -8.116 43.375 1.00 0.00 O ATOM 706 CB LYS A 46 74.400 -10.727 42.006 1.00 0.00 C ATOM 707 CG LYS A 46 72.962 -10.497 41.541 1.00 0.00 C ATOM 708 CD LYS A 46 72.295 -11.848 41.275 1.00 0.00 C ATOM 709 CE LYS A 46 70.887 -11.620 40.721 1.00 0.00 C ATOM 710 NZ LYS A 46 70.280 -12.930 40.352 1.00 0.00 N ATOM 0 H LYS A 46 76.753 -10.556 42.909 1.00 0.00 H new ATOM 0 HA LYS A 46 74.978 -8.739 41.392 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.949 -11.289 41.251 1.00 0.00 H new ATOM 0 HB3 LYS A 46 74.405 -11.327 42.916 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.406 -9.947 42.300 1.00 0.00 H new ATOM 0 HG3 LYS A 46 72.953 -9.889 40.636 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.888 -12.425 40.565 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.246 -12.429 42.196 1.00 0.00 H new ATOM 0 HE2 LYS A 46 70.269 -11.117 41.465 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.929 -10.968 39.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 69.323 -12.775 39.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 70.866 -13.393 39.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 70.227 -13.537 41.194 1.00 0.00 H new ATOM 724 N GLY A 47 75.098 -8.751 44.602 1.00 0.00 N ATOM 725 CA GLY A 47 74.529 -8.093 45.809 1.00 0.00 C ATOM 726 C GLY A 47 75.625 -7.902 46.858 1.00 0.00 C ATOM 727 O GLY A 47 76.797 -8.075 46.590 1.00 0.00 O ATOM 0 H GLY A 47 75.992 -9.221 44.743 1.00 0.00 H new ATOM 0 HA2 GLY A 47 74.098 -7.129 45.540 1.00 0.00 H new ATOM 0 HA3 GLY A 47 73.722 -8.700 46.219 1.00 0.00 H new ATOM 731 N GLU A 48 75.246 -7.542 48.050 1.00 0.00 N ATOM 732 CA GLU A 48 76.255 -7.333 49.127 1.00 0.00 C ATOM 733 C GLU A 48 76.685 -8.689 49.689 1.00 0.00 C ATOM 734 O GLU A 48 77.633 -8.786 50.435 1.00 0.00 O ATOM 735 CB GLU A 48 75.619 -6.489 50.238 1.00 0.00 C ATOM 736 CG GLU A 48 76.629 -6.247 51.364 1.00 0.00 C ATOM 737 CD GLU A 48 76.028 -5.291 52.393 1.00 0.00 C ATOM 738 OE1 GLU A 48 75.282 -5.757 53.240 1.00 0.00 O ATOM 739 OE2 GLU A 48 76.325 -4.111 52.318 1.00 0.00 O ATOM 0 H GLU A 48 74.278 -7.382 48.328 1.00 0.00 H new ATOM 0 HA GLU A 48 77.130 -6.819 48.728 1.00 0.00 H new ATOM 0 HB2 GLU A 48 75.281 -5.536 49.832 1.00 0.00 H new ATOM 0 HB3 GLU A 48 74.739 -6.997 50.632 1.00 0.00 H new ATOM 0 HG2 GLU A 48 76.892 -7.192 51.840 1.00 0.00 H new ATOM 0 HG3 GLU A 48 77.549 -5.828 50.957 1.00 0.00 H new ATOM 746 N ALA A 49 75.989 -9.735 49.326 1.00 0.00 N ATOM 747 CA ALA A 49 76.339 -11.096 49.829 1.00 0.00 C ATOM 748 C ALA A 49 75.810 -11.247 51.261 1.00 0.00 C ATOM 749 O ALA A 49 76.531 -11.083 52.224 1.00 0.00 O ATOM 750 CB ALA A 49 77.866 -11.301 49.792 1.00 0.00 C ATOM 0 H ALA A 49 75.186 -9.704 48.697 1.00 0.00 H new ATOM 0 HA ALA A 49 75.881 -11.853 49.192 1.00 0.00 H new ATOM 0 HB1 ALA A 49 78.108 -12.297 50.161 1.00 0.00 H new ATOM 0 HB2 ALA A 49 78.222 -11.197 48.767 1.00 0.00 H new ATOM 0 HB3 ALA A 49 78.349 -10.553 50.421 1.00 0.00 H new ATOM 756 N MET A 50 74.544 -11.542 51.406 1.00 0.00 N ATOM 757 CA MET A 50 73.965 -11.686 52.773 1.00 0.00 C ATOM 758 C MET A 50 72.710 -12.564 52.721 1.00 0.00 C ATOM 759 O MET A 50 71.718 -12.215 52.118 1.00 0.00 O ATOM 760 CB MET A 50 73.607 -10.294 53.300 1.00 0.00 C ATOM 761 CG MET A 50 72.910 -10.404 54.657 1.00 0.00 C ATOM 762 SD MET A 50 72.709 -8.752 55.368 1.00 0.00 S ATOM 763 CE MET A 50 71.640 -8.077 54.074 1.00 0.00 C ATOM 0 H MET A 50 73.888 -11.689 50.639 1.00 0.00 H new ATOM 0 HA MET A 50 74.691 -12.159 53.435 1.00 0.00 H new ATOM 0 HB2 MET A 50 74.510 -9.690 53.395 1.00 0.00 H new ATOM 0 HB3 MET A 50 72.956 -9.785 52.589 1.00 0.00 H new ATOM 0 HG2 MET A 50 71.937 -10.882 54.541 1.00 0.00 H new ATOM 0 HG3 MET A 50 73.495 -11.032 55.329 1.00 0.00 H new ATOM 0 HE1 MET A 50 71.028 -7.276 54.489 1.00 0.00 H new ATOM 0 HE2 MET A 50 72.254 -7.682 53.264 1.00 0.00 H new ATOM 0 HE3 MET A 50 70.994 -8.865 53.688 1.00 0.00 H new ATOM 773 N HIS A 51 72.756 -13.703 53.358 1.00 0.00 N ATOM 774 CA HIS A 51 71.581 -14.628 53.365 1.00 0.00 C ATOM 775 C HIS A 51 70.655 -14.274 54.531 1.00 0.00 C ATOM 776 O HIS A 51 69.784 -15.036 54.893 1.00 0.00 O ATOM 777 CB HIS A 51 72.079 -16.061 53.545 1.00 0.00 C ATOM 778 CG HIS A 51 70.963 -17.034 53.278 1.00 0.00 C ATOM 779 ND1 HIS A 51 69.642 -16.852 52.951 1.00 0.00 N flip ATOM 780 CD2 HIS A 51 71.149 -18.407 53.357 1.00 0.00 C flip ATOM 781 CE1 HIS A 51 69.020 -18.089 52.832 1.00 0.00 C flip ATOM 782 NE2 HIS A 51 69.967 -18.993 53.085 1.00 0.00 N flip ATOM 0 H HIS A 51 73.566 -14.037 53.880 1.00 0.00 H new ATOM 0 HA HIS A 51 71.037 -14.533 52.425 1.00 0.00 H new ATOM 0 HB2 HIS A 51 72.910 -16.253 52.866 1.00 0.00 H new ATOM 0 HB3 HIS A 51 72.457 -16.198 54.558 1.00 0.00 H new ATOM 0 HD2 HIS A 51 72.073 -18.913 53.593 1.00 0.00 H new ATOM 0 HE1 HIS A 51 67.986 -18.279 52.586 1.00 0.00 H new ATOM 0 HE2 HIS A 51 69.815 -20.002 53.074 1.00 0.00 H new ATOM 790 N GLY A 52 70.851 -13.133 55.131 1.00 0.00 N ATOM 791 CA GLY A 52 69.996 -12.731 56.288 1.00 0.00 C ATOM 792 C GLY A 52 68.523 -13.035 55.998 1.00 0.00 C ATOM 793 O GLY A 52 68.055 -14.135 56.214 1.00 0.00 O ATOM 0 H GLY A 52 71.569 -12.457 54.870 1.00 0.00 H new ATOM 0 HA2 GLY A 52 70.314 -13.263 57.185 1.00 0.00 H new ATOM 0 HA3 GLY A 52 70.121 -11.667 56.488 1.00 0.00 H new ATOM 797 N GLN A 53 67.783 -12.066 55.531 1.00 0.00 N ATOM 798 CA GLN A 53 66.338 -12.301 55.248 1.00 0.00 C ATOM 799 C GLN A 53 65.652 -12.729 56.550 1.00 0.00 C ATOM 800 O GLN A 53 64.582 -13.304 56.551 1.00 0.00 O ATOM 801 CB GLN A 53 66.187 -13.397 54.179 1.00 0.00 C ATOM 802 CG GLN A 53 64.774 -13.354 53.577 1.00 0.00 C ATOM 803 CD GLN A 53 64.691 -14.299 52.375 1.00 0.00 C ATOM 804 OE1 GLN A 53 65.694 -14.634 51.776 1.00 0.00 O ATOM 805 NE2 GLN A 53 63.524 -14.751 51.998 1.00 0.00 N ATOM 0 H GLN A 53 68.116 -11.122 55.333 1.00 0.00 H new ATOM 0 HA GLN A 53 65.875 -11.389 54.871 1.00 0.00 H new ATOM 0 HB2 GLN A 53 66.930 -13.255 53.394 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.373 -14.376 54.621 1.00 0.00 H new ATOM 0 HG2 GLN A 53 64.040 -13.643 54.329 1.00 0.00 H new ATOM 0 HG3 GLN A 53 64.531 -12.337 53.269 1.00 0.00 H new ATOM 0 HE21 GLN A 53 62.682 -14.470 52.500 1.00 0.00 H new ATOM 0 HE22 GLN A 53 63.455 -15.385 51.202 1.00 0.00 H new ATOM 814 N VAL A 54 66.279 -12.448 57.666 1.00 0.00 N ATOM 815 CA VAL A 54 65.700 -12.827 58.999 1.00 0.00 C ATOM 816 C VAL A 54 65.092 -11.589 59.671 1.00 0.00 C ATOM 817 O VAL A 54 65.602 -10.493 59.552 1.00 0.00 O ATOM 818 CB VAL A 54 66.819 -13.393 59.882 1.00 0.00 C ATOM 819 CG1 VAL A 54 67.853 -12.303 60.155 1.00 0.00 C ATOM 820 CG2 VAL A 54 66.236 -13.888 61.212 1.00 0.00 C ATOM 0 H VAL A 54 67.177 -11.967 57.714 1.00 0.00 H new ATOM 0 HA VAL A 54 64.920 -13.576 58.862 1.00 0.00 H new ATOM 0 HB VAL A 54 67.294 -14.228 59.366 1.00 0.00 H new ATOM 0 HG11 VAL A 54 68.648 -12.705 60.783 1.00 0.00 H new ATOM 0 HG12 VAL A 54 68.275 -11.957 59.211 1.00 0.00 H new ATOM 0 HG13 VAL A 54 67.375 -11.468 60.666 1.00 0.00 H new ATOM 0 HG21 VAL A 54 67.037 -14.289 61.834 1.00 0.00 H new ATOM 0 HG22 VAL A 54 65.755 -13.058 61.730 1.00 0.00 H new ATOM 0 HG23 VAL A 54 65.501 -14.670 61.019 1.00 0.00 H new ATOM 830 N ASP A 55 63.997 -11.756 60.373 1.00 0.00 N ATOM 831 CA ASP A 55 63.346 -10.592 61.050 1.00 0.00 C ATOM 832 C ASP A 55 62.629 -11.069 62.315 1.00 0.00 C ATOM 833 O ASP A 55 61.486 -11.482 62.204 1.00 0.00 O ATOM 834 CB ASP A 55 62.322 -9.970 60.099 1.00 0.00 C ATOM 835 CG ASP A 55 61.728 -8.708 60.728 1.00 0.00 C ATOM 836 OD1 ASP A 55 61.699 -8.633 61.946 1.00 0.00 O ATOM 837 OD2 ASP A 55 61.309 -7.838 59.982 1.00 0.00 O ATOM 838 OXT ASP A 55 63.232 -11.009 63.373 1.00 0.00 O ATOM 0 H ASP A 55 63.526 -12.651 60.506 1.00 0.00 H new ATOM 0 HA ASP A 55 64.104 -9.855 61.317 1.00 0.00 H new ATOM 0 HB2 ASP A 55 62.797 -9.725 59.149 1.00 0.00 H new ATOM 0 HB3 ASP A 55 61.530 -10.687 59.884 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.430 -14.312 21.559 1.00 0.00 N ATOM 845 CA PHE B 1 92.648 -14.103 22.810 1.00 0.00 C ATOM 846 C PHE B 1 92.100 -15.442 23.303 1.00 0.00 C ATOM 847 O PHE B 1 92.521 -15.967 24.315 1.00 0.00 O ATOM 848 CB PHE B 1 91.468 -13.171 22.533 1.00 0.00 C ATOM 849 CG PHE B 1 91.956 -11.766 22.272 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.576 -11.455 21.056 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.777 -10.771 23.240 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.014 -10.150 20.807 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.217 -9.466 22.992 1.00 0.00 C ATOM 854 CZ PHE B 1 92.835 -9.155 21.775 1.00 0.00 C ATOM 0 H1 PHE B 1 93.527 -13.407 21.055 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.374 -14.679 21.797 1.00 0.00 H new ATOM 0 H3 PHE B 1 92.936 -14.996 20.951 1.00 0.00 H new ATOM 0 HA PHE B 1 93.302 -13.664 23.564 1.00 0.00 H new ATOM 0 HB2 PHE B 1 90.905 -13.533 21.673 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.787 -13.174 23.384 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.716 -12.223 20.310 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.299 -11.010 24.178 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.490 -9.910 19.868 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.080 -8.699 23.740 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.174 -8.148 21.583 1.00 0.00 H new ATOM 866 N LEU B 2 91.145 -15.983 22.600 1.00 0.00 N ATOM 867 CA LEU B 2 90.537 -17.276 23.022 1.00 0.00 C ATOM 868 C LEU B 2 91.603 -18.372 23.052 1.00 0.00 C ATOM 869 O LEU B 2 91.645 -19.188 23.951 1.00 0.00 O ATOM 870 CB LEU B 2 89.451 -17.664 22.015 1.00 0.00 C ATOM 871 CG LEU B 2 88.408 -16.544 21.915 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.354 -16.929 20.871 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.729 -16.328 23.279 1.00 0.00 C ATOM 0 H LEU B 2 90.757 -15.583 21.746 1.00 0.00 H new ATOM 0 HA LEU B 2 90.109 -17.165 24.018 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.897 -17.845 21.037 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.972 -18.593 22.324 1.00 0.00 H new ATOM 0 HG LEU B 2 88.902 -15.619 21.618 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.610 -16.136 20.796 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.835 -17.068 19.903 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.867 -17.857 21.171 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.991 -15.531 23.196 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.235 -17.249 23.589 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.480 -16.051 24.019 1.00 0.00 H new ATOM 885 N ASP B 3 92.456 -18.406 22.069 1.00 0.00 N ATOM 886 CA ASP B 3 93.509 -19.459 22.030 1.00 0.00 C ATOM 887 C ASP B 3 94.412 -19.360 23.259 1.00 0.00 C ATOM 888 O ASP B 3 94.677 -20.339 23.928 1.00 0.00 O ATOM 889 CB ASP B 3 94.346 -19.276 20.772 1.00 0.00 C ATOM 890 CG ASP B 3 94.735 -17.804 20.625 1.00 0.00 C ATOM 891 OD1 ASP B 3 95.643 -17.379 21.319 1.00 0.00 O ATOM 892 OD2 ASP B 3 94.116 -17.130 19.820 1.00 0.00 O ATOM 0 H ASP B 3 92.470 -17.749 21.289 1.00 0.00 H new ATOM 0 HA ASP B 3 93.032 -20.439 22.026 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.241 -19.896 20.825 1.00 0.00 H new ATOM 0 HB3 ASP B 3 93.783 -19.603 19.898 1.00 0.00 H new ATOM 897 N GLY B 4 94.884 -18.188 23.560 1.00 0.00 N ATOM 898 CA GLY B 4 95.770 -18.033 24.748 1.00 0.00 C ATOM 899 C GLY B 4 95.016 -18.504 25.988 1.00 0.00 C ATOM 900 O GLY B 4 95.570 -19.136 26.866 1.00 0.00 O ATOM 0 H GLY B 4 94.698 -17.331 23.039 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.682 -18.615 24.617 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.070 -16.991 24.862 1.00 0.00 H new ATOM 904 N ILE B 5 93.754 -18.201 26.060 1.00 0.00 N ATOM 905 CA ILE B 5 92.940 -18.623 27.232 1.00 0.00 C ATOM 906 C ILE B 5 92.814 -20.148 27.265 1.00 0.00 C ATOM 907 O ILE B 5 92.867 -20.758 28.312 1.00 0.00 O ATOM 908 CB ILE B 5 91.552 -17.989 27.117 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.666 -16.487 27.382 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.590 -18.629 28.123 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.347 -15.806 27.024 1.00 0.00 C ATOM 0 H ILE B 5 93.245 -17.674 25.351 1.00 0.00 H new ATOM 0 HA ILE B 5 93.424 -18.296 28.152 1.00 0.00 H new ATOM 0 HB ILE B 5 91.160 -18.155 26.114 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.907 -16.309 28.430 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.478 -16.063 26.792 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.607 -18.168 28.030 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.511 -19.697 27.922 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.967 -18.477 29.134 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.427 -14.735 27.213 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.126 -15.973 25.970 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.545 -16.223 27.634 1.00 0.00 H new ATOM 923 N ASP B 6 92.639 -20.766 26.132 1.00 0.00 N ATOM 924 CA ASP B 6 92.494 -22.249 26.113 1.00 0.00 C ATOM 925 C ASP B 6 93.760 -22.889 26.683 1.00 0.00 C ATOM 926 O ASP B 6 93.694 -23.776 27.512 1.00 0.00 O ATOM 927 CB ASP B 6 92.291 -22.712 24.667 1.00 0.00 C ATOM 928 CG ASP B 6 92.101 -24.232 24.622 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.617 -24.905 25.501 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.441 -24.698 23.707 1.00 0.00 O ATOM 0 H ASP B 6 92.590 -20.311 25.220 1.00 0.00 H new ATOM 0 HA ASP B 6 91.636 -22.546 26.717 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.421 -22.216 24.237 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.152 -22.427 24.062 1.00 0.00 H new ATOM 935 N LYS B 7 94.909 -22.447 26.257 1.00 0.00 N ATOM 936 CA LYS B 7 96.170 -23.035 26.789 1.00 0.00 C ATOM 937 C LYS B 7 96.330 -22.634 28.258 1.00 0.00 C ATOM 938 O LYS B 7 96.740 -23.418 29.093 1.00 0.00 O ATOM 939 CB LYS B 7 97.358 -22.486 25.993 1.00 0.00 C ATOM 940 CG LYS B 7 97.331 -23.043 24.566 1.00 0.00 C ATOM 941 CD LYS B 7 98.521 -22.485 23.776 1.00 0.00 C ATOM 942 CE LYS B 7 98.492 -23.038 22.349 1.00 0.00 C ATOM 943 NZ LYS B 7 99.543 -22.363 21.532 1.00 0.00 N ATOM 0 H LYS B 7 95.030 -21.707 25.566 1.00 0.00 H new ATOM 0 HA LYS B 7 96.134 -24.121 26.701 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.319 -21.397 25.969 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.293 -22.760 26.482 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.374 -24.132 24.589 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.396 -22.771 24.076 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.479 -21.396 23.756 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.456 -22.759 24.265 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.662 -24.115 22.361 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.510 -22.875 21.904 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.523 -22.739 20.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.362 -21.339 21.510 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.477 -22.540 21.953 1.00 0.00 H new ATOM 957 N ALA B 8 96.003 -21.410 28.568 1.00 0.00 N ATOM 958 CA ALA B 8 96.122 -20.915 29.969 1.00 0.00 C ATOM 959 C ALA B 8 95.063 -21.577 30.854 1.00 0.00 C ATOM 960 O ALA B 8 95.257 -21.765 32.040 1.00 0.00 O ATOM 961 CB ALA B 8 95.914 -19.403 29.979 1.00 0.00 C ATOM 0 H ALA B 8 95.654 -20.722 27.901 1.00 0.00 H new ATOM 0 HA ALA B 8 97.111 -21.161 30.356 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.999 -19.031 31.000 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.671 -18.927 29.355 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.923 -19.169 29.589 1.00 0.00 H new ATOM 967 N GLN B 9 93.939 -21.921 30.291 1.00 0.00 N ATOM 968 CA GLN B 9 92.866 -22.553 31.107 1.00 0.00 C ATOM 969 C GLN B 9 93.397 -23.853 31.714 1.00 0.00 C ATOM 970 O GLN B 9 94.108 -24.607 31.076 1.00 0.00 O ATOM 971 CB GLN B 9 91.655 -22.851 30.220 1.00 0.00 C ATOM 972 CG GLN B 9 90.493 -23.325 31.094 1.00 0.00 C ATOM 973 CD GLN B 9 89.276 -23.626 30.213 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.399 -24.257 29.182 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.099 -23.197 30.579 1.00 0.00 N ATOM 0 H GLN B 9 93.717 -21.792 29.304 1.00 0.00 H new ATOM 0 HA GLN B 9 92.564 -21.876 31.906 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.367 -21.958 29.665 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.907 -23.615 29.485 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.783 -24.217 31.649 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.242 -22.560 31.829 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.996 -22.667 31.445 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.282 -23.391 30.000 1.00 0.00 H new ATOM 984 N GLU B 10 93.072 -24.107 32.950 1.00 0.00 N ATOM 985 CA GLU B 10 93.572 -25.338 33.622 1.00 0.00 C ATOM 986 C GLU B 10 92.802 -25.546 34.929 1.00 0.00 C ATOM 987 O GLU B 10 92.195 -24.634 35.457 1.00 0.00 O ATOM 988 CB GLU B 10 95.061 -25.165 33.935 1.00 0.00 C ATOM 989 CG GLU B 10 95.638 -26.473 34.480 1.00 0.00 C ATOM 990 CD GLU B 10 97.158 -26.347 34.594 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.682 -25.324 34.182 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.775 -27.276 35.090 1.00 0.00 O ATOM 0 H GLU B 10 92.478 -23.511 33.527 1.00 0.00 H new ATOM 0 HA GLU B 10 93.429 -26.200 32.971 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.598 -24.869 33.034 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.197 -24.366 34.664 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.206 -26.696 35.456 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.379 -27.301 33.820 1.00 0.00 H new ATOM 999 N GLU B 11 92.822 -26.739 35.454 1.00 0.00 N ATOM 1000 CA GLU B 11 92.095 -27.014 36.724 1.00 0.00 C ATOM 1001 C GLU B 11 92.405 -25.913 37.743 1.00 0.00 C ATOM 1002 O GLU B 11 93.363 -25.178 37.608 1.00 0.00 O ATOM 1003 CB GLU B 11 92.549 -28.363 37.284 1.00 0.00 C ATOM 1004 CG GLU B 11 92.097 -29.482 36.342 1.00 0.00 C ATOM 1005 CD GLU B 11 90.574 -29.610 36.390 1.00 0.00 C ATOM 1006 OE1 GLU B 11 90.058 -29.913 37.454 1.00 0.00 O ATOM 1007 OE2 GLU B 11 89.950 -29.407 35.362 1.00 0.00 O ATOM 0 H GLU B 11 93.313 -27.539 35.056 1.00 0.00 H new ATOM 0 HA GLU B 11 91.023 -27.037 36.530 1.00 0.00 H new ATOM 0 HB2 GLU B 11 93.634 -28.378 37.391 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.128 -28.517 38.278 1.00 0.00 H new ATOM 0 HG2 GLU B 11 92.422 -29.267 35.324 1.00 0.00 H new ATOM 0 HG3 GLU B 11 92.560 -30.425 36.632 1.00 0.00 H new ATOM 1014 N HIS B 12 91.594 -25.796 38.759 1.00 0.00 N ATOM 1015 CA HIS B 12 91.820 -24.747 39.793 1.00 0.00 C ATOM 1016 C HIS B 12 92.988 -25.148 40.693 1.00 0.00 C ATOM 1017 O HIS B 12 92.800 -25.613 41.797 1.00 0.00 O ATOM 1018 CB HIS B 12 90.550 -24.612 40.632 1.00 0.00 C ATOM 1019 CG HIS B 12 90.740 -23.565 41.693 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.560 -22.212 41.444 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.058 -23.665 43.024 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.763 -21.555 42.606 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.068 -22.399 43.596 1.00 0.00 N ATOM 0 H HIS B 12 90.778 -26.387 38.918 1.00 0.00 H new ATOM 0 HA HIS B 12 92.056 -23.797 39.313 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.709 -24.344 39.992 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.307 -25.569 41.094 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.268 -24.586 43.547 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.688 -20.484 42.721 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.267 -22.163 44.568 1.00 0.00 H new ATOM 1031 N GLU B 13 94.198 -24.970 40.223 1.00 0.00 N ATOM 1032 CA GLU B 13 95.395 -25.339 41.040 1.00 0.00 C ATOM 1033 C GLU B 13 95.997 -24.085 41.689 1.00 0.00 C ATOM 1034 O GLU B 13 95.345 -23.068 41.828 1.00 0.00 O ATOM 1035 CB GLU B 13 96.433 -26.008 40.135 1.00 0.00 C ATOM 1036 CG GLU B 13 95.925 -27.392 39.724 1.00 0.00 C ATOM 1037 CD GLU B 13 96.962 -28.079 38.830 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.829 -28.746 39.369 1.00 0.00 O ATOM 1039 OE2 GLU B 13 96.867 -27.928 37.623 1.00 0.00 O ATOM 0 H GLU B 13 94.409 -24.583 39.303 1.00 0.00 H new ATOM 0 HA GLU B 13 95.097 -26.030 41.828 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.611 -25.396 39.251 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.385 -26.097 40.658 1.00 0.00 H new ATOM 0 HG2 GLU B 13 95.736 -27.998 40.610 1.00 0.00 H new ATOM 0 HG3 GLU B 13 94.978 -27.299 39.193 1.00 0.00 H new ATOM 1046 N LYS B 14 97.235 -24.160 42.100 1.00 0.00 N ATOM 1047 CA LYS B 14 97.893 -22.993 42.754 1.00 0.00 C ATOM 1048 C LYS B 14 98.120 -21.889 41.718 1.00 0.00 C ATOM 1049 O LYS B 14 98.164 -20.718 42.044 1.00 0.00 O ATOM 1050 CB LYS B 14 99.242 -23.433 43.333 1.00 0.00 C ATOM 1051 CG LYS B 14 99.007 -24.387 44.507 1.00 0.00 C ATOM 1052 CD LYS B 14 100.348 -24.755 45.159 1.00 0.00 C ATOM 1053 CE LYS B 14 101.207 -25.572 44.186 1.00 0.00 C ATOM 1054 NZ LYS B 14 102.216 -26.346 44.963 1.00 0.00 N ATOM 0 H LYS B 14 97.823 -24.988 42.009 1.00 0.00 H new ATOM 0 HA LYS B 14 97.256 -22.615 43.554 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.837 -23.926 42.564 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.808 -22.563 43.665 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.352 -23.919 45.242 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.503 -25.288 44.159 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.879 -23.849 45.451 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.172 -25.328 46.069 1.00 0.00 H new ATOM 0 HE2 LYS B 14 100.579 -26.248 43.606 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.704 -24.911 43.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.803 -26.904 44.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 102.820 -25.690 45.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.730 -26.986 45.623 1.00 0.00 H new ATOM 1068 N TYR B 15 98.270 -22.254 40.473 1.00 0.00 N ATOM 1069 CA TYR B 15 98.505 -21.230 39.413 1.00 0.00 C ATOM 1070 C TYR B 15 97.319 -20.264 39.370 1.00 0.00 C ATOM 1071 O TYR B 15 97.485 -19.075 39.180 1.00 0.00 O ATOM 1072 CB TYR B 15 98.667 -21.923 38.052 1.00 0.00 C ATOM 1073 CG TYR B 15 100.073 -22.467 37.932 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.093 -21.657 37.420 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.357 -23.775 38.341 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.398 -22.151 37.314 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.664 -24.272 38.238 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.684 -23.460 37.724 1.00 0.00 C ATOM 1079 OH TYR B 15 103.970 -23.948 37.621 1.00 0.00 O ATOM 0 H TYR B 15 98.240 -23.219 40.143 1.00 0.00 H new ATOM 0 HA TYR B 15 99.415 -20.673 39.637 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.942 -22.731 37.954 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.468 -21.217 37.246 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.872 -20.648 37.106 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.570 -24.401 38.736 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.183 -21.525 36.917 1.00 0.00 H new ATOM 0 HE2 TYR B 15 101.885 -25.281 38.555 1.00 0.00 H new ATOM 0 HH TYR B 15 103.997 -24.871 37.949 1.00 0.00 H new ATOM 1089 N HIS B 16 96.122 -20.753 39.548 1.00 0.00 N ATOM 1090 CA HIS B 16 94.948 -19.839 39.516 1.00 0.00 C ATOM 1091 C HIS B 16 95.104 -18.788 40.617 1.00 0.00 C ATOM 1092 O HIS B 16 94.801 -17.628 40.422 1.00 0.00 O ATOM 1093 CB HIS B 16 93.653 -20.637 39.746 1.00 0.00 C ATOM 1094 CG HIS B 16 93.222 -21.306 38.466 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.904 -21.689 38.238 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.915 -21.653 37.333 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.848 -22.240 37.010 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.046 -22.241 36.418 1.00 0.00 N ATOM 0 H HIS B 16 95.908 -21.737 39.713 1.00 0.00 H new ATOM 0 HA HIS B 16 94.894 -19.352 38.543 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.811 -21.386 40.522 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.865 -19.972 40.101 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.972 -21.494 37.176 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.948 -22.632 36.560 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.276 -22.598 35.490 1.00 0.00 H new ATOM 1106 N SER B 17 95.578 -19.174 41.771 1.00 0.00 N ATOM 1107 CA SER B 17 95.745 -18.172 42.863 1.00 0.00 C ATOM 1108 C SER B 17 96.796 -17.140 42.439 1.00 0.00 C ATOM 1109 O SER B 17 96.642 -15.957 42.662 1.00 0.00 O ATOM 1110 CB SER B 17 96.208 -18.876 44.140 1.00 0.00 C ATOM 1111 OG SER B 17 97.545 -19.323 43.971 1.00 0.00 O ATOM 0 H SER B 17 95.854 -20.128 42.004 1.00 0.00 H new ATOM 0 HA SER B 17 94.794 -17.674 43.052 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.145 -18.194 44.988 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.555 -19.721 44.361 1.00 0.00 H new ATOM 0 HG SER B 17 97.558 -20.097 43.370 1.00 0.00 H new ATOM 1117 N ASN B 18 97.858 -17.581 41.812 1.00 0.00 N ATOM 1118 CA ASN B 18 98.916 -16.629 41.351 1.00 0.00 C ATOM 1119 C ASN B 18 98.674 -16.285 39.884 1.00 0.00 C ATOM 1120 O ASN B 18 99.262 -16.869 38.994 1.00 0.00 O ATOM 1121 CB ASN B 18 100.287 -17.285 41.501 1.00 0.00 C ATOM 1122 CG ASN B 18 100.633 -17.416 42.985 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.117 -16.684 43.807 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.487 -18.325 43.367 1.00 0.00 N ATOM 0 H ASN B 18 98.039 -18.562 41.599 1.00 0.00 H new ATOM 0 HA ASN B 18 98.881 -15.720 41.951 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.285 -18.268 41.030 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.044 -16.689 40.992 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.722 -18.421 44.355 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.920 -18.939 42.678 1.00 0.00 H new ATOM 1131 N TRP B 19 97.813 -15.345 39.619 1.00 0.00 N ATOM 1132 CA TRP B 19 97.529 -14.970 38.208 1.00 0.00 C ATOM 1133 C TRP B 19 98.742 -14.258 37.606 1.00 0.00 C ATOM 1134 O TRP B 19 98.967 -14.302 36.413 1.00 0.00 O ATOM 1135 CB TRP B 19 96.303 -14.058 38.147 1.00 0.00 C ATOM 1136 CG TRP B 19 96.597 -12.749 38.805 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.291 -12.430 40.084 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.240 -11.575 38.233 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.705 -11.132 40.332 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.295 -10.563 39.220 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.776 -11.294 36.963 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.859 -9.314 38.955 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.345 -10.042 36.693 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.386 -9.052 37.686 1.00 0.00 C ATOM 0 H TRP B 19 97.292 -14.819 40.321 1.00 0.00 H new ATOM 0 HA TRP B 19 97.326 -15.873 37.633 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.015 -13.894 37.109 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.458 -14.539 38.640 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.804 -13.081 40.795 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.589 -10.655 41.226 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.749 -12.048 36.191 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.888 -8.556 39.724 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.754 -9.838 35.715 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.824 -8.089 37.471 1.00 0.00 H new ATOM 1155 N ARG B 20 99.516 -13.591 38.414 1.00 0.00 N ATOM 1156 CA ARG B 20 100.697 -12.865 37.872 1.00 0.00 C ATOM 1157 C ARG B 20 101.650 -13.856 37.200 1.00 0.00 C ATOM 1158 O ARG B 20 102.213 -13.579 36.160 1.00 0.00 O ATOM 1159 CB ARG B 20 101.439 -12.171 39.020 1.00 0.00 C ATOM 1160 CG ARG B 20 100.588 -11.022 39.563 1.00 0.00 C ATOM 1161 CD ARG B 20 101.342 -10.312 40.690 1.00 0.00 C ATOM 1162 NE ARG B 20 100.508 -9.194 41.214 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.791 -8.660 42.371 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.796 -9.114 43.068 1.00 0.00 N ATOM 1165 NH2 ARG B 20 100.070 -7.672 42.831 1.00 0.00 N ATOM 0 H ARG B 20 99.383 -13.517 39.423 1.00 0.00 H new ATOM 0 HA ARG B 20 100.359 -12.128 37.144 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.651 -12.887 39.814 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.399 -11.791 38.669 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.359 -10.317 38.764 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.637 -11.404 39.933 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.570 -11.016 41.490 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.294 -9.929 40.321 1.00 0.00 H new ATOM 0 HE ARG B 20 99.718 -8.847 40.670 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.359 -9.885 42.709 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.019 -8.698 43.972 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.285 -7.317 42.286 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.293 -7.256 43.735 1.00 0.00 H new ATOM 1179 N ALA B 21 101.839 -15.008 37.782 1.00 0.00 N ATOM 1180 CA ALA B 21 102.760 -16.010 37.169 1.00 0.00 C ATOM 1181 C ALA B 21 102.236 -16.419 35.788 1.00 0.00 C ATOM 1182 O ALA B 21 102.980 -16.520 34.834 1.00 0.00 O ATOM 1183 CB ALA B 21 102.844 -17.251 38.061 1.00 0.00 C ATOM 0 H ALA B 21 101.397 -15.300 38.654 1.00 0.00 H new ATOM 0 HA ALA B 21 103.750 -15.565 37.068 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.517 -17.979 37.609 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.222 -16.968 39.043 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.852 -17.691 38.167 1.00 0.00 H new ATOM 1189 N MET B 22 100.961 -16.661 35.678 1.00 0.00 N ATOM 1190 CA MET B 22 100.389 -17.073 34.368 1.00 0.00 C ATOM 1191 C MET B 22 100.601 -15.965 33.339 1.00 0.00 C ATOM 1192 O MET B 22 100.926 -16.218 32.196 1.00 0.00 O ATOM 1193 CB MET B 22 98.893 -17.338 34.546 1.00 0.00 C ATOM 1194 CG MET B 22 98.272 -17.736 33.211 1.00 0.00 C ATOM 1195 SD MET B 22 96.645 -18.477 33.508 1.00 0.00 S ATOM 1196 CE MET B 22 95.882 -17.060 34.331 1.00 0.00 C ATOM 0 H MET B 22 100.288 -16.591 36.442 1.00 0.00 H new ATOM 0 HA MET B 22 100.885 -17.978 34.016 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.740 -18.131 35.278 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.401 -16.446 34.934 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.175 -16.862 32.567 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.918 -18.444 32.692 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.797 -17.163 34.302 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.215 -17.019 35.368 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.173 -16.142 33.820 1.00 0.00 H new ATOM 1206 N ALA B 23 100.422 -14.739 33.738 1.00 0.00 N ATOM 1207 CA ALA B 23 100.613 -13.606 32.789 1.00 0.00 C ATOM 1208 C ALA B 23 102.075 -13.541 32.343 1.00 0.00 C ATOM 1209 O ALA B 23 102.377 -13.328 31.185 1.00 0.00 O ATOM 1210 CB ALA B 23 100.243 -12.304 33.496 1.00 0.00 C ATOM 0 H ALA B 23 100.151 -14.470 34.684 1.00 0.00 H new ATOM 0 HA ALA B 23 99.980 -13.752 31.914 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.379 -11.467 32.811 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.202 -12.347 33.815 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.884 -12.168 34.367 1.00 0.00 H new ATOM 1216 N SER B 24 102.984 -13.711 33.262 1.00 0.00 N ATOM 1217 CA SER B 24 104.434 -13.650 32.917 1.00 0.00 C ATOM 1218 C SER B 24 104.822 -14.847 32.042 1.00 0.00 C ATOM 1219 O SER B 24 105.594 -14.724 31.114 1.00 0.00 O ATOM 1220 CB SER B 24 105.258 -13.671 34.202 1.00 0.00 C ATOM 1221 OG SER B 24 106.637 -13.552 33.883 1.00 0.00 O ATOM 0 H SER B 24 102.784 -13.891 34.246 1.00 0.00 H new ATOM 0 HA SER B 24 104.631 -12.731 32.365 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.953 -12.853 34.855 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.079 -14.598 34.746 1.00 0.00 H new ATOM 0 HG SER B 24 107.166 -13.564 34.708 1.00 0.00 H new ATOM 1227 N ASP B 25 104.304 -16.005 32.342 1.00 0.00 N ATOM 1228 CA ASP B 25 104.654 -17.210 31.537 1.00 0.00 C ATOM 1229 C ASP B 25 104.230 -17.012 30.084 1.00 0.00 C ATOM 1230 O ASP B 25 104.926 -17.394 29.163 1.00 0.00 O ATOM 1231 CB ASP B 25 103.927 -18.426 32.107 1.00 0.00 C ATOM 1232 CG ASP B 25 104.534 -18.795 33.459 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.509 -18.170 33.840 1.00 0.00 O ATOM 1234 OD2 ASP B 25 104.012 -19.699 34.091 1.00 0.00 O ATOM 0 H ASP B 25 103.653 -16.170 33.110 1.00 0.00 H new ATOM 0 HA ASP B 25 105.732 -17.365 31.579 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.865 -18.208 32.221 1.00 0.00 H new ATOM 0 HB3 ASP B 25 104.008 -19.267 31.418 1.00 0.00 H new ATOM 1239 N PHE B 26 103.085 -16.425 29.872 1.00 0.00 N ATOM 1240 CA PHE B 26 102.588 -16.206 28.481 1.00 0.00 C ATOM 1241 C PHE B 26 102.874 -14.761 28.060 1.00 0.00 C ATOM 1242 O PHE B 26 102.533 -14.341 26.974 1.00 0.00 O ATOM 1243 CB PHE B 26 101.081 -16.468 28.453 1.00 0.00 C ATOM 1244 CG PHE B 26 100.826 -17.958 28.514 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.825 -18.714 27.336 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.586 -18.584 29.749 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.588 -20.093 27.387 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.350 -19.964 29.797 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.351 -20.717 28.618 1.00 0.00 C ATOM 0 H PHE B 26 102.466 -16.084 30.608 1.00 0.00 H new ATOM 0 HA PHE B 26 103.092 -16.882 27.790 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.599 -15.971 29.295 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.646 -16.051 27.545 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.007 -18.233 26.386 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.583 -18.003 30.659 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.588 -20.675 26.477 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.167 -20.447 30.745 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.169 -21.781 28.657 1.00 0.00 H new ATOM 1259 N ASN B 27 103.503 -14.000 28.914 1.00 0.00 N ATOM 1260 CA ASN B 27 103.817 -12.586 28.567 1.00 0.00 C ATOM 1261 C ASN B 27 102.548 -11.869 28.110 1.00 0.00 C ATOM 1262 O ASN B 27 102.547 -11.173 27.114 1.00 0.00 O ATOM 1263 CB ASN B 27 104.868 -12.545 27.453 1.00 0.00 C ATOM 1264 CG ASN B 27 106.225 -12.956 28.025 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.454 -12.842 29.212 1.00 0.00 O ATOM 1266 ND2 ASN B 27 107.141 -13.429 27.227 1.00 0.00 N ATOM 0 H ASN B 27 103.813 -14.298 29.839 1.00 0.00 H new ATOM 0 HA ASN B 27 104.212 -12.082 29.449 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.583 -13.217 26.643 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.927 -11.542 27.030 1.00 0.00 H new ATOM 0 HD21 ASN B 27 108.050 -13.703 27.600 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.949 -13.525 26.230 1.00 0.00 H new ATOM 1273 N LEU B 28 101.469 -12.020 28.842 1.00 0.00 N ATOM 1274 CA LEU B 28 100.188 -11.335 28.470 1.00 0.00 C ATOM 1275 C LEU B 28 99.853 -10.321 29.564 1.00 0.00 C ATOM 1276 O LEU B 28 100.193 -10.521 30.711 1.00 0.00 O ATOM 1277 CB LEU B 28 99.057 -12.371 28.388 1.00 0.00 C ATOM 1278 CG LEU B 28 99.279 -13.302 27.183 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.431 -14.567 27.349 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.879 -12.596 25.878 1.00 0.00 C ATOM 0 H LEU B 28 101.420 -12.591 29.686 1.00 0.00 H new ATOM 0 HA LEU B 28 100.295 -10.839 27.505 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.021 -12.956 29.307 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.096 -11.865 28.294 1.00 0.00 H new ATOM 0 HG LEU B 28 100.336 -13.565 27.136 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.589 -15.226 26.495 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.722 -15.083 28.264 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.377 -14.294 27.406 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.042 -13.268 25.036 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.826 -12.319 25.922 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.485 -11.699 25.749 1.00 0.00 H new ATOM 1292 N PRO B 29 99.189 -9.238 29.233 1.00 0.00 N ATOM 1293 CA PRO B 29 98.823 -8.208 30.244 1.00 0.00 C ATOM 1294 C PRO B 29 97.762 -8.744 31.226 1.00 0.00 C ATOM 1295 O PRO B 29 96.952 -9.577 30.865 1.00 0.00 O ATOM 1296 CB PRO B 29 98.274 -7.040 29.405 1.00 0.00 C ATOM 1297 CG PRO B 29 97.821 -7.660 28.119 1.00 0.00 C ATOM 1298 CD PRO B 29 98.725 -8.875 27.883 1.00 0.00 C ATOM 0 HA PRO B 29 99.668 -7.911 30.865 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.449 -6.543 29.915 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.041 -6.286 29.230 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.775 -7.960 28.180 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.902 -6.950 27.296 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.179 -9.694 27.414 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.560 -8.631 27.226 1.00 0.00 H new ATOM 1306 N PRO B 30 97.757 -8.284 32.456 1.00 0.00 N ATOM 1307 CA PRO B 30 96.770 -8.752 33.469 1.00 0.00 C ATOM 1308 C PRO B 30 95.347 -8.860 32.897 1.00 0.00 C ATOM 1309 O PRO B 30 94.488 -9.491 33.474 1.00 0.00 O ATOM 1310 CB PRO B 30 96.832 -7.673 34.563 1.00 0.00 C ATOM 1311 CG PRO B 30 98.207 -7.079 34.467 1.00 0.00 C ATOM 1312 CD PRO B 30 98.682 -7.275 33.017 1.00 0.00 C ATOM 0 HA PRO B 30 97.006 -9.753 33.830 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.065 -6.914 34.408 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.659 -8.104 35.549 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.189 -6.021 34.727 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.887 -7.567 35.165 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.639 -6.342 32.456 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.715 -7.621 32.981 1.00 0.00 H new ATOM 1320 N VAL B 31 95.083 -8.233 31.783 1.00 0.00 N ATOM 1321 CA VAL B 31 93.700 -8.287 31.215 1.00 0.00 C ATOM 1322 C VAL B 31 93.294 -9.730 30.908 1.00 0.00 C ATOM 1323 O VAL B 31 92.237 -10.179 31.308 1.00 0.00 O ATOM 1324 CB VAL B 31 93.659 -7.449 29.933 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.329 -7.660 29.197 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.809 -5.973 30.306 1.00 0.00 C ATOM 0 H VAL B 31 95.757 -7.689 31.243 1.00 0.00 H new ATOM 0 HA VAL B 31 92.997 -7.887 31.946 1.00 0.00 H new ATOM 0 HB VAL B 31 94.472 -7.756 29.275 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.316 -7.058 28.289 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.221 -8.713 28.936 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.504 -7.360 29.843 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.782 -5.365 29.402 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.992 -5.680 30.966 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.760 -5.822 30.816 1.00 0.00 H new ATOM 1336 N VAL B 32 94.112 -10.462 30.215 1.00 0.00 N ATOM 1337 CA VAL B 32 93.743 -11.871 29.907 1.00 0.00 C ATOM 1338 C VAL B 32 93.772 -12.682 31.202 1.00 0.00 C ATOM 1339 O VAL B 32 92.900 -13.484 31.470 1.00 0.00 O ATOM 1340 CB VAL B 32 94.744 -12.451 28.906 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.524 -13.962 28.771 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.541 -11.780 27.547 1.00 0.00 C ATOM 0 H VAL B 32 95.013 -10.153 29.850 1.00 0.00 H new ATOM 0 HA VAL B 32 92.744 -11.911 29.473 1.00 0.00 H new ATOM 0 HB VAL B 32 95.759 -12.268 29.258 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.239 -14.371 28.057 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.666 -14.438 29.741 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.510 -14.152 28.419 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.252 -12.189 26.829 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.525 -11.965 27.198 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.701 -10.706 27.644 1.00 0.00 H new ATOM 1352 N ALA B 33 94.775 -12.470 32.007 1.00 0.00 N ATOM 1353 CA ALA B 33 94.878 -13.214 33.290 1.00 0.00 C ATOM 1354 C ALA B 33 93.672 -12.887 34.175 1.00 0.00 C ATOM 1355 O ALA B 33 93.062 -13.764 34.754 1.00 0.00 O ATOM 1356 CB ALA B 33 96.165 -12.806 34.004 1.00 0.00 C ATOM 0 H ALA B 33 95.531 -11.809 31.829 1.00 0.00 H new ATOM 0 HA ALA B 33 94.894 -14.286 33.091 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.246 -13.348 34.946 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.022 -13.043 33.373 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.147 -11.734 34.203 1.00 0.00 H new ATOM 1362 N LYS B 34 93.319 -11.634 34.289 1.00 0.00 N ATOM 1363 CA LYS B 34 92.154 -11.277 35.144 1.00 0.00 C ATOM 1364 C LYS B 34 90.880 -11.920 34.582 1.00 0.00 C ATOM 1365 O LYS B 34 90.045 -12.402 35.323 1.00 0.00 O ATOM 1366 CB LYS B 34 91.994 -9.755 35.185 1.00 0.00 C ATOM 1367 CG LYS B 34 93.141 -9.113 35.992 1.00 0.00 C ATOM 1368 CD LYS B 34 92.877 -9.225 37.499 1.00 0.00 C ATOM 1369 CE LYS B 34 93.891 -8.364 38.247 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.718 -6.942 37.845 1.00 0.00 N ATOM 0 H LYS B 34 93.783 -10.850 33.831 1.00 0.00 H new ATOM 0 HA LYS B 34 92.323 -11.648 36.155 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.988 -9.357 34.170 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.036 -9.496 35.635 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.083 -9.603 35.746 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.245 -8.064 35.714 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.863 -8.898 37.729 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.957 -10.264 37.819 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.752 -8.470 39.323 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.904 -8.697 38.022 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.987 -6.322 38.636 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.322 -6.737 37.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.723 -6.771 37.594 1.00 0.00 H new ATOM 1384 N GLU B 35 90.716 -11.937 33.284 1.00 0.00 N ATOM 1385 CA GLU B 35 89.487 -12.554 32.704 1.00 0.00 C ATOM 1386 C GLU B 35 89.439 -14.030 33.089 1.00 0.00 C ATOM 1387 O GLU B 35 88.394 -14.562 33.409 1.00 0.00 O ATOM 1388 CB GLU B 35 89.496 -12.419 31.176 1.00 0.00 C ATOM 1389 CG GLU B 35 88.136 -12.860 30.606 1.00 0.00 C ATOM 1390 CD GLU B 35 88.048 -14.392 30.567 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.088 -15.033 30.585 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.938 -14.897 30.516 1.00 0.00 O ATOM 0 H GLU B 35 91.374 -11.553 32.606 1.00 0.00 H new ATOM 0 HA GLU B 35 88.608 -12.041 33.095 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.701 -11.386 30.894 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.293 -13.030 30.752 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.329 -12.458 31.219 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.006 -12.456 29.602 1.00 0.00 H new ATOM 1399 N ILE B 36 90.556 -14.706 33.059 1.00 0.00 N ATOM 1400 CA ILE B 36 90.549 -16.148 33.431 1.00 0.00 C ATOM 1401 C ILE B 36 90.088 -16.271 34.882 1.00 0.00 C ATOM 1402 O ILE B 36 89.307 -17.133 35.229 1.00 0.00 O ATOM 1403 CB ILE B 36 91.959 -16.725 33.271 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.320 -16.745 31.783 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.989 -18.156 33.819 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.791 -17.117 31.606 1.00 0.00 C ATOM 0 H ILE B 36 91.465 -14.325 32.795 1.00 0.00 H new ATOM 0 HA ILE B 36 89.871 -16.704 32.783 1.00 0.00 H new ATOM 0 HB ILE B 36 92.674 -16.112 33.819 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.689 -17.462 31.257 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.128 -15.767 31.341 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.992 -18.568 33.706 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.717 -18.147 34.875 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.279 -18.772 33.267 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.038 -17.129 30.544 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.416 -16.384 32.116 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.970 -18.105 32.031 1.00 0.00 H new ATOM 1418 N VAL B 37 90.545 -15.388 35.725 1.00 0.00 N ATOM 1419 CA VAL B 37 90.123 -15.414 37.155 1.00 0.00 C ATOM 1420 C VAL B 37 88.618 -15.159 37.240 1.00 0.00 C ATOM 1421 O VAL B 37 87.916 -15.765 38.026 1.00 0.00 O ATOM 1422 CB VAL B 37 90.874 -14.312 37.911 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.285 -14.136 39.318 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.351 -14.700 38.016 1.00 0.00 C ATOM 0 H VAL B 37 91.198 -14.643 35.483 1.00 0.00 H new ATOM 0 HA VAL B 37 90.350 -16.385 37.596 1.00 0.00 H new ATOM 0 HB VAL B 37 90.774 -13.370 37.371 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.828 -13.350 39.844 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.233 -13.861 39.240 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.376 -15.072 39.870 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.894 -13.922 38.552 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.442 -15.643 38.554 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.770 -14.811 37.016 1.00 0.00 H new ATOM 1434 N ALA B 38 88.122 -14.262 36.439 1.00 0.00 N ATOM 1435 CA ALA B 38 86.668 -13.953 36.470 1.00 0.00 C ATOM 1436 C ALA B 38 85.875 -15.141 35.914 1.00 0.00 C ATOM 1437 O ALA B 38 84.747 -15.378 36.298 1.00 0.00 O ATOM 1438 CB ALA B 38 86.396 -12.715 35.616 1.00 0.00 C ATOM 0 H ALA B 38 88.664 -13.727 35.761 1.00 0.00 H new ATOM 0 HA ALA B 38 86.360 -13.764 37.498 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.331 -12.486 35.637 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.957 -11.869 36.013 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.706 -12.906 34.589 1.00 0.00 H new ATOM 1444 N SER B 39 86.449 -15.879 35.004 1.00 0.00 N ATOM 1445 CA SER B 39 85.723 -17.039 34.414 1.00 0.00 C ATOM 1446 C SER B 39 85.626 -18.177 35.435 1.00 0.00 C ATOM 1447 O SER B 39 84.612 -18.840 35.541 1.00 0.00 O ATOM 1448 CB SER B 39 86.473 -17.526 33.174 1.00 0.00 C ATOM 1449 OG SER B 39 86.378 -16.541 32.152 1.00 0.00 O ATOM 0 H SER B 39 87.391 -15.728 34.643 1.00 0.00 H new ATOM 0 HA SER B 39 84.716 -16.727 34.137 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.519 -17.715 33.418 1.00 0.00 H new ATOM 0 HB3 SER B 39 86.051 -18.469 32.827 1.00 0.00 H new ATOM 0 HG SER B 39 87.191 -16.557 31.606 1.00 0.00 H new ATOM 1455 N CYS B 40 86.668 -18.415 36.185 1.00 0.00 N ATOM 1456 CA CYS B 40 86.624 -19.512 37.193 1.00 0.00 C ATOM 1457 C CYS B 40 85.801 -19.056 38.403 1.00 0.00 C ATOM 1458 O CYS B 40 86.160 -18.123 39.095 1.00 0.00 O ATOM 1459 CB CYS B 40 88.048 -19.851 37.631 1.00 0.00 C ATOM 1460 SG CYS B 40 88.051 -21.412 38.550 1.00 0.00 S ATOM 0 H CYS B 40 87.546 -17.898 36.143 1.00 0.00 H new ATOM 0 HA CYS B 40 86.161 -20.397 36.757 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.697 -19.930 36.759 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.447 -19.051 38.254 1.00 0.00 H new ATOM 1465 N ASP B 41 84.691 -19.698 38.648 1.00 0.00 N ATOM 1466 CA ASP B 41 83.831 -19.301 39.799 1.00 0.00 C ATOM 1467 C ASP B 41 84.602 -19.432 41.113 1.00 0.00 C ATOM 1468 O ASP B 41 84.490 -18.606 41.995 1.00 0.00 O ATOM 1469 CB ASP B 41 82.606 -20.218 39.841 1.00 0.00 C ATOM 1470 CG ASP B 41 81.694 -19.907 38.653 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.242 -18.778 38.559 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.469 -20.803 37.855 1.00 0.00 O ATOM 0 H ASP B 41 84.342 -20.483 38.098 1.00 0.00 H new ATOM 0 HA ASP B 41 83.524 -18.263 39.674 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.919 -21.262 39.809 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.064 -20.076 40.776 1.00 0.00 H new ATOM 1477 N LYS B 42 85.377 -20.467 41.256 1.00 0.00 N ATOM 1478 CA LYS B 42 86.145 -20.651 42.520 1.00 0.00 C ATOM 1479 C LYS B 42 87.088 -19.471 42.740 1.00 0.00 C ATOM 1480 O LYS B 42 87.248 -18.988 43.844 1.00 0.00 O ATOM 1481 CB LYS B 42 86.958 -21.942 42.426 1.00 0.00 C ATOM 1482 CG LYS B 42 86.005 -23.143 42.468 1.00 0.00 C ATOM 1483 CD LYS B 42 86.794 -24.459 42.330 1.00 0.00 C ATOM 1484 CE LYS B 42 87.315 -24.915 43.699 1.00 0.00 C ATOM 1485 NZ LYS B 42 88.354 -25.964 43.506 1.00 0.00 N ATOM 0 H LYS B 42 85.513 -21.194 40.554 1.00 0.00 H new ATOM 0 HA LYS B 42 85.450 -20.708 43.358 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.537 -21.955 41.503 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.670 -21.998 43.250 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.449 -23.142 43.405 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.274 -23.064 41.663 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.155 -25.231 41.901 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.629 -24.320 41.644 1.00 0.00 H new ATOM 0 HE2 LYS B 42 87.734 -24.068 44.242 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.495 -25.306 44.301 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 88.709 -26.275 44.433 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.939 -26.775 43.004 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 89.140 -25.575 42.947 1.00 0.00 H new ATOM 1499 N CYS B 43 87.719 -18.998 41.701 1.00 0.00 N ATOM 1500 CA CYS B 43 88.655 -17.851 41.865 1.00 0.00 C ATOM 1501 C CYS B 43 87.868 -16.541 41.966 1.00 0.00 C ATOM 1502 O CYS B 43 88.313 -15.586 42.570 1.00 0.00 O ATOM 1503 CB CYS B 43 89.594 -17.762 40.665 1.00 0.00 C ATOM 1504 SG CYS B 43 90.319 -19.379 40.322 1.00 0.00 S ATOM 0 H CYS B 43 87.628 -19.354 40.750 1.00 0.00 H new ATOM 0 HA CYS B 43 89.233 -18.008 42.776 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.047 -17.407 39.791 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.383 -17.036 40.864 1.00 0.00 H new ATOM 1509 N GLN B 44 86.715 -16.474 41.354 1.00 0.00 N ATOM 1510 CA GLN B 44 85.929 -15.207 41.396 1.00 0.00 C ATOM 1511 C GLN B 44 85.258 -15.043 42.759 1.00 0.00 C ATOM 1512 O GLN B 44 85.647 -14.209 43.554 1.00 0.00 O ATOM 1513 CB GLN B 44 84.859 -15.241 40.299 1.00 0.00 C ATOM 1514 CG GLN B 44 84.097 -13.914 40.282 1.00 0.00 C ATOM 1515 CD GLN B 44 83.051 -13.935 39.165 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.441 -13.943 37.919 1.00 0.00 O flip ATOM 1517 NE2 GLN B 44 81.865 -13.946 39.427 1.00 0.00 N flip ATOM 0 H GLN B 44 86.286 -17.237 40.830 1.00 0.00 H new ATOM 0 HA GLN B 44 86.601 -14.365 41.233 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.324 -15.417 39.329 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.169 -16.066 40.476 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.612 -13.749 41.244 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.790 -13.087 40.129 1.00 0.00 H new ATOM 0 HE21 GLN B 44 81.557 -13.940 40.400 1.00 0.00 H new ATOM 0 HE22 GLN B 44 81.177 -13.961 38.674 1.00 0.00 H new ATOM 1526 N LEU B 45 84.255 -15.823 43.039 1.00 0.00 N ATOM 1527 CA LEU B 45 83.565 -15.696 44.354 1.00 0.00 C ATOM 1528 C LEU B 45 84.496 -16.192 45.461 1.00 0.00 C ATOM 1529 O LEU B 45 85.186 -17.181 45.314 1.00 0.00 O ATOM 1530 CB LEU B 45 82.280 -16.529 44.337 1.00 0.00 C ATOM 1531 CG LEU B 45 81.333 -16.007 43.249 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.119 -16.936 43.152 1.00 0.00 C ATOM 1533 CD2 LEU B 45 80.868 -14.577 43.587 1.00 0.00 C ATOM 0 H LEU B 45 83.882 -16.541 42.418 1.00 0.00 H new ATOM 0 HA LEU B 45 83.310 -14.653 44.539 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.518 -17.577 44.152 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.792 -16.480 45.310 1.00 0.00 H new ATOM 0 HG LEU B 45 81.859 -15.986 42.295 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.442 -16.570 42.380 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.451 -17.942 42.897 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.600 -16.957 44.110 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.197 -14.219 42.807 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.344 -14.581 44.543 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.734 -13.918 43.651 1.00 0.00 H new ATOM 1545 N LYS B 46 84.527 -15.498 46.566 1.00 0.00 N ATOM 1546 CA LYS B 46 85.420 -15.903 47.689 1.00 0.00 C ATOM 1547 C LYS B 46 84.717 -16.945 48.560 1.00 0.00 C ATOM 1548 O LYS B 46 85.335 -17.621 49.359 1.00 0.00 O ATOM 1549 CB LYS B 46 85.741 -14.666 48.528 1.00 0.00 C ATOM 1550 CG LYS B 46 86.823 -14.996 49.558 1.00 0.00 C ATOM 1551 CD LYS B 46 87.156 -13.738 50.362 1.00 0.00 C ATOM 1552 CE LYS B 46 88.311 -14.039 51.320 1.00 0.00 C ATOM 1553 NZ LYS B 46 88.701 -12.792 52.042 1.00 0.00 N ATOM 0 H LYS B 46 83.968 -14.662 46.740 1.00 0.00 H new ATOM 0 HA LYS B 46 86.339 -16.336 47.294 1.00 0.00 H new ATOM 0 HB2 LYS B 46 86.078 -13.856 47.881 1.00 0.00 H new ATOM 0 HB3 LYS B 46 84.841 -14.316 49.034 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.478 -15.787 50.224 1.00 0.00 H new ATOM 0 HG3 LYS B 46 87.717 -15.369 49.057 1.00 0.00 H new ATOM 0 HD2 LYS B 46 87.429 -12.925 49.690 1.00 0.00 H new ATOM 0 HD3 LYS B 46 86.281 -13.408 50.922 1.00 0.00 H new ATOM 0 HE2 LYS B 46 88.014 -14.807 52.034 1.00 0.00 H new ATOM 0 HE3 LYS B 46 89.163 -14.432 50.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 89.486 -12.998 52.692 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 89.002 -12.072 51.354 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 87.888 -12.435 52.583 1.00 0.00 H new ATOM 1567 N GLY B 47 83.430 -17.086 48.412 1.00 0.00 N ATOM 1568 CA GLY B 47 82.697 -18.087 49.233 1.00 0.00 C ATOM 1569 C GLY B 47 81.303 -18.307 48.651 1.00 0.00 C ATOM 1570 O GLY B 47 80.985 -17.844 47.574 1.00 0.00 O ATOM 0 H GLY B 47 82.855 -16.553 47.760 1.00 0.00 H new ATOM 0 HA2 GLY B 47 83.246 -19.028 49.252 1.00 0.00 H new ATOM 0 HA3 GLY B 47 82.621 -17.741 50.264 1.00 0.00 H new ATOM 1574 N GLU B 48 80.470 -19.015 49.361 1.00 0.00 N ATOM 1575 CA GLU B 48 79.091 -19.281 48.861 1.00 0.00 C ATOM 1576 C GLU B 48 78.230 -18.027 49.026 1.00 0.00 C ATOM 1577 O GLU B 48 77.146 -17.939 48.489 1.00 0.00 O ATOM 1578 CB GLU B 48 78.490 -20.431 49.672 1.00 0.00 C ATOM 1579 CG GLU B 48 77.078 -20.748 49.172 1.00 0.00 C ATOM 1580 CD GLU B 48 76.551 -21.991 49.887 1.00 0.00 C ATOM 1581 OE1 GLU B 48 76.085 -21.854 51.005 1.00 0.00 O ATOM 1582 OE2 GLU B 48 76.623 -23.059 49.302 1.00 0.00 O ATOM 0 H GLU B 48 80.685 -19.423 50.271 1.00 0.00 H new ATOM 0 HA GLU B 48 79.124 -19.548 47.805 1.00 0.00 H new ATOM 0 HB2 GLU B 48 79.121 -21.315 49.586 1.00 0.00 H new ATOM 0 HB3 GLU B 48 78.458 -20.163 50.728 1.00 0.00 H new ATOM 0 HG2 GLU B 48 76.417 -19.901 49.357 1.00 0.00 H new ATOM 0 HG3 GLU B 48 77.091 -20.913 48.095 1.00 0.00 H new ATOM 1589 N ALA B 49 78.708 -17.058 49.765 1.00 0.00 N ATOM 1590 CA ALA B 49 77.923 -15.802 49.979 1.00 0.00 C ATOM 1591 C ALA B 49 76.847 -16.055 51.043 1.00 0.00 C ATOM 1592 O ALA B 49 75.699 -16.310 50.738 1.00 0.00 O ATOM 1593 CB ALA B 49 77.272 -15.349 48.656 1.00 0.00 C ATOM 0 H ALA B 49 79.614 -17.082 50.233 1.00 0.00 H new ATOM 0 HA ALA B 49 78.590 -15.011 50.321 1.00 0.00 H new ATOM 0 HB1 ALA B 49 76.704 -14.434 48.825 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.048 -15.162 47.914 1.00 0.00 H new ATOM 0 HB3 ALA B 49 76.604 -16.130 48.293 1.00 0.00 H new ATOM 1599 N MET B 50 77.214 -16.001 52.297 1.00 0.00 N ATOM 1600 CA MET B 50 76.212 -16.254 53.376 1.00 0.00 C ATOM 1601 C MET B 50 76.667 -15.596 54.683 1.00 0.00 C ATOM 1602 O MET B 50 77.686 -15.943 55.250 1.00 0.00 O ATOM 1603 CB MET B 50 76.074 -17.768 53.561 1.00 0.00 C ATOM 1604 CG MET B 50 75.178 -18.081 54.760 1.00 0.00 C ATOM 1605 SD MET B 50 74.849 -19.860 54.816 1.00 0.00 S ATOM 1606 CE MET B 50 76.553 -20.397 55.106 1.00 0.00 C ATOM 0 H MET B 50 78.159 -15.794 52.620 1.00 0.00 H new ATOM 0 HA MET B 50 75.248 -15.826 53.100 1.00 0.00 H new ATOM 0 HB2 MET B 50 75.654 -18.214 52.659 1.00 0.00 H new ATOM 0 HB3 MET B 50 77.058 -18.214 53.708 1.00 0.00 H new ATOM 0 HG2 MET B 50 75.661 -17.760 55.683 1.00 0.00 H new ATOM 0 HG3 MET B 50 74.241 -17.529 54.682 1.00 0.00 H new ATOM 0 HE1 MET B 50 76.550 -21.390 55.555 1.00 0.00 H new ATOM 0 HE2 MET B 50 77.091 -20.428 54.158 1.00 0.00 H new ATOM 0 HE3 MET B 50 77.046 -19.696 55.780 1.00 0.00 H new ATOM 1616 N HIS B 51 75.911 -14.645 55.164 1.00 0.00 N ATOM 1617 CA HIS B 51 76.282 -13.946 56.435 1.00 0.00 C ATOM 1618 C HIS B 51 75.700 -14.696 57.638 1.00 0.00 C ATOM 1619 O HIS B 51 75.649 -14.179 58.735 1.00 0.00 O ATOM 1620 CB HIS B 51 75.708 -12.527 56.417 1.00 0.00 C ATOM 1621 CG HIS B 51 76.303 -11.724 57.541 1.00 0.00 C ATOM 1622 ND1 HIS B 51 77.213 -12.047 58.520 1.00 0.00 N flip ATOM 1623 CD2 HIS B 51 75.957 -10.399 57.769 1.00 0.00 C flip ATOM 1624 CE1 HIS B 51 77.423 -10.945 59.339 1.00 0.00 C flip ATOM 1625 NE2 HIS B 51 76.645 -9.978 58.847 1.00 0.00 N flip ATOM 0 H HIS B 51 75.047 -14.319 54.731 1.00 0.00 H new ATOM 0 HA HIS B 51 77.368 -13.914 56.517 1.00 0.00 H new ATOM 0 HB2 HIS B 51 75.925 -12.049 55.462 1.00 0.00 H new ATOM 0 HB3 HIS B 51 74.623 -12.562 56.517 1.00 0.00 H new ATOM 0 HD2 HIS B 51 75.262 -9.812 57.187 1.00 0.00 H new ATOM 0 HE1 HIS B 51 78.079 -10.883 60.195 1.00 0.00 H new ATOM 0 HE2 HIS B 51 76.580 -9.038 59.239 1.00 0.00 H new ATOM 1633 N GLY B 52 75.241 -15.899 57.439 1.00 0.00 N ATOM 1634 CA GLY B 52 74.643 -16.675 58.565 1.00 0.00 C ATOM 1635 C GLY B 52 75.505 -16.556 59.826 1.00 0.00 C ATOM 1636 O GLY B 52 75.377 -15.618 60.588 1.00 0.00 O ATOM 0 H GLY B 52 75.253 -16.382 56.541 1.00 0.00 H new ATOM 0 HA2 GLY B 52 73.637 -16.309 58.771 1.00 0.00 H new ATOM 0 HA3 GLY B 52 74.549 -17.723 58.281 1.00 0.00 H new ATOM 1640 N GLN B 53 76.361 -17.514 60.065 1.00 0.00 N ATOM 1641 CA GLN B 53 77.216 -17.470 61.293 1.00 0.00 C ATOM 1642 C GLN B 53 76.293 -17.459 62.517 1.00 0.00 C ATOM 1643 O GLN B 53 76.679 -17.085 63.603 1.00 0.00 O ATOM 1644 CB GLN B 53 78.096 -16.207 61.278 1.00 0.00 C ATOM 1645 CG GLN B 53 79.234 -16.336 62.302 1.00 0.00 C ATOM 1646 CD GLN B 53 80.233 -15.193 62.107 1.00 0.00 C ATOM 1647 OE1 GLN B 53 80.275 -14.579 61.058 1.00 0.00 O ATOM 1648 NE2 GLN B 53 81.048 -14.881 63.080 1.00 0.00 N ATOM 0 H GLN B 53 76.507 -18.326 59.465 1.00 0.00 H new ATOM 0 HA GLN B 53 77.872 -18.340 61.327 1.00 0.00 H new ATOM 0 HB2 GLN B 53 78.510 -16.056 60.281 1.00 0.00 H new ATOM 0 HB3 GLN B 53 77.490 -15.331 61.507 1.00 0.00 H new ATOM 0 HG2 GLN B 53 78.830 -16.311 63.314 1.00 0.00 H new ATOM 0 HG3 GLN B 53 79.737 -17.296 62.183 1.00 0.00 H new ATOM 0 HE21 GLN B 53 81.013 -15.396 63.960 1.00 0.00 H new ATOM 0 HE22 GLN B 53 81.719 -14.123 62.960 1.00 0.00 H new ATOM 1657 N VAL B 54 75.063 -17.875 62.333 1.00 0.00 N ATOM 1658 CA VAL B 54 74.075 -17.899 63.457 1.00 0.00 C ATOM 1659 C VAL B 54 73.906 -19.334 63.974 1.00 0.00 C ATOM 1660 O VAL B 54 73.930 -20.284 63.218 1.00 0.00 O ATOM 1661 CB VAL B 54 72.730 -17.381 62.941 1.00 0.00 C ATOM 1662 CG1 VAL B 54 72.192 -18.334 61.867 1.00 0.00 C ATOM 1663 CG2 VAL B 54 71.728 -17.301 64.097 1.00 0.00 C ATOM 0 H VAL B 54 74.697 -18.203 61.439 1.00 0.00 H new ATOM 0 HA VAL B 54 74.431 -17.269 64.272 1.00 0.00 H new ATOM 0 HB VAL B 54 72.868 -16.388 62.513 1.00 0.00 H new ATOM 0 HG11 VAL B 54 71.234 -17.965 61.500 1.00 0.00 H new ATOM 0 HG12 VAL B 54 72.901 -18.388 61.041 1.00 0.00 H new ATOM 0 HG13 VAL B 54 72.058 -19.327 62.296 1.00 0.00 H new ATOM 0 HG21 VAL B 54 70.772 -16.932 63.725 1.00 0.00 H new ATOM 0 HG22 VAL B 54 71.591 -18.292 64.529 1.00 0.00 H new ATOM 0 HG23 VAL B 54 72.107 -16.622 64.861 1.00 0.00 H new ATOM 1673 N ASP B 55 73.737 -19.496 65.264 1.00 0.00 N ATOM 1674 CA ASP B 55 73.571 -20.866 65.842 1.00 0.00 C ATOM 1675 C ASP B 55 72.714 -20.786 67.109 1.00 0.00 C ATOM 1676 O ASP B 55 73.283 -20.596 68.174 1.00 0.00 O ATOM 1677 CB ASP B 55 74.947 -21.436 66.204 1.00 0.00 C ATOM 1678 CG ASP B 55 74.795 -22.876 66.697 1.00 0.00 C ATOM 1679 OD1 ASP B 55 73.717 -23.219 67.151 1.00 0.00 O ATOM 1680 OD2 ASP B 55 75.763 -23.614 66.614 1.00 0.00 O ATOM 1681 OXT ASP B 55 71.507 -20.914 66.996 1.00 0.00 O ATOM 0 H ASP B 55 73.707 -18.736 65.943 1.00 0.00 H new ATOM 0 HA ASP B 55 73.085 -21.511 65.110 1.00 0.00 H new ATOM 0 HB2 ASP B 55 75.604 -21.406 65.335 1.00 0.00 H new ATOM 0 HB3 ASP B 55 75.413 -20.824 66.976 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.384 -1.419 36.104 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.144 -21.477 39.562 1.00 0.00 ZN