USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=14 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 Set 1.1: A 44 GLN : amide:sc= -1.97 K(o=-4.5,f=-5.2!) USER MOD Set 1.2: B 44 GLN : amide:sc= -2.52 K(o=-4.5,f=-5.2) USER MOD Single : A 1 PHE N :NH3+ 158:sc= 0.594 (180deg=0.377) USER MOD Single : A 7 LYS NZ :NH3+ -112:sc= -1.32 (180deg=-3.57!) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) 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 -64:sc= 0.613 USER MOD Single : A 18 ASN : amide:sc= -0.0689 K(o=-0.069,f=-1.7!) USER MOD Single : A 22 MET CE :methyl -158:sc= -0.0533 (180deg=-0.987) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0232 K(o=-0.023,f=-1.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 154:sc= 0.91 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-3.3!) USER MOD Single : A 53 GLN : amide:sc= -1.63 K(o=-1.6,f=-0.27) USER MOD Single : B 1 PHE N :NH3+ 167:sc= 0.557 (180deg=0.477) USER MOD Single : B 7 LYS NZ :NH3+ -115:sc= -1.39 (180deg=-3.86!) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) 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 -51:sc= 0.579 USER MOD Single : B 18 ASN : amide:sc= -0.0256 K(o=-0.026,f=-1.6!) USER MOD Single : B 22 MET CE :methyl -159:sc= -0.102 (180deg=-0.943) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.0371 K(o=-0.037,f=-1.9!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 149:sc= 0.9 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-3.1!) USER MOD Single : B 53 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.535 -3.402 24.298 1.00 0.00 N ATOM 2 CA PHE A 1 94.138 -4.069 25.571 1.00 0.00 C ATOM 3 C PHE A 1 93.760 -3.008 26.612 1.00 0.00 C ATOM 4 O PHE A 1 92.620 -2.603 26.717 1.00 0.00 O ATOM 5 CB PHE A 1 95.311 -4.900 26.105 1.00 0.00 C ATOM 6 CG PHE A 1 95.478 -6.157 25.280 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.090 -6.093 24.021 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.038 -7.390 25.779 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.261 -7.261 23.264 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.206 -8.556 25.021 1.00 0.00 C ATOM 11 CZ PHE A 1 95.818 -8.492 23.765 1.00 0.00 C ATOM 0 H1 PHE A 1 95.128 -4.048 23.738 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.683 -3.155 23.755 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.072 -2.537 24.512 1.00 0.00 H new ATOM 0 HA PHE A 1 93.284 -4.719 25.382 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.228 -4.311 26.074 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.136 -5.162 27.149 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.430 -5.144 23.634 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.568 -7.442 26.750 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.734 -7.212 22.295 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.863 -9.505 25.407 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.949 -9.391 23.182 1.00 0.00 H new ATOM 23 N LEU A 2 94.713 -2.571 27.390 1.00 0.00 N ATOM 24 CA LEU A 2 94.423 -1.555 28.444 1.00 0.00 C ATOM 25 C LEU A 2 93.885 -0.269 27.813 1.00 0.00 C ATOM 26 O LEU A 2 92.977 0.350 28.334 1.00 0.00 O ATOM 27 CB LEU A 2 95.721 -1.241 29.190 1.00 0.00 C ATOM 28 CG LEU A 2 96.272 -2.514 29.846 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.698 -2.246 30.336 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.394 -2.928 31.039 1.00 0.00 C ATOM 0 H LEU A 2 95.685 -2.875 27.341 1.00 0.00 H new ATOM 0 HA LEU A 2 93.673 -1.951 29.129 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.457 -0.831 28.499 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.539 -0.481 29.949 1.00 0.00 H new ATOM 0 HG LEU A 2 96.271 -3.321 29.113 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.097 -3.146 30.804 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.327 -1.967 29.491 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.686 -1.434 31.063 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.799 -3.833 31.492 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.382 -2.126 31.777 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.378 -3.119 30.694 1.00 0.00 H new ATOM 42 N ASP A 3 94.430 0.143 26.705 1.00 0.00 N ATOM 43 CA ASP A 3 93.934 1.395 26.063 1.00 0.00 C ATOM 44 C ASP A 3 92.468 1.221 25.676 1.00 0.00 C ATOM 45 O ASP A 3 91.631 2.044 25.978 1.00 0.00 O ATOM 46 CB ASP A 3 94.760 1.689 24.814 1.00 0.00 C ATOM 47 CG ASP A 3 95.007 0.391 24.043 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.088 -0.067 23.385 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.112 -0.120 24.122 1.00 0.00 O ATOM 0 H ASP A 3 95.192 -0.327 26.217 1.00 0.00 H new ATOM 0 HA ASP A 3 94.029 2.225 26.763 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.237 2.406 24.181 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.710 2.144 25.093 1.00 0.00 H new ATOM 54 N GLY A 4 92.159 0.155 25.006 1.00 0.00 N ATOM 55 CA GLY A 4 90.750 -0.083 24.588 1.00 0.00 C ATOM 56 C GLY A 4 89.858 -0.126 25.829 1.00 0.00 C ATOM 57 O GLY A 4 88.735 0.339 25.814 1.00 0.00 O ATOM 0 H GLY A 4 92.822 -0.568 24.726 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.419 0.708 23.915 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.675 -1.021 24.039 1.00 0.00 H new ATOM 61 N ILE A 5 90.347 -0.681 26.905 1.00 0.00 N ATOM 62 CA ILE A 5 89.524 -0.750 28.145 1.00 0.00 C ATOM 63 C ILE A 5 89.229 0.665 28.649 1.00 0.00 C ATOM 64 O ILE A 5 88.143 0.954 29.106 1.00 0.00 O ATOM 65 CB ILE A 5 90.281 -1.546 29.221 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.248 -3.039 28.861 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.628 -1.327 30.594 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.200 -3.821 29.773 1.00 0.00 C ATOM 0 H ILE A 5 91.279 -1.089 26.978 1.00 0.00 H new ATOM 0 HA ILE A 5 88.581 -1.251 27.927 1.00 0.00 H new ATOM 0 HB ILE A 5 91.315 -1.203 29.265 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.234 -3.424 28.965 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.536 -3.176 27.819 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.171 -1.895 31.350 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.657 -0.267 30.846 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.592 -1.664 30.562 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.169 -4.878 29.510 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.215 -3.445 29.647 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.893 -3.697 30.811 1.00 0.00 H new ATOM 80 N ASP A 6 90.186 1.545 28.584 1.00 0.00 N ATOM 81 CA ASP A 6 89.945 2.929 29.078 1.00 0.00 C ATOM 82 C ASP A 6 88.805 3.565 28.288 1.00 0.00 C ATOM 83 O ASP A 6 87.888 4.130 28.853 1.00 0.00 O ATOM 84 CB ASP A 6 91.215 3.765 28.903 1.00 0.00 C ATOM 85 CG ASP A 6 92.241 3.363 29.963 1.00 0.00 C ATOM 86 OD1 ASP A 6 91.883 3.357 31.130 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.364 3.068 29.593 1.00 0.00 O ATOM 0 H ASP A 6 91.120 1.369 28.213 1.00 0.00 H new ATOM 0 HA ASP A 6 89.677 2.892 30.134 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.628 3.613 27.906 1.00 0.00 H new ATOM 0 HB3 ASP A 6 90.980 4.826 28.993 1.00 0.00 H new ATOM 92 N LYS A 7 88.840 3.482 26.991 1.00 0.00 N ATOM 93 CA LYS A 7 87.740 4.090 26.192 1.00 0.00 C ATOM 94 C LYS A 7 86.462 3.277 26.397 1.00 0.00 C ATOM 95 O LYS A 7 85.382 3.816 26.519 1.00 0.00 O ATOM 96 CB LYS A 7 88.120 4.079 24.711 1.00 0.00 C ATOM 97 CG LYS A 7 89.264 5.068 24.479 1.00 0.00 C ATOM 98 CD LYS A 7 89.611 5.131 22.985 1.00 0.00 C ATOM 99 CE LYS A 7 90.208 3.797 22.511 1.00 0.00 C ATOM 100 NZ LYS A 7 89.108 2.863 22.140 1.00 0.00 N ATOM 0 H LYS A 7 89.575 3.024 26.451 1.00 0.00 H new ATOM 0 HA LYS A 7 87.576 5.118 26.515 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.423 3.077 24.408 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.259 4.350 24.100 1.00 0.00 H new ATOM 0 HG2 LYS A 7 88.978 6.057 24.836 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.140 4.764 25.051 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.715 5.360 22.408 1.00 0.00 H new ATOM 0 HD3 LYS A 7 90.321 5.938 22.805 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.862 3.963 21.655 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.820 3.360 23.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 89.077 2.076 22.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 88.201 3.371 22.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 89.277 2.489 21.184 1.00 0.00 H new ATOM 114 N ALA A 8 86.584 1.980 26.444 1.00 0.00 N ATOM 115 CA ALA A 8 85.386 1.116 26.645 1.00 0.00 C ATOM 116 C ALA A 8 84.844 1.303 28.065 1.00 0.00 C ATOM 117 O ALA A 8 83.652 1.233 28.297 1.00 0.00 O ATOM 118 CB ALA A 8 85.771 -0.347 26.435 1.00 0.00 C ATOM 0 H ALA A 8 87.467 1.478 26.351 1.00 0.00 H new ATOM 0 HA ALA A 8 84.616 1.397 25.926 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.895 -0.979 26.582 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.150 -0.482 25.422 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.544 -0.626 27.151 1.00 0.00 H new ATOM 124 N GLN A 9 85.706 1.527 29.019 1.00 0.00 N ATOM 125 CA GLN A 9 85.231 1.704 30.423 1.00 0.00 C ATOM 126 C GLN A 9 84.321 2.937 30.496 1.00 0.00 C ATOM 127 O GLN A 9 84.634 3.980 29.961 1.00 0.00 O ATOM 128 CB GLN A 9 86.443 1.887 31.344 1.00 0.00 C ATOM 129 CG GLN A 9 85.973 2.067 32.788 1.00 0.00 C ATOM 130 CD GLN A 9 87.184 2.183 33.713 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.304 1.948 33.304 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.007 2.555 34.951 1.00 0.00 N ATOM 0 H GLN A 9 86.715 1.595 28.889 1.00 0.00 H new ATOM 0 HA GLN A 9 84.669 0.826 30.742 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.101 1.021 31.271 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.023 2.755 31.030 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.353 2.960 32.870 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.354 1.221 33.087 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.067 2.752 35.295 1.00 0.00 H new ATOM 0 HE22 GLN A 9 87.808 2.648 35.575 1.00 0.00 H new ATOM 141 N GLU A 10 83.187 2.818 31.143 1.00 0.00 N ATOM 142 CA GLU A 10 82.244 3.978 31.241 1.00 0.00 C ATOM 143 C GLU A 10 81.455 3.906 32.554 1.00 0.00 C ATOM 144 O GLU A 10 81.813 3.188 33.467 1.00 0.00 O ATOM 145 CB GLU A 10 81.262 3.946 30.066 1.00 0.00 C ATOM 146 CG GLU A 10 81.987 4.312 28.767 1.00 0.00 C ATOM 147 CD GLU A 10 80.976 4.358 27.619 1.00 0.00 C ATOM 148 OE1 GLU A 10 79.829 4.008 27.852 1.00 0.00 O ATOM 149 OE2 GLU A 10 81.362 4.745 26.528 1.00 0.00 O ATOM 0 H GLU A 10 82.873 1.967 31.608 1.00 0.00 H new ATOM 0 HA GLU A 10 82.821 4.902 31.215 1.00 0.00 H new ATOM 0 HB2 GLU A 10 80.820 2.954 29.978 1.00 0.00 H new ATOM 0 HB3 GLU A 10 80.445 4.645 30.245 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.480 5.279 28.872 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.765 3.579 28.552 1.00 0.00 H new ATOM 156 N GLU A 11 80.387 4.655 32.656 1.00 0.00 N ATOM 157 CA GLU A 11 79.571 4.643 33.909 1.00 0.00 C ATOM 158 C GLU A 11 78.764 3.340 33.982 1.00 0.00 C ATOM 159 O GLU A 11 78.468 2.725 32.976 1.00 0.00 O ATOM 160 CB GLU A 11 78.615 5.844 33.907 1.00 0.00 C ATOM 161 CG GLU A 11 79.421 7.137 34.081 1.00 0.00 C ATOM 162 CD GLU A 11 78.509 8.353 33.886 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.117 8.601 32.756 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.225 9.018 34.867 1.00 0.00 O ATOM 0 H GLU A 11 80.043 5.276 31.924 1.00 0.00 H new ATOM 0 HA GLU A 11 80.230 4.707 34.775 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.054 5.875 32.973 1.00 0.00 H new ATOM 0 HB3 GLU A 11 77.887 5.745 34.712 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.870 7.164 35.074 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.238 7.166 33.360 1.00 0.00 H new ATOM 171 N HIS A 12 78.415 2.912 35.168 1.00 0.00 N ATOM 172 CA HIS A 12 77.632 1.647 35.311 1.00 0.00 C ATOM 173 C HIS A 12 76.190 1.893 34.860 1.00 0.00 C ATOM 174 O HIS A 12 75.267 1.878 35.649 1.00 0.00 O ATOM 175 CB HIS A 12 77.659 1.220 36.782 1.00 0.00 C ATOM 176 CG HIS A 12 76.826 -0.016 36.992 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.321 -1.298 36.782 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.537 -0.182 37.437 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.341 -2.171 37.106 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.239 -1.538 37.507 1.00 0.00 N ATOM 0 H HIS A 12 78.638 3.384 36.044 1.00 0.00 H new ATOM 0 HA HIS A 12 78.065 0.859 34.695 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.686 1.029 37.092 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.282 2.029 37.408 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.859 0.619 37.693 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.439 -3.245 37.047 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.359 -1.961 37.804 1.00 0.00 H new ATOM 188 N GLU A 13 76.001 2.128 33.585 1.00 0.00 N ATOM 189 CA GLU A 13 74.631 2.391 33.043 1.00 0.00 C ATOM 190 C GLU A 13 74.092 1.123 32.360 1.00 0.00 C ATOM 191 O GLU A 13 74.417 0.014 32.738 1.00 0.00 O ATOM 192 CB GLU A 13 74.713 3.548 32.028 1.00 0.00 C ATOM 193 CG GLU A 13 73.405 4.351 32.021 1.00 0.00 C ATOM 194 CD GLU A 13 73.491 5.452 30.963 1.00 0.00 C ATOM 195 OE1 GLU A 13 74.557 5.617 30.394 1.00 0.00 O ATOM 196 OE2 GLU A 13 72.488 6.112 30.739 1.00 0.00 O ATOM 0 H GLU A 13 76.746 2.149 32.889 1.00 0.00 H new ATOM 0 HA GLU A 13 73.955 2.664 33.853 1.00 0.00 H new ATOM 0 HB2 GLU A 13 75.547 4.203 32.281 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.909 3.152 31.031 1.00 0.00 H new ATOM 0 HG2 GLU A 13 72.562 3.693 31.809 1.00 0.00 H new ATOM 0 HG3 GLU A 13 73.229 4.789 33.004 1.00 0.00 H new ATOM 203 N LYS A 14 73.270 1.288 31.357 1.00 0.00 N ATOM 204 CA LYS A 14 72.705 0.110 30.640 1.00 0.00 C ATOM 205 C LYS A 14 73.806 -0.582 29.833 1.00 0.00 C ATOM 206 O LYS A 14 73.784 -1.780 29.634 1.00 0.00 O ATOM 207 CB LYS A 14 71.600 0.568 29.682 1.00 0.00 C ATOM 208 CG LYS A 14 70.474 1.266 30.458 1.00 0.00 C ATOM 209 CD LYS A 14 69.735 0.263 31.356 1.00 0.00 C ATOM 210 CE LYS A 14 68.357 0.822 31.720 1.00 0.00 C ATOM 211 NZ LYS A 14 67.671 -0.113 32.657 1.00 0.00 N ATOM 0 H LYS A 14 72.965 2.194 31.003 1.00 0.00 H new ATOM 0 HA LYS A 14 72.293 -0.585 31.372 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.014 1.249 28.938 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.200 -0.290 29.141 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.888 2.070 31.066 1.00 0.00 H new ATOM 0 HG3 LYS A 14 69.773 1.723 29.760 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.627 -0.692 30.841 1.00 0.00 H new ATOM 0 HD3 LYS A 14 70.313 0.074 32.261 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.462 1.804 32.182 1.00 0.00 H new ATOM 0 HE3 LYS A 14 67.758 0.955 30.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.735 0.267 32.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.558 -1.041 32.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 68.240 -0.219 33.521 1.00 0.00 H new ATOM 225 N TYR A 15 74.756 0.169 29.341 1.00 0.00 N ATOM 226 CA TYR A 15 75.839 -0.443 28.519 1.00 0.00 C ATOM 227 C TYR A 15 76.583 -1.486 29.354 1.00 0.00 C ATOM 228 O TYR A 15 76.922 -2.548 28.872 1.00 0.00 O ATOM 229 CB TYR A 15 76.819 0.648 28.073 1.00 0.00 C ATOM 230 CG TYR A 15 76.246 1.394 26.887 1.00 0.00 C ATOM 231 CD1 TYR A 15 76.154 0.757 25.645 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.802 2.714 27.034 1.00 0.00 C ATOM 233 CE1 TYR A 15 75.619 1.440 24.548 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.265 3.397 25.936 1.00 0.00 C ATOM 235 CZ TYR A 15 75.174 2.759 24.693 1.00 0.00 C ATOM 236 OH TYR A 15 74.641 3.431 23.612 1.00 0.00 O ATOM 0 H TYR A 15 74.828 1.178 29.473 1.00 0.00 H new ATOM 0 HA TYR A 15 75.404 -0.922 27.642 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.006 1.340 28.894 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.777 0.203 27.806 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.496 -0.261 25.533 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.874 3.205 27.993 1.00 0.00 H new ATOM 0 HE1 TYR A 15 75.549 0.949 23.588 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.921 4.415 26.048 1.00 0.00 H new ATOM 0 HH TYR A 15 74.381 4.335 23.885 1.00 0.00 H new ATOM 246 N HIS A 16 76.826 -1.212 30.603 1.00 0.00 N ATOM 247 CA HIS A 16 77.530 -2.220 31.436 1.00 0.00 C ATOM 248 C HIS A 16 76.686 -3.496 31.472 1.00 0.00 C ATOM 249 O HIS A 16 77.203 -4.593 31.394 1.00 0.00 O ATOM 250 CB HIS A 16 77.721 -1.680 32.864 1.00 0.00 C ATOM 251 CG HIS A 16 78.969 -0.840 32.940 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.720 -0.736 34.106 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.615 -0.065 32.007 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.763 0.073 33.845 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.744 0.508 32.582 1.00 0.00 N ATOM 0 H HIS A 16 76.571 -0.346 31.078 1.00 0.00 H new ATOM 0 HA HIS A 16 78.511 -2.433 31.011 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.855 -1.085 33.154 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.789 -2.509 33.568 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.295 0.077 30.985 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.521 0.338 34.567 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.417 1.130 32.134 1.00 0.00 H new ATOM 263 N SER A 17 75.390 -3.366 31.574 1.00 0.00 N ATOM 264 CA SER A 17 74.535 -4.582 31.598 1.00 0.00 C ATOM 265 C SER A 17 74.657 -5.301 30.251 1.00 0.00 C ATOM 266 O SER A 17 74.822 -6.503 30.192 1.00 0.00 O ATOM 267 CB SER A 17 73.079 -4.182 31.844 1.00 0.00 C ATOM 268 OG SER A 17 72.575 -3.515 30.697 1.00 0.00 O ATOM 0 H SER A 17 74.893 -2.478 31.641 1.00 0.00 H new ATOM 0 HA SER A 17 74.859 -5.247 32.399 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.478 -5.066 32.058 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.011 -3.532 32.716 1.00 0.00 H new ATOM 0 HG SER A 17 73.072 -2.682 30.558 1.00 0.00 H new ATOM 274 N ASN A 18 74.594 -4.571 29.165 1.00 0.00 N ATOM 275 CA ASN A 18 74.725 -5.215 27.822 1.00 0.00 C ATOM 276 C ASN A 18 76.197 -5.190 27.404 1.00 0.00 C ATOM 277 O ASN A 18 76.625 -4.338 26.646 1.00 0.00 O ATOM 278 CB ASN A 18 73.886 -4.440 26.802 1.00 0.00 C ATOM 279 CG ASN A 18 72.400 -4.662 27.100 1.00 0.00 C ATOM 280 OD1 ASN A 18 72.021 -5.689 27.627 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.537 -3.735 26.781 1.00 0.00 N ATOM 0 H ASN A 18 74.458 -3.560 29.150 1.00 0.00 H new ATOM 0 HA ASN A 18 74.372 -6.245 27.866 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.124 -3.377 26.850 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.120 -4.774 25.791 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.545 -3.873 26.974 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.855 -2.873 26.339 1.00 0.00 H new ATOM 288 N TRP A 19 76.973 -6.113 27.897 1.00 0.00 N ATOM 289 CA TRP A 19 78.422 -6.146 27.546 1.00 0.00 C ATOM 290 C TRP A 19 78.598 -6.557 26.079 1.00 0.00 C ATOM 291 O TRP A 19 79.575 -6.212 25.445 1.00 0.00 O ATOM 292 CB TRP A 19 79.158 -7.121 28.469 1.00 0.00 C ATOM 293 CG TRP A 19 78.695 -8.520 28.224 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.769 -9.172 28.962 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.126 -9.454 27.191 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.604 -10.447 28.451 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.418 -10.668 27.358 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.052 -9.369 26.134 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.622 -11.755 26.510 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.258 -10.462 25.279 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.545 -11.653 25.466 1.00 0.00 C ATOM 0 H TRP A 19 76.666 -6.850 28.531 1.00 0.00 H new ATOM 0 HA TRP A 19 78.846 -5.151 27.679 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.232 -7.052 28.299 1.00 0.00 H new ATOM 0 HB3 TRP A 19 78.982 -6.850 29.510 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.243 -8.764 29.813 1.00 0.00 H new ATOM 0 HE1 TRP A 19 76.960 -11.139 28.835 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.608 -8.456 25.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.070 -12.671 26.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.971 -10.385 24.471 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.708 -12.491 24.804 1.00 0.00 H new ATOM 312 N ARG A 20 77.667 -7.297 25.533 1.00 0.00 N ATOM 313 CA ARG A 20 77.800 -7.725 24.108 1.00 0.00 C ATOM 314 C ARG A 20 77.854 -6.496 23.196 1.00 0.00 C ATOM 315 O ARG A 20 78.611 -6.453 22.245 1.00 0.00 O ATOM 316 CB ARG A 20 76.591 -8.576 23.710 1.00 0.00 C ATOM 317 CG ARG A 20 76.645 -9.937 24.407 1.00 0.00 C ATOM 318 CD ARG A 20 75.423 -10.758 23.986 1.00 0.00 C ATOM 319 NE ARG A 20 75.367 -12.029 24.779 1.00 0.00 N ATOM 320 CZ ARG A 20 76.332 -12.907 24.738 1.00 0.00 C ATOM 321 NH1 ARG A 20 77.309 -12.776 23.885 1.00 0.00 N ATOM 322 NH2 ARG A 20 76.296 -13.946 25.527 1.00 0.00 N ATOM 0 H ARG A 20 76.825 -7.622 26.009 1.00 0.00 H new ATOM 0 HA ARG A 20 78.717 -8.305 24.001 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.670 -8.059 23.979 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.575 -8.714 22.629 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.562 -10.462 24.139 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.657 -9.806 25.489 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.513 -10.180 24.144 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.475 -10.985 22.921 1.00 0.00 H new ATOM 0 HE ARG A 20 74.553 -12.213 25.366 1.00 0.00 H new ATOM 0 HH11 ARG A 20 77.323 -11.983 23.243 1.00 0.00 H new ATOM 0 HH12 ARG A 20 78.059 -13.466 23.859 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.516 -14.069 26.172 1.00 0.00 H new ATOM 0 HH22 ARG A 20 77.048 -14.635 25.498 1.00 0.00 H new ATOM 336 N ALA A 21 77.059 -5.501 23.474 1.00 0.00 N ATOM 337 CA ALA A 21 77.070 -4.281 22.617 1.00 0.00 C ATOM 338 C ALA A 21 78.466 -3.655 22.638 1.00 0.00 C ATOM 339 O ALA A 21 78.967 -3.191 21.635 1.00 0.00 O ATOM 340 CB ALA A 21 76.048 -3.272 23.146 1.00 0.00 C ATOM 0 H ALA A 21 76.403 -5.479 24.255 1.00 0.00 H new ATOM 0 HA ALA A 21 76.810 -4.555 21.594 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.058 -2.381 22.518 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.054 -3.718 23.128 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.304 -2.997 24.169 1.00 0.00 H new ATOM 346 N MET A 22 79.095 -3.636 23.780 1.00 0.00 N ATOM 347 CA MET A 22 80.454 -3.039 23.879 1.00 0.00 C ATOM 348 C MET A 22 81.417 -3.793 22.961 1.00 0.00 C ATOM 349 O MET A 22 82.221 -3.203 22.264 1.00 0.00 O ATOM 350 CB MET A 22 80.946 -3.161 25.324 1.00 0.00 C ATOM 351 CG MET A 22 82.233 -2.354 25.512 1.00 0.00 C ATOM 352 SD MET A 22 83.095 -2.956 26.982 1.00 0.00 S ATOM 353 CE MET A 22 81.782 -2.608 28.175 1.00 0.00 C ATOM 0 H MET A 22 78.723 -4.011 24.653 1.00 0.00 H new ATOM 0 HA MET A 22 80.414 -1.991 23.581 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.179 -2.801 26.009 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.125 -4.208 25.568 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.871 -2.453 24.634 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.001 -1.294 25.619 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.210 -2.530 29.174 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.294 -1.669 27.915 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.050 -3.415 28.156 1.00 0.00 H new ATOM 363 N ALA A 23 81.348 -5.092 22.962 1.00 0.00 N ATOM 364 CA ALA A 23 82.261 -5.891 22.101 1.00 0.00 C ATOM 365 C ALA A 23 81.999 -5.563 20.628 1.00 0.00 C ATOM 366 O ALA A 23 82.912 -5.380 19.844 1.00 0.00 O ATOM 367 CB ALA A 23 82.000 -7.379 22.346 1.00 0.00 C ATOM 0 H ALA A 23 80.696 -5.638 23.525 1.00 0.00 H new ATOM 0 HA ALA A 23 83.297 -5.651 22.343 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.665 -7.973 21.719 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.185 -7.613 23.394 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.964 -7.612 22.099 1.00 0.00 H new ATOM 373 N SER A 24 80.751 -5.504 20.248 1.00 0.00 N ATOM 374 CA SER A 24 80.402 -5.206 18.828 1.00 0.00 C ATOM 375 C SER A 24 80.791 -3.770 18.468 1.00 0.00 C ATOM 376 O SER A 24 81.265 -3.501 17.382 1.00 0.00 O ATOM 377 CB SER A 24 78.898 -5.387 18.633 1.00 0.00 C ATOM 378 OG SER A 24 78.566 -6.760 18.782 1.00 0.00 O ATOM 0 H SER A 24 79.952 -5.651 20.865 1.00 0.00 H new ATOM 0 HA SER A 24 80.950 -5.889 18.179 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.351 -4.788 19.361 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.603 -5.035 17.644 1.00 0.00 H new ATOM 0 HG SER A 24 77.601 -6.878 18.659 1.00 0.00 H new ATOM 384 N ASP A 25 80.575 -2.845 19.358 1.00 0.00 N ATOM 385 CA ASP A 25 80.917 -1.429 19.053 1.00 0.00 C ATOM 386 C ASP A 25 82.425 -1.293 18.829 1.00 0.00 C ATOM 387 O ASP A 25 82.868 -0.583 17.949 1.00 0.00 O ATOM 388 CB ASP A 25 80.482 -0.545 20.225 1.00 0.00 C ATOM 389 CG ASP A 25 80.676 0.928 19.861 1.00 0.00 C ATOM 390 OD1 ASP A 25 79.761 1.500 19.291 1.00 0.00 O ATOM 391 OD2 ASP A 25 81.731 1.460 20.164 1.00 0.00 O ATOM 0 H ASP A 25 80.177 -3.007 20.283 1.00 0.00 H new ATOM 0 HA ASP A 25 80.399 -1.115 18.147 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.436 -0.735 20.467 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.065 -0.790 21.113 1.00 0.00 H new ATOM 396 N PHE A 26 83.216 -1.970 19.622 1.00 0.00 N ATOM 397 CA PHE A 26 84.706 -1.885 19.468 1.00 0.00 C ATOM 398 C PHE A 26 85.224 -3.110 18.709 1.00 0.00 C ATOM 399 O PHE A 26 86.413 -3.282 18.532 1.00 0.00 O ATOM 400 CB PHE A 26 85.357 -1.834 20.851 1.00 0.00 C ATOM 401 CG PHE A 26 85.108 -0.481 21.475 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.950 0.596 21.169 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.035 -0.302 22.357 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.719 1.851 21.747 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.804 0.952 22.931 1.00 0.00 C ATOM 406 CZ PHE A 26 84.646 2.029 22.627 1.00 0.00 C ATOM 0 H PHE A 26 82.896 -2.581 20.373 1.00 0.00 H new ATOM 0 HA PHE A 26 84.957 -0.984 18.908 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.949 -2.620 21.486 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.428 -2.016 20.767 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.777 0.459 20.488 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.386 -1.132 22.594 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.369 2.681 21.513 1.00 0.00 H new ATOM 0 HE2 PHE A 26 82.975 1.090 23.610 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.467 2.997 23.072 1.00 0.00 H new ATOM 416 N ASN A 27 84.341 -3.956 18.251 1.00 0.00 N ATOM 417 CA ASN A 27 84.781 -5.161 17.490 1.00 0.00 C ATOM 418 C ASN A 27 85.835 -5.943 18.287 1.00 0.00 C ATOM 419 O ASN A 27 86.847 -6.346 17.749 1.00 0.00 O ATOM 420 CB ASN A 27 85.380 -4.730 16.148 1.00 0.00 C ATOM 421 CG ASN A 27 84.275 -4.186 15.241 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.113 -4.471 15.441 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.595 -3.403 14.246 1.00 0.00 N ATOM 0 H ASN A 27 83.332 -3.865 18.371 1.00 0.00 H new ATOM 0 HA ASN A 27 83.916 -5.802 17.321 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.142 -3.967 16.307 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.872 -5.577 15.670 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.867 -3.030 13.636 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.572 -3.164 14.079 1.00 0.00 H new ATOM 430 N LEU A 28 85.602 -6.172 19.558 1.00 0.00 N ATOM 431 CA LEU A 28 86.584 -6.949 20.394 1.00 0.00 C ATOM 432 C LEU A 28 85.881 -8.212 20.898 1.00 0.00 C ATOM 433 O LEU A 28 84.682 -8.211 21.081 1.00 0.00 O ATOM 434 CB LEU A 28 87.013 -6.108 21.603 1.00 0.00 C ATOM 435 CG LEU A 28 87.880 -4.926 21.143 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.901 -3.852 22.236 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.321 -5.392 20.865 1.00 0.00 C ATOM 0 H LEU A 28 84.771 -5.854 20.058 1.00 0.00 H new ATOM 0 HA LEU A 28 87.462 -7.202 19.800 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.133 -5.740 22.130 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.571 -6.726 22.306 1.00 0.00 H new ATOM 0 HG LEU A 28 87.456 -4.517 20.226 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.516 -3.013 21.910 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.885 -3.505 22.425 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.317 -4.273 23.152 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.922 -4.543 20.540 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.749 -5.813 21.775 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.313 -6.151 20.083 1.00 0.00 H new ATOM 449 N PRO A 29 86.600 -9.282 21.130 1.00 0.00 N ATOM 450 CA PRO A 29 85.976 -10.537 21.622 1.00 0.00 C ATOM 451 C PRO A 29 85.527 -10.396 23.086 1.00 0.00 C ATOM 452 O PRO A 29 86.103 -9.636 23.839 1.00 0.00 O ATOM 453 CB PRO A 29 87.093 -11.582 21.479 1.00 0.00 C ATOM 454 CG PRO A 29 88.361 -10.797 21.573 1.00 0.00 C ATOM 455 CD PRO A 29 88.058 -9.427 20.957 1.00 0.00 C ATOM 0 HA PRO A 29 85.077 -10.806 21.067 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.034 -12.335 22.265 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.023 -12.109 20.527 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.681 -10.696 22.610 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.169 -11.295 21.037 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.603 -8.630 21.464 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.342 -9.389 19.905 1.00 0.00 H new ATOM 463 N PRO A 30 84.510 -11.115 23.494 1.00 0.00 N ATOM 464 CA PRO A 30 84.004 -11.047 24.893 1.00 0.00 C ATOM 465 C PRO A 30 85.143 -11.002 25.926 1.00 0.00 C ATOM 466 O PRO A 30 84.942 -10.648 27.067 1.00 0.00 O ATOM 467 CB PRO A 30 83.197 -12.347 25.048 1.00 0.00 C ATOM 468 CG PRO A 30 82.745 -12.714 23.664 1.00 0.00 C ATOM 469 CD PRO A 30 83.737 -12.072 22.678 1.00 0.00 C ATOM 0 HA PRO A 30 83.421 -10.143 25.068 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.809 -13.138 25.482 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.345 -12.202 25.712 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.725 -13.797 23.540 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.733 -12.354 23.481 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.386 -12.821 22.225 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.216 -11.568 21.864 1.00 0.00 H new ATOM 477 N VAL A 31 86.329 -11.384 25.542 1.00 0.00 N ATOM 478 CA VAL A 31 87.450 -11.394 26.524 1.00 0.00 C ATOM 479 C VAL A 31 87.698 -9.997 27.088 1.00 0.00 C ATOM 480 O VAL A 31 87.770 -9.809 28.286 1.00 0.00 O ATOM 481 CB VAL A 31 88.722 -11.886 25.828 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.929 -11.723 26.759 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.563 -13.359 25.455 1.00 0.00 C ATOM 0 H VAL A 31 86.570 -11.688 24.599 1.00 0.00 H new ATOM 0 HA VAL A 31 87.184 -12.058 27.347 1.00 0.00 H new ATOM 0 HB VAL A 31 88.885 -11.295 24.927 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.828 -12.076 26.254 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.048 -10.671 27.019 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.770 -12.306 27.666 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.469 -13.709 24.960 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.393 -13.946 26.357 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.714 -13.474 24.782 1.00 0.00 H new ATOM 493 N VAL A 32 87.840 -9.017 26.251 1.00 0.00 N ATOM 494 CA VAL A 32 88.096 -7.652 26.775 1.00 0.00 C ATOM 495 C VAL A 32 86.844 -7.132 27.479 1.00 0.00 C ATOM 496 O VAL A 32 86.913 -6.545 28.539 1.00 0.00 O ATOM 497 CB VAL A 32 88.485 -6.724 25.625 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.548 -5.279 26.127 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.859 -7.139 25.093 1.00 0.00 C ATOM 0 H VAL A 32 87.791 -9.098 25.235 1.00 0.00 H new ATOM 0 HA VAL A 32 88.916 -7.683 27.492 1.00 0.00 H new ATOM 0 HB VAL A 32 87.743 -6.795 24.830 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.826 -4.620 25.304 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.572 -4.985 26.514 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.291 -5.202 26.921 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.145 -6.482 24.272 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.597 -7.063 25.892 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.815 -8.168 24.736 1.00 0.00 H new ATOM 509 N ALA A 33 85.694 -7.349 26.903 1.00 0.00 N ATOM 510 CA ALA A 33 84.442 -6.869 27.551 1.00 0.00 C ATOM 511 C ALA A 33 84.251 -7.579 28.897 1.00 0.00 C ATOM 512 O ALA A 33 83.869 -6.972 29.878 1.00 0.00 O ATOM 513 CB ALA A 33 83.245 -7.158 26.636 1.00 0.00 C ATOM 0 H ALA A 33 85.567 -7.836 26.016 1.00 0.00 H new ATOM 0 HA ALA A 33 84.513 -5.795 27.721 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.330 -6.806 27.112 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.381 -6.642 25.685 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.173 -8.231 26.460 1.00 0.00 H new ATOM 519 N LYS A 34 84.518 -8.858 28.952 1.00 0.00 N ATOM 520 CA LYS A 34 84.358 -9.605 30.235 1.00 0.00 C ATOM 521 C LYS A 34 85.286 -9.026 31.306 1.00 0.00 C ATOM 522 O LYS A 34 84.923 -8.920 32.463 1.00 0.00 O ATOM 523 CB LYS A 34 84.655 -11.091 30.011 1.00 0.00 C ATOM 524 CG LYS A 34 83.509 -11.751 29.217 1.00 0.00 C ATOM 525 CD LYS A 34 82.344 -12.111 30.154 1.00 0.00 C ATOM 526 CE LYS A 34 81.300 -12.935 29.394 1.00 0.00 C ATOM 527 NZ LYS A 34 80.278 -13.434 30.356 1.00 0.00 N ATOM 0 H LYS A 34 84.840 -9.418 28.163 1.00 0.00 H new ATOM 0 HA LYS A 34 83.330 -9.501 30.582 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.594 -11.204 29.469 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.778 -11.593 30.971 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.161 -11.073 28.438 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.874 -12.649 28.719 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.715 -12.677 31.009 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.887 -11.202 30.547 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.826 -12.325 28.625 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.779 -13.772 28.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.566 -13.995 29.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.738 -14.029 31.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.815 -12.627 30.821 1.00 0.00 H new ATOM 541 N GLU A 35 86.491 -8.672 30.947 1.00 0.00 N ATOM 542 CA GLU A 35 87.432 -8.123 31.963 1.00 0.00 C ATOM 543 C GLU A 35 86.848 -6.852 32.583 1.00 0.00 C ATOM 544 O GLU A 35 86.946 -6.637 33.773 1.00 0.00 O ATOM 545 CB GLU A 35 88.775 -7.803 31.288 1.00 0.00 C ATOM 546 CG GLU A 35 89.751 -7.194 32.308 1.00 0.00 C ATOM 547 CD GLU A 35 89.466 -5.699 32.486 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.110 -5.061 31.507 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.617 -5.215 33.595 1.00 0.00 O ATOM 0 H GLU A 35 86.862 -8.739 29.999 1.00 0.00 H new ATOM 0 HA GLU A 35 87.585 -8.861 32.751 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.202 -8.711 30.863 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.619 -7.108 30.463 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.655 -7.706 33.265 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.778 -7.338 31.971 1.00 0.00 H new ATOM 556 N ILE A 36 86.225 -6.017 31.802 1.00 0.00 N ATOM 557 CA ILE A 36 85.632 -4.777 32.377 1.00 0.00 C ATOM 558 C ILE A 36 84.515 -5.183 33.344 1.00 0.00 C ATOM 559 O ILE A 36 84.366 -4.618 34.408 1.00 0.00 O ATOM 560 CB ILE A 36 85.070 -3.915 31.244 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.202 -3.630 30.245 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.537 -2.589 31.809 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.785 -2.537 29.253 1.00 0.00 C ATOM 0 H ILE A 36 86.100 -6.137 30.797 1.00 0.00 H new ATOM 0 HA ILE A 36 86.386 -4.200 32.912 1.00 0.00 H new ATOM 0 HB ILE A 36 84.252 -4.439 30.750 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.098 -3.319 30.782 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.455 -4.542 29.704 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.139 -1.981 30.997 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.746 -2.793 32.531 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.347 -2.051 32.301 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.600 -2.350 28.554 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.903 -2.863 28.702 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.556 -1.621 29.797 1.00 0.00 H new ATOM 575 N VAL A 37 83.744 -6.170 32.985 1.00 0.00 N ATOM 576 CA VAL A 37 82.649 -6.633 33.882 1.00 0.00 C ATOM 577 C VAL A 37 83.258 -7.158 35.185 1.00 0.00 C ATOM 578 O VAL A 37 82.743 -6.931 36.261 1.00 0.00 O ATOM 579 CB VAL A 37 81.860 -7.743 33.180 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.890 -8.404 34.168 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.069 -7.133 32.017 1.00 0.00 C ATOM 0 H VAL A 37 83.825 -6.679 32.105 1.00 0.00 H new ATOM 0 HA VAL A 37 81.975 -5.808 34.111 1.00 0.00 H new ATOM 0 HB VAL A 37 82.551 -8.498 32.805 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.334 -9.192 33.660 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.452 -8.834 34.997 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.194 -7.657 34.550 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.504 -7.916 31.511 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.381 -6.379 32.400 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.759 -6.670 31.311 1.00 0.00 H new ATOM 591 N ALA A 38 84.353 -7.860 35.089 1.00 0.00 N ATOM 592 CA ALA A 38 85.008 -8.404 36.313 1.00 0.00 C ATOM 593 C ALA A 38 85.573 -7.253 37.146 1.00 0.00 C ATOM 594 O ALA A 38 85.595 -7.304 38.359 1.00 0.00 O ATOM 595 CB ALA A 38 86.146 -9.344 35.906 1.00 0.00 C ATOM 0 H ALA A 38 84.825 -8.081 34.212 1.00 0.00 H new ATOM 0 HA ALA A 38 84.274 -8.953 36.903 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.626 -9.743 36.800 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.745 -10.166 35.313 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.879 -8.794 35.315 1.00 0.00 H new ATOM 601 N SER A 39 86.040 -6.216 36.504 1.00 0.00 N ATOM 602 CA SER A 39 86.611 -5.067 37.260 1.00 0.00 C ATOM 603 C SER A 39 85.485 -4.290 37.941 1.00 0.00 C ATOM 604 O SER A 39 85.623 -3.833 39.057 1.00 0.00 O ATOM 605 CB SER A 39 87.356 -4.145 36.296 1.00 0.00 C ATOM 606 OG SER A 39 88.443 -4.854 35.716 1.00 0.00 O ATOM 0 H SER A 39 86.050 -6.116 35.489 1.00 0.00 H new ATOM 0 HA SER A 39 87.302 -5.439 38.017 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.680 -3.791 35.517 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.721 -3.265 36.825 1.00 0.00 H new ATOM 0 HG SER A 39 88.662 -4.462 34.845 1.00 0.00 H new ATOM 612 N CYS A 40 84.374 -4.138 37.283 1.00 0.00 N ATOM 613 CA CYS A 40 83.246 -3.388 37.900 1.00 0.00 C ATOM 614 C CYS A 40 82.601 -4.250 38.991 1.00 0.00 C ATOM 615 O CYS A 40 82.000 -5.271 38.721 1.00 0.00 O ATOM 616 CB CYS A 40 82.214 -3.046 36.825 1.00 0.00 C ATOM 617 SG CYS A 40 81.091 -1.771 37.448 1.00 0.00 S ATOM 0 H CYS A 40 84.196 -4.499 36.346 1.00 0.00 H new ATOM 0 HA CYS A 40 83.616 -2.464 38.345 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.716 -2.694 35.923 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.651 -3.938 36.550 1.00 0.00 H new ATOM 622 N ASP A 41 82.737 -3.844 40.224 1.00 0.00 N ATOM 623 CA ASP A 41 82.154 -4.624 41.357 1.00 0.00 C ATOM 624 C ASP A 41 80.636 -4.728 41.198 1.00 0.00 C ATOM 625 O ASP A 41 80.043 -5.754 41.476 1.00 0.00 O ATOM 626 CB ASP A 41 82.468 -3.915 42.676 1.00 0.00 C ATOM 627 CG ASP A 41 83.951 -4.087 43.014 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.362 -5.215 43.237 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.648 -3.087 43.053 1.00 0.00 O ATOM 0 H ASP A 41 83.232 -2.996 40.499 1.00 0.00 H new ATOM 0 HA ASP A 41 82.587 -5.624 41.357 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.223 -2.856 42.598 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.853 -4.326 43.476 1.00 0.00 H new ATOM 634 N LYS A 42 80.001 -3.673 40.780 1.00 0.00 N ATOM 635 CA LYS A 42 78.517 -3.705 40.627 1.00 0.00 C ATOM 636 C LYS A 42 78.114 -4.787 39.627 1.00 0.00 C ATOM 637 O LYS A 42 77.189 -5.541 39.854 1.00 0.00 O ATOM 638 CB LYS A 42 78.038 -2.352 40.108 1.00 0.00 C ATOM 639 CG LYS A 42 78.199 -1.298 41.198 1.00 0.00 C ATOM 640 CD LYS A 42 77.718 0.053 40.672 1.00 0.00 C ATOM 641 CE LYS A 42 77.877 1.109 41.767 1.00 0.00 C ATOM 642 NZ LYS A 42 77.527 2.448 41.221 1.00 0.00 N ATOM 0 H LYS A 42 80.443 -2.787 40.536 1.00 0.00 H new ATOM 0 HA LYS A 42 78.065 -3.921 41.595 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.610 -2.067 39.225 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.994 -2.417 39.803 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.626 -1.582 42.081 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.243 -1.231 41.503 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.292 0.338 39.790 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.674 -0.014 40.365 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.233 0.870 42.613 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.902 1.112 42.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.635 3.166 41.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.159 2.675 40.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.542 2.440 40.888 1.00 0.00 H new ATOM 656 N CYS A 43 78.791 -4.864 38.516 1.00 0.00 N ATOM 657 CA CYS A 43 78.432 -5.895 37.504 1.00 0.00 C ATOM 658 C CYS A 43 78.972 -7.261 37.936 1.00 0.00 C ATOM 659 O CYS A 43 78.376 -8.288 37.677 1.00 0.00 O ATOM 660 CB CYS A 43 79.058 -5.540 36.158 1.00 0.00 C ATOM 661 SG CYS A 43 78.626 -3.845 35.698 1.00 0.00 S ATOM 0 H CYS A 43 79.574 -4.260 38.266 1.00 0.00 H new ATOM 0 HA CYS A 43 77.346 -5.931 37.417 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.142 -5.645 36.213 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.709 -6.233 35.392 1.00 0.00 H new ATOM 666 N GLN A 44 80.113 -7.280 38.570 1.00 0.00 N ATOM 667 CA GLN A 44 80.717 -8.577 38.990 1.00 0.00 C ATOM 668 C GLN A 44 80.033 -9.100 40.249 1.00 0.00 C ATOM 669 O GLN A 44 79.331 -10.091 40.222 1.00 0.00 O ATOM 670 CB GLN A 44 82.211 -8.381 39.265 1.00 0.00 C ATOM 671 CG GLN A 44 82.853 -9.732 39.611 1.00 0.00 C ATOM 672 CD GLN A 44 84.355 -9.549 39.841 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.794 -8.447 40.384 1.00 0.00 O ATOM 674 NE2 GLN A 44 85.138 -10.425 39.530 1.00 0.00 N ATOM 0 H GLN A 44 80.654 -6.451 38.816 1.00 0.00 H new ATOM 0 HA GLN A 44 80.582 -9.303 38.188 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.698 -7.949 38.391 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.351 -7.679 40.087 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.387 -10.148 40.504 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.684 -10.443 38.802 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.796 -11.287 39.105 1.00 0.00 H new ATOM 0 HE22 GLN A 44 86.137 -10.298 39.694 1.00 0.00 H new ATOM 683 N LEU A 45 80.246 -8.458 41.357 1.00 0.00 N ATOM 684 CA LEU A 45 79.622 -8.938 42.619 1.00 0.00 C ATOM 685 C LEU A 45 78.111 -8.703 42.566 1.00 0.00 C ATOM 686 O LEU A 45 77.647 -7.679 42.100 1.00 0.00 O ATOM 687 CB LEU A 45 80.223 -8.171 43.801 1.00 0.00 C ATOM 688 CG LEU A 45 81.747 -8.371 43.832 1.00 0.00 C ATOM 689 CD1 LEU A 45 82.338 -7.542 44.977 1.00 0.00 C ATOM 690 CD2 LEU A 45 82.085 -9.859 44.044 1.00 0.00 C ATOM 0 H LEU A 45 80.824 -7.622 41.446 1.00 0.00 H new ATOM 0 HA LEU A 45 79.814 -10.004 42.741 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.988 -7.110 43.715 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.782 -8.520 44.735 1.00 0.00 H new ATOM 0 HG LEU A 45 82.171 -8.047 42.882 1.00 0.00 H new ATOM 0 HD11 LEU A 45 83.419 -7.679 45.005 1.00 0.00 H new ATOM 0 HD12 LEU A 45 82.110 -6.488 44.819 1.00 0.00 H new ATOM 0 HD13 LEU A 45 81.906 -7.868 45.923 1.00 0.00 H new ATOM 0 HD21 LEU A 45 83.167 -9.987 44.064 1.00 0.00 H new ATOM 0 HD22 LEU A 45 81.662 -10.197 44.990 1.00 0.00 H new ATOM 0 HD23 LEU A 45 81.665 -10.447 43.228 1.00 0.00 H new ATOM 702 N LYS A 46 77.339 -9.642 43.047 1.00 0.00 N ATOM 703 CA LYS A 46 75.857 -9.476 43.032 1.00 0.00 C ATOM 704 C LYS A 46 75.437 -8.703 44.285 1.00 0.00 C ATOM 705 O LYS A 46 76.047 -8.824 45.328 1.00 0.00 O ATOM 706 CB LYS A 46 75.193 -10.855 43.035 1.00 0.00 C ATOM 707 CG LYS A 46 75.580 -11.601 44.313 1.00 0.00 C ATOM 708 CD LYS A 46 75.227 -13.082 44.172 1.00 0.00 C ATOM 709 CE LYS A 46 73.717 -13.242 43.993 1.00 0.00 C ATOM 710 NZ LYS A 46 73.332 -14.653 44.272 1.00 0.00 N ATOM 0 H LYS A 46 77.672 -10.518 43.450 1.00 0.00 H new ATOM 0 HA LYS A 46 75.550 -8.931 42.140 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.110 -10.750 42.976 1.00 0.00 H new ATOM 0 HB3 LYS A 46 75.506 -11.424 42.159 1.00 0.00 H new ATOM 0 HG2 LYS A 46 76.647 -11.488 44.502 1.00 0.00 H new ATOM 0 HG3 LYS A 46 75.057 -11.172 45.168 1.00 0.00 H new ATOM 0 HD2 LYS A 46 75.751 -13.510 43.317 1.00 0.00 H new ATOM 0 HD3 LYS A 46 75.557 -13.629 45.055 1.00 0.00 H new ATOM 0 HE2 LYS A 46 73.187 -12.569 44.667 1.00 0.00 H new ATOM 0 HE3 LYS A 46 73.429 -12.969 42.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 72.305 -14.763 44.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 73.828 -15.285 43.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 73.593 -14.898 45.248 1.00 0.00 H new ATOM 724 N GLY A 47 74.412 -7.902 44.195 1.00 0.00 N ATOM 725 CA GLY A 47 73.976 -7.119 45.389 1.00 0.00 C ATOM 726 C GLY A 47 73.234 -8.026 46.374 1.00 0.00 C ATOM 727 O GLY A 47 72.707 -9.060 46.009 1.00 0.00 O ATOM 0 H GLY A 47 73.858 -7.755 43.351 1.00 0.00 H new ATOM 0 HA2 GLY A 47 74.843 -6.673 45.877 1.00 0.00 H new ATOM 0 HA3 GLY A 47 73.328 -6.300 45.079 1.00 0.00 H new ATOM 731 N GLU A 48 73.187 -7.638 47.624 1.00 0.00 N ATOM 732 CA GLU A 48 72.476 -8.462 48.654 1.00 0.00 C ATOM 733 C GLU A 48 73.029 -9.889 48.663 1.00 0.00 C ATOM 734 O GLU A 48 72.322 -10.839 48.399 1.00 0.00 O ATOM 735 CB GLU A 48 70.972 -8.505 48.354 1.00 0.00 C ATOM 736 CG GLU A 48 70.371 -7.103 48.488 1.00 0.00 C ATOM 737 CD GLU A 48 70.461 -6.636 49.942 1.00 0.00 C ATOM 738 OE1 GLU A 48 70.258 -7.455 50.821 1.00 0.00 O ATOM 739 OE2 GLU A 48 70.736 -5.464 50.151 1.00 0.00 O ATOM 0 H GLU A 48 73.612 -6.781 47.979 1.00 0.00 H new ATOM 0 HA GLU A 48 72.637 -8.005 49.630 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.804 -8.887 47.347 1.00 0.00 H new ATOM 0 HB3 GLU A 48 70.475 -9.190 49.041 1.00 0.00 H new ATOM 0 HG2 GLU A 48 70.902 -6.406 47.839 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.331 -7.111 48.163 1.00 0.00 H new ATOM 746 N ALA A 49 74.289 -10.050 48.975 1.00 0.00 N ATOM 747 CA ALA A 49 74.878 -11.421 49.014 1.00 0.00 C ATOM 748 C ALA A 49 73.972 -12.331 49.847 1.00 0.00 C ATOM 749 O ALA A 49 73.008 -11.885 50.439 1.00 0.00 O ATOM 750 CB ALA A 49 76.270 -11.365 49.648 1.00 0.00 C ATOM 0 H ALA A 49 74.934 -9.293 49.204 1.00 0.00 H new ATOM 0 HA ALA A 49 74.962 -11.813 48.000 1.00 0.00 H new ATOM 0 HB1 ALA A 49 76.698 -12.367 49.675 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.913 -10.712 49.058 1.00 0.00 H new ATOM 0 HB3 ALA A 49 76.192 -10.976 50.663 1.00 0.00 H new ATOM 756 N MET A 50 74.264 -13.600 49.893 1.00 0.00 N ATOM 757 CA MET A 50 73.404 -14.525 50.681 1.00 0.00 C ATOM 758 C MET A 50 73.261 -13.990 52.104 1.00 0.00 C ATOM 759 O MET A 50 74.215 -13.539 52.708 1.00 0.00 O ATOM 760 CB MET A 50 74.042 -15.913 50.724 1.00 0.00 C ATOM 761 CG MET A 50 74.022 -16.527 49.325 1.00 0.00 C ATOM 762 SD MET A 50 74.748 -18.186 49.379 1.00 0.00 S ATOM 763 CE MET A 50 74.374 -18.641 47.667 1.00 0.00 C ATOM 0 H MET A 50 75.057 -14.035 49.422 1.00 0.00 H new ATOM 0 HA MET A 50 72.422 -14.594 50.212 1.00 0.00 H new ATOM 0 HB2 MET A 50 75.067 -15.842 51.087 1.00 0.00 H new ATOM 0 HB3 MET A 50 73.500 -16.552 51.421 1.00 0.00 H new ATOM 0 HG2 MET A 50 72.998 -16.579 48.954 1.00 0.00 H new ATOM 0 HG3 MET A 50 74.580 -15.897 48.632 1.00 0.00 H new ATOM 0 HE1 MET A 50 74.739 -19.649 47.470 1.00 0.00 H new ATOM 0 HE2 MET A 50 73.296 -18.608 47.509 1.00 0.00 H new ATOM 0 HE3 MET A 50 74.862 -17.940 46.989 1.00 0.00 H new ATOM 773 N HIS A 51 72.068 -14.031 52.641 1.00 0.00 N ATOM 774 CA HIS A 51 71.829 -13.525 54.031 1.00 0.00 C ATOM 775 C HIS A 51 71.228 -14.649 54.879 1.00 0.00 C ATOM 776 O HIS A 51 71.082 -14.525 56.079 1.00 0.00 O ATOM 777 CB HIS A 51 70.844 -12.359 53.978 1.00 0.00 C ATOM 778 CG HIS A 51 70.593 -11.860 55.372 1.00 0.00 C ATOM 779 ND1 HIS A 51 69.632 -12.427 56.196 1.00 0.00 N ATOM 780 CD2 HIS A 51 71.170 -10.851 56.103 1.00 0.00 C ATOM 781 CE1 HIS A 51 69.658 -11.764 57.366 1.00 0.00 C ATOM 782 NE2 HIS A 51 70.577 -10.795 57.359 1.00 0.00 N ATOM 0 H HIS A 51 71.239 -14.397 52.172 1.00 0.00 H new ATOM 0 HA HIS A 51 72.771 -13.194 54.469 1.00 0.00 H new ATOM 0 HB2 HIS A 51 71.245 -11.557 53.359 1.00 0.00 H new ATOM 0 HB3 HIS A 51 69.908 -12.679 53.519 1.00 0.00 H new ATOM 0 HD2 HIS A 51 71.961 -10.202 55.756 1.00 0.00 H new ATOM 0 HE1 HIS A 51 69.016 -11.987 58.206 1.00 0.00 H new ATOM 0 HE2 HIS A 51 70.798 -10.149 58.117 1.00 0.00 H new ATOM 790 N GLY A 52 70.872 -15.741 54.259 1.00 0.00 N ATOM 791 CA GLY A 52 70.277 -16.878 55.021 1.00 0.00 C ATOM 792 C GLY A 52 68.839 -16.535 55.419 1.00 0.00 C ATOM 793 O GLY A 52 68.379 -15.422 55.241 1.00 0.00 O ATOM 0 H GLY A 52 70.967 -15.896 53.255 1.00 0.00 H new ATOM 0 HA2 GLY A 52 70.291 -17.783 54.413 1.00 0.00 H new ATOM 0 HA3 GLY A 52 70.872 -17.083 55.911 1.00 0.00 H new ATOM 797 N GLN A 53 68.121 -17.492 55.958 1.00 0.00 N ATOM 798 CA GLN A 53 66.705 -17.243 56.375 1.00 0.00 C ATOM 799 C GLN A 53 66.640 -17.054 57.894 1.00 0.00 C ATOM 800 O GLN A 53 67.231 -17.803 58.647 1.00 0.00 O ATOM 801 CB GLN A 53 65.844 -18.452 55.982 1.00 0.00 C ATOM 802 CG GLN A 53 65.712 -18.532 54.455 1.00 0.00 C ATOM 803 CD GLN A 53 64.941 -17.316 53.934 1.00 0.00 C ATOM 804 OE1 GLN A 53 65.111 -16.918 52.799 1.00 0.00 O ATOM 805 NE2 GLN A 53 64.106 -16.697 54.723 1.00 0.00 N ATOM 0 H GLN A 53 68.458 -18.440 56.128 1.00 0.00 H new ATOM 0 HA GLN A 53 66.334 -16.345 55.881 1.00 0.00 H new ATOM 0 HB2 GLN A 53 66.294 -19.368 56.364 1.00 0.00 H new ATOM 0 HB3 GLN A 53 64.857 -18.368 56.436 1.00 0.00 H new ATOM 0 HG2 GLN A 53 66.701 -18.570 53.997 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.195 -19.449 54.174 1.00 0.00 H new ATOM 0 HE21 GLN A 53 63.963 -17.030 55.676 1.00 0.00 H new ATOM 0 HE22 GLN A 53 63.597 -15.880 54.386 1.00 0.00 H new ATOM 814 N VAL A 54 65.920 -16.056 58.349 1.00 0.00 N ATOM 815 CA VAL A 54 65.798 -15.798 59.820 1.00 0.00 C ATOM 816 C VAL A 54 64.325 -15.564 60.165 1.00 0.00 C ATOM 817 O VAL A 54 63.633 -14.833 59.486 1.00 0.00 O ATOM 818 CB VAL A 54 66.612 -14.553 60.182 1.00 0.00 C ATOM 819 CG1 VAL A 54 66.006 -13.326 59.495 1.00 0.00 C ATOM 820 CG2 VAL A 54 66.602 -14.347 61.701 1.00 0.00 C ATOM 0 H VAL A 54 65.406 -15.402 57.758 1.00 0.00 H new ATOM 0 HA VAL A 54 66.174 -16.654 60.380 1.00 0.00 H new ATOM 0 HB VAL A 54 67.640 -14.688 59.845 1.00 0.00 H new ATOM 0 HG11 VAL A 54 66.586 -12.440 59.754 1.00 0.00 H new ATOM 0 HG12 VAL A 54 66.023 -13.468 58.414 1.00 0.00 H new ATOM 0 HG13 VAL A 54 64.976 -13.195 59.827 1.00 0.00 H new ATOM 0 HG21 VAL A 54 67.183 -13.459 61.952 1.00 0.00 H new ATOM 0 HG22 VAL A 54 65.575 -14.217 62.044 1.00 0.00 H new ATOM 0 HG23 VAL A 54 67.040 -15.217 62.189 1.00 0.00 H new ATOM 830 N ASP A 55 63.839 -16.178 61.211 1.00 0.00 N ATOM 831 CA ASP A 55 62.407 -15.988 61.588 1.00 0.00 C ATOM 832 C ASP A 55 62.238 -16.179 63.097 1.00 0.00 C ATOM 833 O ASP A 55 61.113 -16.086 63.561 1.00 0.00 O ATOM 834 CB ASP A 55 61.554 -17.017 60.846 1.00 0.00 C ATOM 835 CG ASP A 55 62.011 -18.425 61.230 1.00 0.00 C ATOM 836 OD1 ASP A 55 63.187 -18.590 61.514 1.00 0.00 O ATOM 837 OD2 ASP A 55 61.177 -19.315 61.238 1.00 0.00 O ATOM 838 OXT ASP A 55 63.233 -16.417 63.763 1.00 0.00 O ATOM 0 H ASP A 55 64.370 -16.801 61.819 1.00 0.00 H new ATOM 0 HA ASP A 55 62.090 -14.981 61.318 1.00 0.00 H new ATOM 0 HB2 ASP A 55 60.502 -16.883 61.097 1.00 0.00 H new ATOM 0 HB3 ASP A 55 61.646 -16.874 59.769 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.712 -14.365 21.974 1.00 0.00 N ATOM 845 CA PHE B 1 92.670 -14.081 23.001 1.00 0.00 C ATOM 846 C PHE B 1 92.053 -15.393 23.495 1.00 0.00 C ATOM 847 O PHE B 1 92.520 -15.996 24.443 1.00 0.00 O ATOM 848 CB PHE B 1 91.568 -13.211 22.387 1.00 0.00 C ATOM 849 CG PHE B 1 92.063 -11.793 22.224 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.938 -11.472 21.180 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.639 -10.795 23.110 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.388 -10.156 21.023 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.091 -9.479 22.954 1.00 0.00 C ATOM 854 CZ PHE B 1 92.964 -9.159 21.911 1.00 0.00 C ATOM 0 H1 PHE B 1 93.969 -13.483 21.487 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.554 -14.764 22.435 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.341 -15.047 21.282 1.00 0.00 H new ATOM 0 HA PHE B 1 93.131 -13.558 23.838 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.271 -13.615 21.419 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.684 -13.226 23.024 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.266 -12.240 20.495 1.00 0.00 H new ATOM 0 HD2 PHE B 1 90.962 -11.041 23.915 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.063 -9.909 20.217 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.765 -8.711 23.640 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.312 -8.144 21.790 1.00 0.00 H new ATOM 866 N LEU B 2 91.000 -15.831 22.862 1.00 0.00 N ATOM 867 CA LEU B 2 90.326 -17.089 23.294 1.00 0.00 C ATOM 868 C LEU B 2 91.292 -18.268 23.201 1.00 0.00 C ATOM 869 O LEU B 2 91.319 -19.127 24.062 1.00 0.00 O ATOM 870 CB LEU B 2 89.136 -17.346 22.369 1.00 0.00 C ATOM 871 CG LEU B 2 88.145 -16.178 22.455 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.127 -16.306 21.319 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.408 -16.201 23.806 1.00 0.00 C ATOM 0 H LEU B 2 90.574 -15.369 22.059 1.00 0.00 H new ATOM 0 HA LEU B 2 89.995 -16.985 24.327 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.482 -17.466 21.342 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.641 -18.276 22.649 1.00 0.00 H new ATOM 0 HG LEU B 2 88.689 -15.238 22.368 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.418 -15.480 21.371 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.646 -16.279 20.361 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.592 -17.251 21.415 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.708 -15.367 23.853 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.862 -17.139 23.907 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.131 -16.114 24.617 1.00 0.00 H new ATOM 885 N ASP B 3 92.089 -18.327 22.172 1.00 0.00 N ATOM 886 CA ASP B 3 93.041 -19.467 22.051 1.00 0.00 C ATOM 887 C ASP B 3 94.004 -19.451 23.234 1.00 0.00 C ATOM 888 O ASP B 3 94.202 -20.445 23.905 1.00 0.00 O ATOM 889 CB ASP B 3 93.834 -19.334 20.752 1.00 0.00 C ATOM 890 CG ASP B 3 94.237 -17.873 20.544 1.00 0.00 C ATOM 891 OD1 ASP B 3 95.112 -17.414 21.257 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.667 -17.238 19.668 1.00 0.00 O ATOM 0 H ASP B 3 92.124 -17.643 21.416 1.00 0.00 H new ATOM 0 HA ASP B 3 92.485 -20.405 22.044 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.722 -19.965 20.790 1.00 0.00 H new ATOM 0 HB3 ASP B 3 93.233 -19.679 19.911 1.00 0.00 H new ATOM 897 N GLY B 4 94.600 -18.327 23.494 1.00 0.00 N ATOM 898 CA GLY B 4 95.556 -18.236 24.632 1.00 0.00 C ATOM 899 C GLY B 4 94.839 -18.626 25.924 1.00 0.00 C ATOM 900 O GLY B 4 95.409 -19.257 26.795 1.00 0.00 O ATOM 0 H GLY B 4 94.468 -17.463 22.968 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.407 -18.895 24.461 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.949 -17.223 24.712 1.00 0.00 H new ATOM 904 N ILE B 5 93.595 -18.259 26.057 1.00 0.00 N ATOM 905 CA ILE B 5 92.847 -18.613 27.294 1.00 0.00 C ATOM 906 C ILE B 5 92.715 -20.136 27.405 1.00 0.00 C ATOM 907 O ILE B 5 92.831 -20.697 28.477 1.00 0.00 O ATOM 908 CB ILE B 5 91.451 -17.967 27.247 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.584 -16.459 27.504 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.541 -18.605 28.309 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.248 -15.756 27.241 1.00 0.00 C ATOM 0 H ILE B 5 93.065 -17.730 25.364 1.00 0.00 H new ATOM 0 HA ILE B 5 93.388 -18.242 28.165 1.00 0.00 H new ATOM 0 HB ILE B 5 91.007 -18.130 26.265 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.898 -16.285 28.533 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.357 -16.040 26.859 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.555 -18.142 28.269 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.448 -19.673 28.114 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.973 -18.453 29.298 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.356 -14.687 27.427 1.00 0.00 H new ATOM 0 HD12 ILE B 5 89.951 -15.916 26.205 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.485 -16.164 27.904 1.00 0.00 H new ATOM 923 N ASP B 6 92.472 -20.809 26.316 1.00 0.00 N ATOM 924 CA ASP B 6 92.324 -22.291 26.383 1.00 0.00 C ATOM 925 C ASP B 6 93.614 -22.922 26.912 1.00 0.00 C ATOM 926 O ASP B 6 93.589 -23.749 27.800 1.00 0.00 O ATOM 927 CB ASP B 6 92.027 -22.835 24.984 1.00 0.00 C ATOM 928 CG ASP B 6 90.577 -22.521 24.615 1.00 0.00 C ATOM 929 OD1 ASP B 6 89.706 -22.817 25.415 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.363 -21.992 23.537 1.00 0.00 O ATOM 0 H ASP B 6 92.370 -20.401 25.387 1.00 0.00 H new ATOM 0 HA ASP B 6 91.503 -22.539 27.056 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.704 -22.388 24.256 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.196 -23.911 24.957 1.00 0.00 H new ATOM 935 N LYS B 7 94.741 -22.538 26.389 1.00 0.00 N ATOM 936 CA LYS B 7 96.016 -23.125 26.881 1.00 0.00 C ATOM 937 C LYS B 7 96.283 -22.616 28.298 1.00 0.00 C ATOM 938 O LYS B 7 96.724 -23.347 29.161 1.00 0.00 O ATOM 939 CB LYS B 7 97.160 -22.706 25.958 1.00 0.00 C ATOM 940 CG LYS B 7 96.999 -23.408 24.608 1.00 0.00 C ATOM 941 CD LYS B 7 98.165 -23.042 23.679 1.00 0.00 C ATOM 942 CE LYS B 7 98.134 -21.543 23.341 1.00 0.00 C ATOM 943 NZ LYS B 7 98.844 -20.779 24.406 1.00 0.00 N ATOM 0 H LYS B 7 94.836 -21.846 25.645 1.00 0.00 H new ATOM 0 HA LYS B 7 95.945 -24.213 26.890 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.156 -21.625 25.822 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.119 -22.968 26.406 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.965 -24.488 24.753 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.054 -23.118 24.149 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.112 -23.293 24.157 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.105 -23.629 22.762 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.608 -21.367 22.375 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.103 -21.199 23.258 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.168 -20.162 24.900 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.268 -21.443 25.085 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 99.592 -20.198 23.976 1.00 0.00 H new ATOM 957 N ALA B 8 96.011 -21.365 28.539 1.00 0.00 N ATOM 958 CA ALA B 8 96.237 -20.788 29.894 1.00 0.00 C ATOM 959 C ALA B 8 95.231 -21.376 30.891 1.00 0.00 C ATOM 960 O ALA B 8 95.533 -21.557 32.054 1.00 0.00 O ATOM 961 CB ALA B 8 96.073 -19.269 29.832 1.00 0.00 C ATOM 0 H ALA B 8 95.639 -20.711 27.850 1.00 0.00 H new ATOM 0 HA ALA B 8 97.246 -21.034 30.225 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.238 -18.845 30.822 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.799 -18.853 29.133 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.065 -19.025 29.496 1.00 0.00 H new ATOM 967 N GLN B 9 94.033 -21.663 30.451 1.00 0.00 N ATOM 968 CA GLN B 9 93.012 -22.225 31.385 1.00 0.00 C ATOM 969 C GLN B 9 93.499 -23.581 31.905 1.00 0.00 C ATOM 970 O GLN B 9 93.944 -24.423 31.150 1.00 0.00 O ATOM 971 CB GLN B 9 91.682 -22.396 30.636 1.00 0.00 C ATOM 972 CG GLN B 9 90.622 -22.972 31.581 1.00 0.00 C ATOM 973 CD GLN B 9 89.294 -23.120 30.839 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.142 -22.634 29.735 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.321 -23.785 31.399 1.00 0.00 N ATOM 0 H GLN B 9 93.718 -21.533 29.489 1.00 0.00 H new ATOM 0 HA GLN B 9 92.864 -21.549 32.228 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.349 -21.435 30.244 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.818 -23.059 29.781 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.947 -23.941 31.960 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.496 -22.318 32.444 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.449 -24.193 32.325 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.433 -23.897 30.911 1.00 0.00 H new ATOM 984 N GLU B 10 93.431 -23.796 33.197 1.00 0.00 N ATOM 985 CA GLU B 10 93.904 -25.094 33.778 1.00 0.00 C ATOM 986 C GLU B 10 93.066 -25.457 35.011 1.00 0.00 C ATOM 987 O GLU B 10 92.008 -24.906 35.241 1.00 0.00 O ATOM 988 CB GLU B 10 95.374 -24.972 34.185 1.00 0.00 C ATOM 989 CG GLU B 10 96.256 -24.901 32.937 1.00 0.00 C ATOM 990 CD GLU B 10 97.727 -24.818 33.351 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.982 -24.693 34.537 1.00 0.00 O ATOM 992 OE2 GLU B 10 98.572 -24.882 32.473 1.00 0.00 O ATOM 0 H GLU B 10 93.068 -23.127 33.876 1.00 0.00 H new ATOM 0 HA GLU B 10 93.795 -25.876 33.026 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.519 -24.080 34.794 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.663 -25.826 34.797 1.00 0.00 H new ATOM 0 HG2 GLU B 10 96.092 -25.780 32.313 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.987 -24.031 32.338 1.00 0.00 H new ATOM 999 N GLU B 11 93.538 -26.389 35.799 1.00 0.00 N ATOM 1000 CA GLU B 11 92.782 -26.803 37.018 1.00 0.00 C ATOM 1001 C GLU B 11 92.906 -25.709 38.086 1.00 0.00 C ATOM 1002 O GLU B 11 93.844 -24.935 38.088 1.00 0.00 O ATOM 1003 CB GLU B 11 93.364 -28.115 37.558 1.00 0.00 C ATOM 1004 CG GLU B 11 93.047 -29.257 36.586 1.00 0.00 C ATOM 1005 CD GLU B 11 93.791 -30.522 37.016 1.00 0.00 C ATOM 1006 OE1 GLU B 11 94.996 -30.574 36.820 1.00 0.00 O ATOM 1007 OE2 GLU B 11 93.146 -31.421 37.527 1.00 0.00 O ATOM 0 H GLU B 11 94.418 -26.883 35.649 1.00 0.00 H new ATOM 0 HA GLU B 11 91.732 -26.950 36.766 1.00 0.00 H new ATOM 0 HB2 GLU B 11 94.442 -28.021 37.685 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.945 -28.333 38.540 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.973 -29.444 36.567 1.00 0.00 H new ATOM 0 HG3 GLU B 11 93.340 -28.978 35.574 1.00 0.00 H new ATOM 1014 N HIS B 12 91.964 -25.637 38.989 1.00 0.00 N ATOM 1015 CA HIS B 12 92.022 -24.593 40.055 1.00 0.00 C ATOM 1016 C HIS B 12 93.095 -24.973 41.078 1.00 0.00 C ATOM 1017 O HIS B 12 92.802 -25.301 42.211 1.00 0.00 O ATOM 1018 CB HIS B 12 90.654 -24.516 40.738 1.00 0.00 C ATOM 1019 CG HIS B 12 90.675 -23.501 41.851 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.472 -22.144 41.631 1.00 0.00 N ATOM 1021 CD2 HIS B 12 90.834 -23.642 43.208 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.507 -21.529 42.834 1.00 0.00 C ATOM 1023 NE2 HIS B 12 90.726 -22.398 43.820 1.00 0.00 N ATOM 0 H HIS B 12 91.155 -26.257 39.035 1.00 0.00 H new ATOM 0 HA HIS B 12 92.272 -23.624 39.622 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.891 -24.247 40.007 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.384 -25.494 41.135 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.015 -24.575 43.721 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.374 -20.467 42.978 1.00 0.00 H new ATOM 0 HE2 HIS B 12 90.799 -22.193 44.817 1.00 0.00 H new ATOM 1031 N GLU B 13 94.343 -24.934 40.678 1.00 0.00 N ATOM 1032 CA GLU B 13 95.462 -25.294 41.606 1.00 0.00 C ATOM 1033 C GLU B 13 96.130 -24.013 42.127 1.00 0.00 C ATOM 1034 O GLU B 13 95.498 -22.982 42.264 1.00 0.00 O ATOM 1035 CB GLU B 13 96.489 -26.152 40.842 1.00 0.00 C ATOM 1036 CG GLU B 13 97.185 -27.134 41.794 1.00 0.00 C ATOM 1037 CD GLU B 13 98.233 -27.937 41.017 1.00 0.00 C ATOM 1038 OE1 GLU B 13 98.280 -27.795 39.807 1.00 0.00 O ATOM 1039 OE2 GLU B 13 98.968 -28.680 41.649 1.00 0.00 O ATOM 0 H GLU B 13 94.637 -24.666 39.739 1.00 0.00 H new ATOM 0 HA GLU B 13 95.075 -25.859 42.454 1.00 0.00 H new ATOM 0 HB2 GLU B 13 95.990 -26.702 40.044 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.230 -25.507 40.370 1.00 0.00 H new ATOM 0 HG2 GLU B 13 97.659 -26.591 42.612 1.00 0.00 H new ATOM 0 HG3 GLU B 13 96.452 -27.807 42.240 1.00 0.00 H new ATOM 1046 N LYS B 14 97.401 -24.075 42.417 1.00 0.00 N ATOM 1047 CA LYS B 14 98.123 -22.874 42.926 1.00 0.00 C ATOM 1048 C LYS B 14 98.266 -21.842 41.805 1.00 0.00 C ATOM 1049 O LYS B 14 98.296 -20.651 42.044 1.00 0.00 O ATOM 1050 CB LYS B 14 99.517 -23.277 43.409 1.00 0.00 C ATOM 1051 CG LYS B 14 99.418 -24.310 44.540 1.00 0.00 C ATOM 1052 CD LYS B 14 98.797 -23.674 45.794 1.00 0.00 C ATOM 1053 CE LYS B 14 99.164 -24.503 47.029 1.00 0.00 C ATOM 1054 NZ LYS B 14 98.526 -23.905 48.236 1.00 0.00 N ATOM 0 H LYS B 14 97.975 -24.913 42.322 1.00 0.00 H new ATOM 0 HA LYS B 14 97.556 -22.444 43.752 1.00 0.00 H new ATOM 0 HB2 LYS B 14 100.090 -23.692 42.579 1.00 0.00 H new ATOM 0 HB3 LYS B 14 100.055 -22.396 43.759 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.812 -25.156 44.216 1.00 0.00 H new ATOM 0 HG3 LYS B 14 100.409 -24.698 44.774 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.156 -22.651 45.911 1.00 0.00 H new ATOM 0 HD3 LYS B 14 97.713 -23.621 45.688 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.831 -25.533 46.901 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.247 -24.531 47.153 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.775 -24.467 49.075 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 98.864 -22.930 48.360 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 97.493 -23.900 48.116 1.00 0.00 H new ATOM 1068 N TYR B 15 98.388 -22.285 40.584 1.00 0.00 N ATOM 1069 CA TYR B 15 98.562 -21.322 39.456 1.00 0.00 C ATOM 1070 C TYR B 15 97.358 -20.382 39.394 1.00 0.00 C ATOM 1071 O TYR B 15 97.502 -19.196 39.166 1.00 0.00 O ATOM 1072 CB TYR B 15 98.678 -22.096 38.138 1.00 0.00 C ATOM 1073 CG TYR B 15 100.082 -22.635 37.989 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.141 -21.760 37.725 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.324 -24.008 38.119 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.441 -22.256 37.589 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.626 -24.504 37.987 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.685 -23.628 37.721 1.00 0.00 C ATOM 1079 OH TYR B 15 103.969 -24.116 37.590 1.00 0.00 O ATOM 0 H TYR B 15 98.375 -23.269 40.317 1.00 0.00 H new ATOM 0 HA TYR B 15 99.468 -20.737 39.615 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.959 -22.915 38.121 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.437 -21.443 37.299 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.954 -20.701 37.626 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.506 -24.684 38.321 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.258 -21.580 37.382 1.00 0.00 H new ATOM 0 HE2 TYR B 15 101.814 -25.563 38.090 1.00 0.00 H new ATOM 0 HH TYR B 15 103.963 -25.088 37.711 1.00 0.00 H new ATOM 1089 N HIS B 16 96.174 -20.884 39.602 1.00 0.00 N ATOM 1090 CA HIS B 16 94.993 -19.984 39.561 1.00 0.00 C ATOM 1091 C HIS B 16 95.162 -18.911 40.635 1.00 0.00 C ATOM 1092 O HIS B 16 94.867 -17.752 40.419 1.00 0.00 O ATOM 1093 CB HIS B 16 93.713 -20.793 39.824 1.00 0.00 C ATOM 1094 CG HIS B 16 93.215 -21.410 38.542 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.869 -21.667 38.320 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.869 -21.812 37.403 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.757 -22.201 37.088 1.00 0.00 C ATOM 1098 NE2 HIS B 16 92.944 -22.309 36.490 1.00 0.00 N ATOM 0 H HIS B 16 95.975 -21.865 39.796 1.00 0.00 H new ATOM 0 HA HIS B 16 94.914 -19.516 38.580 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.912 -21.573 40.559 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.945 -20.145 40.247 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.935 -21.752 37.241 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.822 -22.504 36.640 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.134 -22.679 35.558 1.00 0.00 H new ATOM 1106 N SER B 17 95.651 -19.279 41.787 1.00 0.00 N ATOM 1107 CA SER B 17 95.845 -18.264 42.857 1.00 0.00 C ATOM 1108 C SER B 17 96.891 -17.244 42.395 1.00 0.00 C ATOM 1109 O SER B 17 96.704 -16.049 42.520 1.00 0.00 O ATOM 1110 CB SER B 17 96.318 -18.952 44.139 1.00 0.00 C ATOM 1111 OG SER B 17 97.635 -19.448 43.950 1.00 0.00 O ATOM 0 H SER B 17 95.922 -20.231 42.032 1.00 0.00 H new ATOM 0 HA SER B 17 94.903 -17.754 43.057 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.299 -18.248 44.971 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.644 -19.769 44.397 1.00 0.00 H new ATOM 0 HG SER B 17 97.668 -19.985 43.131 1.00 0.00 H new ATOM 1117 N ASN B 18 97.987 -17.705 41.841 1.00 0.00 N ATOM 1118 CA ASN B 18 99.038 -16.760 41.354 1.00 0.00 C ATOM 1119 C ASN B 18 98.773 -16.443 39.882 1.00 0.00 C ATOM 1120 O ASN B 18 99.373 -17.016 38.993 1.00 0.00 O ATOM 1121 CB ASN B 18 100.415 -17.410 41.494 1.00 0.00 C ATOM 1122 CG ASN B 18 100.761 -17.548 42.977 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.286 -16.787 43.797 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.575 -18.495 43.358 1.00 0.00 N ATOM 0 H ASN B 18 98.198 -18.694 41.706 1.00 0.00 H new ATOM 0 HA ASN B 18 99.012 -15.843 41.943 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.418 -18.389 41.016 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.168 -16.806 40.988 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.813 -18.597 44.345 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.973 -19.133 42.669 1.00 0.00 H new ATOM 1131 N TRP B 19 97.872 -15.538 39.618 1.00 0.00 N ATOM 1132 CA TRP B 19 97.550 -15.185 38.208 1.00 0.00 C ATOM 1133 C TRP B 19 98.718 -14.424 37.570 1.00 0.00 C ATOM 1134 O TRP B 19 98.889 -14.440 36.366 1.00 0.00 O ATOM 1135 CB TRP B 19 96.274 -14.338 38.173 1.00 0.00 C ATOM 1136 CG TRP B 19 96.509 -13.012 38.824 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.181 -12.706 40.098 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.107 -11.810 38.255 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.536 -11.391 40.347 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.108 -10.798 39.243 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.641 -11.500 36.988 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.621 -9.525 38.987 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.158 -10.221 36.729 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.146 -9.235 37.725 1.00 0.00 C ATOM 0 H TRP B 19 97.342 -15.025 40.323 1.00 0.00 H new ATOM 0 HA TRP B 19 97.387 -16.099 37.636 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.955 -14.192 37.141 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.467 -14.863 38.684 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.718 -13.377 40.806 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.392 -10.919 41.239 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.652 -12.251 36.212 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.612 -8.770 39.759 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.568 -9.995 35.756 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.542 -8.252 37.517 1.00 0.00 H new ATOM 1155 N ARG B 20 99.520 -13.757 38.358 1.00 0.00 N ATOM 1156 CA ARG B 20 100.667 -12.996 37.776 1.00 0.00 C ATOM 1157 C ARG B 20 101.613 -13.961 37.054 1.00 0.00 C ATOM 1158 O ARG B 20 102.131 -13.660 35.997 1.00 0.00 O ATOM 1159 CB ARG B 20 101.444 -12.291 38.893 1.00 0.00 C ATOM 1160 CG ARG B 20 100.611 -11.147 39.476 1.00 0.00 C ATOM 1161 CD ARG B 20 101.412 -10.463 40.587 1.00 0.00 C ATOM 1162 NE ARG B 20 100.568 -9.420 41.260 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.065 -8.413 40.599 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.417 -8.192 39.363 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.241 -7.595 41.194 1.00 0.00 N ATOM 0 H ARG B 20 99.432 -13.706 39.373 1.00 0.00 H new ATOM 0 HA ARG B 20 100.279 -12.259 37.073 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.695 -13.005 39.678 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.385 -11.903 38.503 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.360 -10.428 38.696 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.670 -11.530 39.871 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.742 -11.202 41.317 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.309 -10.004 40.171 1.00 0.00 H new ATOM 0 HE ARG B 20 100.383 -9.500 42.260 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.090 -8.808 38.906 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.020 -7.403 38.853 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.992 -7.744 42.172 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.846 -6.807 40.681 1.00 0.00 H new ATOM 1179 N ALA B 21 101.844 -15.113 37.616 1.00 0.00 N ATOM 1180 CA ALA B 21 102.758 -16.099 36.967 1.00 0.00 C ATOM 1181 C ALA B 21 102.207 -16.469 35.589 1.00 0.00 C ATOM 1182 O ALA B 21 102.942 -16.612 34.632 1.00 0.00 O ATOM 1183 CB ALA B 21 102.852 -17.355 37.839 1.00 0.00 C ATOM 0 H ALA B 21 101.438 -15.418 38.501 1.00 0.00 H new ATOM 0 HA ALA B 21 103.750 -15.662 36.855 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.519 -18.077 37.367 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.243 -17.088 38.821 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.861 -17.796 37.950 1.00 0.00 H new ATOM 1189 N MET B 22 100.918 -16.627 35.487 1.00 0.00 N ATOM 1190 CA MET B 22 100.308 -16.991 34.177 1.00 0.00 C ATOM 1191 C MET B 22 100.606 -15.896 33.152 1.00 0.00 C ATOM 1192 O MET B 22 100.956 -16.167 32.022 1.00 0.00 O ATOM 1193 CB MET B 22 98.793 -17.111 34.354 1.00 0.00 C ATOM 1194 CG MET B 22 98.161 -17.706 33.093 1.00 0.00 C ATOM 1195 SD MET B 22 96.393 -17.323 33.073 1.00 0.00 S ATOM 1196 CE MET B 22 95.961 -18.154 34.621 1.00 0.00 C ATOM 0 H MET B 22 100.257 -16.520 36.257 1.00 0.00 H new ATOM 0 HA MET B 22 100.722 -17.937 33.829 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.568 -17.741 35.215 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.364 -16.130 34.557 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.643 -17.299 32.204 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.311 -18.785 33.071 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.893 -18.372 34.631 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.522 -19.085 34.703 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.208 -17.507 35.463 1.00 0.00 H new ATOM 1206 N ALA B 23 100.462 -14.662 33.540 1.00 0.00 N ATOM 1207 CA ALA B 23 100.726 -13.547 32.592 1.00 0.00 C ATOM 1208 C ALA B 23 102.197 -13.576 32.159 1.00 0.00 C ATOM 1209 O ALA B 23 102.520 -13.420 31.000 1.00 0.00 O ATOM 1210 CB ALA B 23 100.431 -12.216 33.290 1.00 0.00 C ATOM 0 H ALA B 23 100.172 -14.377 34.475 1.00 0.00 H new ATOM 0 HA ALA B 23 100.089 -13.656 31.714 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.622 -11.393 32.601 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.387 -12.192 33.602 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.074 -12.114 34.165 1.00 0.00 H new ATOM 1216 N SER B 24 103.087 -13.761 33.093 1.00 0.00 N ATOM 1217 CA SER B 24 104.541 -13.785 32.761 1.00 0.00 C ATOM 1218 C SER B 24 104.882 -15.015 31.920 1.00 0.00 C ATOM 1219 O SER B 24 105.676 -14.947 31.001 1.00 0.00 O ATOM 1220 CB SER B 24 105.351 -13.829 34.056 1.00 0.00 C ATOM 1221 OG SER B 24 105.216 -12.591 34.737 1.00 0.00 O ATOM 0 H SER B 24 102.869 -13.898 34.080 1.00 0.00 H new ATOM 0 HA SER B 24 104.784 -12.888 32.191 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.002 -14.645 34.689 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.401 -14.023 33.835 1.00 0.00 H new ATOM 0 HG SER B 24 105.733 -12.617 35.569 1.00 0.00 H new ATOM 1227 N ASP B 25 104.307 -16.141 32.232 1.00 0.00 N ATOM 1228 CA ASP B 25 104.620 -17.371 31.453 1.00 0.00 C ATOM 1229 C ASP B 25 104.179 -17.191 29.998 1.00 0.00 C ATOM 1230 O ASP B 25 104.858 -17.601 29.079 1.00 0.00 O ATOM 1231 CB ASP B 25 103.890 -18.563 32.075 1.00 0.00 C ATOM 1232 CG ASP B 25 104.347 -19.858 31.399 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.322 -20.431 31.860 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.717 -20.254 30.434 1.00 0.00 O ATOM 0 H ASP B 25 103.636 -16.264 32.990 1.00 0.00 H new ATOM 0 HA ASP B 25 105.695 -17.552 31.476 1.00 0.00 H new ATOM 0 HB2 ASP B 25 104.094 -18.608 33.145 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.813 -18.442 31.960 1.00 0.00 H new ATOM 1239 N PHE B 26 103.039 -16.580 29.782 1.00 0.00 N ATOM 1240 CA PHE B 26 102.539 -16.371 28.385 1.00 0.00 C ATOM 1241 C PHE B 26 102.828 -14.936 27.928 1.00 0.00 C ATOM 1242 O PHE B 26 102.447 -14.534 26.848 1.00 0.00 O ATOM 1243 CB PHE B 26 101.029 -16.622 28.342 1.00 0.00 C ATOM 1244 CG PHE B 26 100.759 -18.102 28.466 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.800 -18.917 27.329 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.462 -18.660 29.716 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.548 -20.289 27.440 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.211 -20.032 29.828 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.253 -20.848 28.690 1.00 0.00 C ATOM 0 H PHE B 26 102.431 -16.216 30.515 1.00 0.00 H new ATOM 0 HA PHE B 26 103.049 -17.066 27.718 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.537 -16.083 29.152 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.613 -16.243 27.408 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.026 -18.487 26.365 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.427 -18.031 30.593 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.581 -20.917 26.562 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.985 -20.462 30.792 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.058 -21.907 28.776 1.00 0.00 H new ATOM 1259 N ASN B 27 103.504 -14.166 28.736 1.00 0.00 N ATOM 1260 CA ASN B 27 103.830 -12.759 28.343 1.00 0.00 C ATOM 1261 C ASN B 27 102.557 -12.010 27.928 1.00 0.00 C ATOM 1262 O ASN B 27 102.541 -11.315 26.931 1.00 0.00 O ATOM 1263 CB ASN B 27 104.816 -12.767 27.171 1.00 0.00 C ATOM 1264 CG ASN B 27 106.183 -13.258 27.649 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.475 -13.227 28.829 1.00 0.00 O ATOM 1266 ND2 ASN B 27 107.041 -13.709 26.776 1.00 0.00 N ATOM 0 H ASN B 27 103.847 -14.448 29.654 1.00 0.00 H new ATOM 0 HA ASN B 27 104.277 -12.253 29.199 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.445 -13.413 26.376 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.905 -11.765 26.752 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.957 -14.036 27.083 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.796 -13.735 25.786 1.00 0.00 H new ATOM 1273 N LEU B 28 101.495 -12.133 28.691 1.00 0.00 N ATOM 1274 CA LEU B 28 100.219 -11.413 28.354 1.00 0.00 C ATOM 1275 C LEU B 28 99.910 -10.434 29.488 1.00 0.00 C ATOM 1276 O LEU B 28 100.268 -10.678 30.619 1.00 0.00 O ATOM 1277 CB LEU B 28 99.070 -12.423 28.252 1.00 0.00 C ATOM 1278 CG LEU B 28 99.254 -13.313 27.012 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.417 -14.587 27.167 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.807 -12.565 25.743 1.00 0.00 C ATOM 0 H LEU B 28 101.455 -12.703 29.536 1.00 0.00 H new ATOM 0 HA LEU B 28 100.327 -10.888 27.405 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.038 -13.040 29.150 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.117 -11.896 28.193 1.00 0.00 H new ATOM 0 HG LEU B 28 100.309 -13.570 26.920 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.548 -15.218 26.288 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.742 -15.130 28.054 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.365 -14.321 27.269 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.944 -13.209 24.874 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.755 -12.294 25.832 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.405 -11.662 25.623 1.00 0.00 H new ATOM 1292 N PRO B 29 99.248 -9.338 29.211 1.00 0.00 N ATOM 1293 CA PRO B 29 98.912 -8.348 30.269 1.00 0.00 C ATOM 1294 C PRO B 29 97.819 -8.890 31.210 1.00 0.00 C ATOM 1295 O PRO B 29 96.993 -9.679 30.801 1.00 0.00 O ATOM 1296 CB PRO B 29 98.422 -7.121 29.486 1.00 0.00 C ATOM 1297 CG PRO B 29 97.899 -7.675 28.200 1.00 0.00 C ATOM 1298 CD PRO B 29 98.750 -8.914 27.887 1.00 0.00 C ATOM 0 HA PRO B 29 99.760 -8.117 30.914 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.644 -6.587 30.032 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.232 -6.413 29.312 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.845 -7.940 28.291 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.975 -6.939 27.400 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.159 -9.697 27.412 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.569 -8.677 27.208 1.00 0.00 H new ATOM 1306 N PRO B 30 97.811 -8.479 32.455 1.00 0.00 N ATOM 1307 CA PRO B 30 96.798 -8.950 33.439 1.00 0.00 C ATOM 1308 C PRO B 30 95.386 -9.033 32.832 1.00 0.00 C ATOM 1309 O PRO B 30 94.507 -9.670 33.372 1.00 0.00 O ATOM 1310 CB PRO B 30 96.841 -7.881 34.546 1.00 0.00 C ATOM 1311 CG PRO B 30 98.219 -7.281 34.483 1.00 0.00 C ATOM 1312 CD PRO B 30 98.761 -7.526 33.062 1.00 0.00 C ATOM 0 HA PRO B 30 97.018 -9.957 33.793 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.076 -7.121 34.386 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.651 -8.323 35.524 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.184 -6.214 34.702 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.871 -7.738 35.227 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.809 -6.598 32.492 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.770 -7.937 33.089 1.00 0.00 H new ATOM 1320 N VAL B 31 95.152 -8.372 31.733 1.00 0.00 N ATOM 1321 CA VAL B 31 93.783 -8.395 31.141 1.00 0.00 C ATOM 1322 C VAL B 31 93.363 -9.821 30.791 1.00 0.00 C ATOM 1323 O VAL B 31 92.292 -10.262 31.157 1.00 0.00 O ATOM 1324 CB VAL B 31 93.777 -7.540 29.865 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.447 -7.710 29.121 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.972 -6.071 30.238 1.00 0.00 C ATOM 0 H VAL B 31 95.842 -7.821 31.222 1.00 0.00 H new ATOM 0 HA VAL B 31 93.079 -7.996 31.872 1.00 0.00 H new ATOM 0 HB VAL B 31 94.589 -7.864 29.214 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.454 -7.099 28.218 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.313 -8.757 28.850 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.627 -7.395 29.766 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.968 -5.462 29.334 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.162 -5.752 30.894 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.925 -5.950 30.753 1.00 0.00 H new ATOM 1336 N VAL B 32 94.176 -10.544 30.084 1.00 0.00 N ATOM 1337 CA VAL B 32 93.778 -11.929 29.721 1.00 0.00 C ATOM 1338 C VAL B 32 93.765 -12.798 30.979 1.00 0.00 C ATOM 1339 O VAL B 32 92.868 -13.585 31.194 1.00 0.00 O ATOM 1340 CB VAL B 32 94.758 -12.492 28.691 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.464 -13.975 28.461 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.593 -11.730 27.375 1.00 0.00 C ATOM 0 H VAL B 32 95.089 -10.243 29.744 1.00 0.00 H new ATOM 0 HA VAL B 32 92.779 -11.924 29.284 1.00 0.00 H new ATOM 0 HB VAL B 32 95.779 -12.380 29.057 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.163 -14.375 27.727 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.574 -14.518 29.400 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.445 -14.091 28.092 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.289 -12.126 26.635 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.572 -11.848 27.012 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.800 -10.672 27.538 1.00 0.00 H new ATOM 1352 N ALA B 33 94.755 -12.659 31.819 1.00 0.00 N ATOM 1353 CA ALA B 33 94.795 -13.479 33.064 1.00 0.00 C ATOM 1354 C ALA B 33 93.584 -13.140 33.944 1.00 0.00 C ATOM 1355 O ALA B 33 92.952 -14.016 34.507 1.00 0.00 O ATOM 1356 CB ALA B 33 96.091 -13.190 33.829 1.00 0.00 C ATOM 0 H ALA B 33 95.536 -12.015 31.697 1.00 0.00 H new ATOM 0 HA ALA B 33 94.762 -14.537 32.802 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.118 -13.790 34.738 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.947 -13.441 33.203 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.131 -12.133 34.091 1.00 0.00 H new ATOM 1362 N LYS B 34 93.250 -11.879 34.065 1.00 0.00 N ATOM 1363 CA LYS B 34 92.077 -11.487 34.908 1.00 0.00 C ATOM 1364 C LYS B 34 90.794 -12.123 34.366 1.00 0.00 C ATOM 1365 O LYS B 34 89.944 -12.560 35.117 1.00 0.00 O ATOM 1366 CB LYS B 34 91.946 -9.960 34.927 1.00 0.00 C ATOM 1367 CG LYS B 34 93.073 -9.336 35.774 1.00 0.00 C ATOM 1368 CD LYS B 34 92.718 -9.396 37.269 1.00 0.00 C ATOM 1369 CE LYS B 34 93.735 -8.585 38.076 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.271 -8.484 39.489 1.00 0.00 N ATOM 0 H LYS B 34 93.738 -11.104 33.617 1.00 0.00 H new ATOM 0 HA LYS B 34 92.234 -11.846 35.925 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.989 -9.572 33.909 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.976 -9.677 35.335 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.008 -9.867 35.594 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.232 -8.300 35.473 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.715 -9.002 37.430 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.712 -10.431 37.610 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.714 -9.063 38.035 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.848 -7.590 37.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.959 -7.934 40.042 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.346 -8.010 39.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.184 -9.438 39.895 1.00 0.00 H new ATOM 1384 N GLU B 35 90.635 -12.176 33.071 1.00 0.00 N ATOM 1385 CA GLU B 35 89.392 -12.768 32.503 1.00 0.00 C ATOM 1386 C GLU B 35 89.271 -14.226 32.948 1.00 0.00 C ATOM 1387 O GLU B 35 88.196 -14.691 33.277 1.00 0.00 O ATOM 1388 CB GLU B 35 89.451 -12.694 30.970 1.00 0.00 C ATOM 1389 CG GLU B 35 88.207 -13.357 30.355 1.00 0.00 C ATOM 1390 CD GLU B 35 88.386 -14.880 30.306 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.508 -15.323 30.107 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.399 -15.577 30.462 1.00 0.00 O ATOM 0 H GLU B 35 91.309 -11.836 32.385 1.00 0.00 H new ATOM 0 HA GLU B 35 88.524 -12.213 32.859 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.512 -11.653 30.652 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.352 -13.191 30.610 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.324 -13.106 30.943 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.040 -12.971 29.349 1.00 0.00 H new ATOM 1399 N ILE B 36 90.349 -14.953 32.975 1.00 0.00 N ATOM 1400 CA ILE B 36 90.266 -16.371 33.418 1.00 0.00 C ATOM 1401 C ILE B 36 89.834 -16.391 34.886 1.00 0.00 C ATOM 1402 O ILE B 36 89.033 -17.207 35.301 1.00 0.00 O ATOM 1403 CB ILE B 36 91.632 -17.037 33.251 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.063 -16.899 31.780 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.539 -18.524 33.628 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.257 -17.815 31.476 1.00 0.00 C ATOM 0 H ILE B 36 91.280 -14.630 32.711 1.00 0.00 H new ATOM 0 HA ILE B 36 89.541 -16.920 32.817 1.00 0.00 H new ATOM 0 HB ILE B 36 92.362 -16.558 33.903 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.228 -17.152 31.126 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.330 -15.863 31.570 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.516 -18.992 33.507 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.219 -18.617 34.666 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.816 -19.019 32.979 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.546 -17.702 30.431 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.097 -17.543 32.116 1.00 0.00 H new ATOM 0 HD13 ILE B 36 92.978 -18.852 31.665 1.00 0.00 H new ATOM 1418 N VAL B 37 90.360 -15.493 35.672 1.00 0.00 N ATOM 1419 CA VAL B 37 89.981 -15.443 37.110 1.00 0.00 C ATOM 1420 C VAL B 37 88.486 -15.128 37.219 1.00 0.00 C ATOM 1421 O VAL B 37 87.782 -15.683 38.038 1.00 0.00 O ATOM 1422 CB VAL B 37 90.800 -14.353 37.807 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.258 -14.114 39.222 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.265 -14.796 37.885 1.00 0.00 C ATOM 0 H VAL B 37 91.038 -14.790 35.378 1.00 0.00 H new ATOM 0 HA VAL B 37 90.183 -16.402 37.587 1.00 0.00 H new ATOM 0 HB VAL B 37 90.726 -13.426 37.239 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.846 -13.337 39.711 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.216 -13.798 39.164 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.326 -15.037 39.798 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.853 -14.023 38.381 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.335 -15.724 38.452 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.651 -14.956 36.878 1.00 0.00 H new ATOM 1434 N ALA B 38 87.999 -14.245 36.391 1.00 0.00 N ATOM 1435 CA ALA B 38 86.550 -13.890 36.436 1.00 0.00 C ATOM 1436 C ALA B 38 85.713 -15.084 35.967 1.00 0.00 C ATOM 1437 O ALA B 38 84.610 -15.298 36.427 1.00 0.00 O ATOM 1438 CB ALA B 38 86.282 -12.691 35.521 1.00 0.00 C ATOM 0 H ALA B 38 88.543 -13.752 35.683 1.00 0.00 H new ATOM 0 HA ALA B 38 86.277 -13.633 37.459 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.223 -12.435 35.557 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.873 -11.838 35.856 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.559 -12.945 34.498 1.00 0.00 H new ATOM 1444 N SER B 39 86.226 -15.859 35.050 1.00 0.00 N ATOM 1445 CA SER B 39 85.455 -17.033 34.552 1.00 0.00 C ATOM 1446 C SER B 39 85.433 -18.122 35.622 1.00 0.00 C ATOM 1447 O SER B 39 84.438 -18.792 35.821 1.00 0.00 O ATOM 1448 CB SER B 39 86.119 -17.585 33.290 1.00 0.00 C ATOM 1449 OG SER B 39 86.104 -16.593 32.275 1.00 0.00 O ATOM 0 H SER B 39 87.144 -15.730 34.625 1.00 0.00 H new ATOM 0 HA SER B 39 84.436 -16.721 34.324 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.145 -17.883 33.507 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.593 -18.477 32.950 1.00 0.00 H new ATOM 0 HG SER B 39 86.891 -16.701 31.700 1.00 0.00 H new ATOM 1455 N CYS B 40 86.520 -18.309 36.309 1.00 0.00 N ATOM 1456 CA CYS B 40 86.557 -19.361 37.361 1.00 0.00 C ATOM 1457 C CYS B 40 85.750 -18.893 38.576 1.00 0.00 C ATOM 1458 O CYS B 40 86.115 -17.956 39.259 1.00 0.00 O ATOM 1459 CB CYS B 40 88.010 -19.619 37.766 1.00 0.00 C ATOM 1460 SG CYS B 40 88.111 -21.159 38.710 1.00 0.00 S ATOM 0 H CYS B 40 87.384 -17.781 36.190 1.00 0.00 H new ATOM 0 HA CYS B 40 86.122 -20.284 36.977 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.640 -19.682 36.879 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.385 -18.788 38.364 1.00 0.00 H new ATOM 1465 N ASP B 41 84.652 -19.546 38.846 1.00 0.00 N ATOM 1466 CA ASP B 41 83.798 -19.155 40.006 1.00 0.00 C ATOM 1467 C ASP B 41 84.596 -19.275 41.306 1.00 0.00 C ATOM 1468 O ASP B 41 84.479 -18.453 42.196 1.00 0.00 O ATOM 1469 CB ASP B 41 82.581 -20.082 40.081 1.00 0.00 C ATOM 1470 CG ASP B 41 81.623 -19.778 38.928 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.079 -18.688 38.908 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.447 -20.646 38.088 1.00 0.00 O ATOM 0 H ASP B 41 84.307 -20.341 38.308 1.00 0.00 H new ATOM 0 HA ASP B 41 83.472 -18.123 39.874 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.902 -21.123 40.034 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.070 -19.949 41.035 1.00 0.00 H new ATOM 1477 N LYS B 42 85.388 -20.302 41.432 1.00 0.00 N ATOM 1478 CA LYS B 42 86.180 -20.486 42.684 1.00 0.00 C ATOM 1479 C LYS B 42 87.104 -19.291 42.912 1.00 0.00 C ATOM 1480 O LYS B 42 87.202 -18.773 44.008 1.00 0.00 O ATOM 1481 CB LYS B 42 87.032 -21.746 42.557 1.00 0.00 C ATOM 1482 CG LYS B 42 86.134 -22.978 42.592 1.00 0.00 C ATOM 1483 CD LYS B 42 86.993 -24.236 42.464 1.00 0.00 C ATOM 1484 CE LYS B 42 86.090 -25.469 42.510 1.00 0.00 C ATOM 1485 NZ LYS B 42 86.897 -26.691 42.235 1.00 0.00 N ATOM 0 H LYS B 42 85.523 -21.023 40.723 1.00 0.00 H new ATOM 0 HA LYS B 42 85.492 -20.573 43.525 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.597 -21.722 41.625 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.758 -21.790 43.369 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.569 -23.003 43.524 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.408 -22.936 41.780 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.552 -24.215 41.529 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.724 -24.275 43.272 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.615 -25.548 43.488 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.292 -25.375 41.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 86.281 -27.528 42.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.331 -26.616 41.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 87.643 -26.783 42.953 1.00 0.00 H new ATOM 1499 N CYS B 43 87.785 -18.852 41.895 1.00 0.00 N ATOM 1500 CA CYS B 43 88.708 -17.696 42.070 1.00 0.00 C ATOM 1501 C CYS B 43 87.903 -16.393 42.111 1.00 0.00 C ATOM 1502 O CYS B 43 88.262 -15.449 42.787 1.00 0.00 O ATOM 1503 CB CYS B 43 89.680 -17.622 40.891 1.00 0.00 C ATOM 1504 SG CYS B 43 90.485 -19.222 40.650 1.00 0.00 S ATOM 0 H CYS B 43 87.745 -19.240 40.953 1.00 0.00 H new ATOM 0 HA CYS B 43 89.259 -17.829 43.001 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.145 -17.335 39.986 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.430 -16.853 41.075 1.00 0.00 H new ATOM 1509 N GLN B 44 86.831 -16.324 41.365 1.00 0.00 N ATOM 1510 CA GLN B 44 86.022 -15.069 41.330 1.00 0.00 C ATOM 1511 C GLN B 44 85.128 -14.975 42.564 1.00 0.00 C ATOM 1512 O GLN B 44 85.327 -14.138 43.422 1.00 0.00 O ATOM 1513 CB GLN B 44 85.145 -15.067 40.068 1.00 0.00 C ATOM 1514 CG GLN B 44 84.339 -13.763 39.998 1.00 0.00 C ATOM 1515 CD GLN B 44 83.477 -13.748 38.732 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.276 -12.709 38.135 1.00 0.00 O ATOM 1517 NE2 GLN B 44 82.949 -14.860 38.300 1.00 0.00 N ATOM 0 H GLN B 44 86.481 -17.082 40.779 1.00 0.00 H new ATOM 0 HA GLN B 44 86.698 -14.214 41.318 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.769 -15.168 39.180 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.470 -15.923 40.082 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.706 -13.669 40.880 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.015 -12.908 39.998 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.117 -15.733 38.801 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.368 -14.857 37.462 1.00 0.00 H new ATOM 1526 N LEU B 45 84.134 -15.806 42.654 1.00 0.00 N ATOM 1527 CA LEU B 45 83.217 -15.737 43.824 1.00 0.00 C ATOM 1528 C LEU B 45 83.954 -16.213 45.082 1.00 0.00 C ATOM 1529 O LEU B 45 84.700 -17.172 45.052 1.00 0.00 O ATOM 1530 CB LEU B 45 82.001 -16.634 43.562 1.00 0.00 C ATOM 1531 CG LEU B 45 81.290 -16.184 42.274 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.110 -17.122 41.994 1.00 0.00 C ATOM 1533 CD2 LEU B 45 80.782 -14.739 42.423 1.00 0.00 C ATOM 0 H LEU B 45 83.915 -16.530 41.970 1.00 0.00 H new ATOM 0 HA LEU B 45 82.885 -14.709 43.973 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.317 -17.673 43.470 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.312 -16.584 44.405 1.00 0.00 H new ATOM 0 HG LEU B 45 81.995 -16.222 41.443 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.603 -16.807 41.082 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.476 -18.141 41.872 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.410 -17.086 42.829 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.281 -14.433 41.505 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.080 -14.684 43.255 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.625 -14.075 42.615 1.00 0.00 H new ATOM 1545 N LYS B 46 83.748 -15.548 46.190 1.00 0.00 N ATOM 1546 CA LYS B 46 84.428 -15.958 47.454 1.00 0.00 C ATOM 1547 C LYS B 46 83.596 -17.053 48.127 1.00 0.00 C ATOM 1548 O LYS B 46 82.386 -17.063 48.037 1.00 0.00 O ATOM 1549 CB LYS B 46 84.535 -14.748 48.387 1.00 0.00 C ATOM 1550 CG LYS B 46 83.129 -14.260 48.746 1.00 0.00 C ATOM 1551 CD LYS B 46 83.211 -12.864 49.366 1.00 0.00 C ATOM 1552 CE LYS B 46 84.014 -12.920 50.666 1.00 0.00 C ATOM 1553 NZ LYS B 46 83.760 -11.685 51.458 1.00 0.00 N ATOM 0 H LYS B 46 83.136 -14.736 46.273 1.00 0.00 H new ATOM 0 HA LYS B 46 85.428 -16.334 47.237 1.00 0.00 H new ATOM 0 HB2 LYS B 46 85.080 -15.019 49.291 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.097 -13.949 47.903 1.00 0.00 H new ATOM 0 HG2 LYS B 46 82.503 -14.236 47.854 1.00 0.00 H new ATOM 0 HG3 LYS B 46 82.661 -14.952 49.446 1.00 0.00 H new ATOM 0 HD2 LYS B 46 83.682 -12.173 48.667 1.00 0.00 H new ATOM 0 HD3 LYS B 46 82.208 -12.484 49.563 1.00 0.00 H new ATOM 0 HE2 LYS B 46 83.731 -13.800 51.243 1.00 0.00 H new ATOM 0 HE3 LYS B 46 85.078 -13.012 50.446 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 84.306 -11.722 52.343 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 84.051 -10.853 50.906 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 82.746 -11.617 51.679 1.00 0.00 H new ATOM 1567 N GLY B 47 84.227 -17.979 48.796 1.00 0.00 N ATOM 1568 CA GLY B 47 83.454 -19.071 49.458 1.00 0.00 C ATOM 1569 C GLY B 47 82.782 -18.545 50.730 1.00 0.00 C ATOM 1570 O GLY B 47 83.185 -17.546 51.288 1.00 0.00 O ATOM 0 H GLY B 47 85.239 -18.028 48.913 1.00 0.00 H new ATOM 0 HA2 GLY B 47 82.700 -19.460 48.773 1.00 0.00 H new ATOM 0 HA3 GLY B 47 84.118 -19.899 49.704 1.00 0.00 H new ATOM 1574 N GLU B 48 81.758 -19.219 51.192 1.00 0.00 N ATOM 1575 CA GLU B 48 81.052 -18.775 52.432 1.00 0.00 C ATOM 1576 C GLU B 48 80.612 -17.314 52.302 1.00 0.00 C ATOM 1577 O GLU B 48 81.027 -16.463 53.064 1.00 0.00 O ATOM 1578 CB GLU B 48 81.981 -18.914 53.644 1.00 0.00 C ATOM 1579 CG GLU B 48 82.303 -20.390 53.892 1.00 0.00 C ATOM 1580 CD GLU B 48 81.028 -21.143 54.277 1.00 0.00 C ATOM 1581 OE1 GLU B 48 80.198 -20.557 54.953 1.00 0.00 O ATOM 1582 OE2 GLU B 48 80.899 -22.293 53.887 1.00 0.00 O ATOM 0 H GLU B 48 81.379 -20.062 50.761 1.00 0.00 H new ATOM 0 HA GLU B 48 80.173 -19.404 52.570 1.00 0.00 H new ATOM 0 HB2 GLU B 48 82.902 -18.357 53.472 1.00 0.00 H new ATOM 0 HB3 GLU B 48 81.508 -18.484 54.526 1.00 0.00 H new ATOM 0 HG2 GLU B 48 82.740 -20.831 52.996 1.00 0.00 H new ATOM 0 HG3 GLU B 48 83.044 -20.481 54.686 1.00 0.00 H new ATOM 1589 N ALA B 49 79.766 -17.015 51.352 1.00 0.00 N ATOM 1590 CA ALA B 49 79.294 -15.607 51.191 1.00 0.00 C ATOM 1591 C ALA B 49 78.819 -15.081 52.547 1.00 0.00 C ATOM 1592 O ALA B 49 78.759 -15.809 53.518 1.00 0.00 O ATOM 1593 CB ALA B 49 78.142 -15.561 50.184 1.00 0.00 C ATOM 0 H ALA B 49 79.382 -17.682 50.682 1.00 0.00 H new ATOM 0 HA ALA B 49 80.110 -14.985 50.824 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.800 -14.532 50.069 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.485 -15.939 49.221 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.319 -16.179 50.544 1.00 0.00 H new ATOM 1599 N MET B 50 78.491 -13.820 52.631 1.00 0.00 N ATOM 1600 CA MET B 50 78.035 -13.264 53.934 1.00 0.00 C ATOM 1601 C MET B 50 76.907 -14.135 54.493 1.00 0.00 C ATOM 1602 O MET B 50 76.027 -14.565 53.775 1.00 0.00 O ATOM 1603 CB MET B 50 77.516 -11.835 53.732 1.00 0.00 C ATOM 1604 CG MET B 50 78.682 -10.914 53.367 1.00 0.00 C ATOM 1605 SD MET B 50 78.072 -9.224 53.135 1.00 0.00 S ATOM 1606 CE MET B 50 79.682 -8.443 52.863 1.00 0.00 C ATOM 0 H MET B 50 78.519 -13.155 51.858 1.00 0.00 H new ATOM 0 HA MET B 50 78.872 -13.252 54.633 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.765 -11.818 52.942 1.00 0.00 H new ATOM 0 HB3 MET B 50 77.031 -11.481 54.642 1.00 0.00 H new ATOM 0 HG2 MET B 50 79.435 -10.935 54.155 1.00 0.00 H new ATOM 0 HG3 MET B 50 79.165 -11.266 52.455 1.00 0.00 H new ATOM 0 HE1 MET B 50 79.544 -7.375 52.695 1.00 0.00 H new ATOM 0 HE2 MET B 50 80.312 -8.594 53.739 1.00 0.00 H new ATOM 0 HE3 MET B 50 80.160 -8.889 51.991 1.00 0.00 H new ATOM 1616 N HIS B 51 76.935 -14.401 55.779 1.00 0.00 N ATOM 1617 CA HIS B 51 75.875 -15.245 56.418 1.00 0.00 C ATOM 1618 C HIS B 51 75.239 -14.462 57.565 1.00 0.00 C ATOM 1619 O HIS B 51 74.249 -14.872 58.139 1.00 0.00 O ATOM 1620 CB HIS B 51 76.509 -16.519 56.976 1.00 0.00 C ATOM 1621 CG HIS B 51 75.447 -17.351 57.638 1.00 0.00 C ATOM 1622 ND1 HIS B 51 75.083 -17.166 58.963 1.00 0.00 N ATOM 1623 CD2 HIS B 51 74.662 -18.379 57.175 1.00 0.00 C ATOM 1624 CE1 HIS B 51 74.119 -18.061 59.250 1.00 0.00 C ATOM 1625 NE2 HIS B 51 73.828 -18.822 58.196 1.00 0.00 N ATOM 0 H HIS B 51 77.655 -14.065 56.419 1.00 0.00 H new ATOM 0 HA HIS B 51 75.118 -15.505 55.678 1.00 0.00 H new ATOM 0 HB2 HIS B 51 76.984 -17.085 56.174 1.00 0.00 H new ATOM 0 HB3 HIS B 51 77.290 -16.267 57.693 1.00 0.00 H new ATOM 0 HD2 HIS B 51 74.688 -18.781 56.173 1.00 0.00 H new ATOM 0 HE1 HIS B 51 73.641 -18.151 60.214 1.00 0.00 H new ATOM 0 HE2 HIS B 51 73.138 -19.572 58.148 1.00 0.00 H new ATOM 1633 N GLY B 52 75.808 -13.340 57.908 1.00 0.00 N ATOM 1634 CA GLY B 52 75.247 -12.523 59.021 1.00 0.00 C ATOM 1635 C GLY B 52 75.581 -13.179 60.364 1.00 0.00 C ATOM 1636 O GLY B 52 76.097 -14.277 60.421 1.00 0.00 O ATOM 0 H GLY B 52 76.640 -12.952 57.464 1.00 0.00 H new ATOM 0 HA2 GLY B 52 75.657 -11.514 58.987 1.00 0.00 H new ATOM 0 HA3 GLY B 52 74.167 -12.432 58.909 1.00 0.00 H new ATOM 1640 N GLN B 53 75.282 -12.507 61.448 1.00 0.00 N ATOM 1641 CA GLN B 53 75.570 -13.071 62.802 1.00 0.00 C ATOM 1642 C GLN B 53 74.275 -13.620 63.412 1.00 0.00 C ATOM 1643 O GLN B 53 73.244 -12.977 63.379 1.00 0.00 O ATOM 1644 CB GLN B 53 76.122 -11.955 63.697 1.00 0.00 C ATOM 1645 CG GLN B 53 77.524 -11.546 63.225 1.00 0.00 C ATOM 1646 CD GLN B 53 78.502 -12.708 63.413 1.00 0.00 C ATOM 1647 OE1 GLN B 53 79.504 -12.791 62.730 1.00 0.00 O ATOM 1648 NE2 GLN B 53 78.249 -13.623 64.308 1.00 0.00 N ATOM 0 H GLN B 53 74.847 -11.584 61.452 1.00 0.00 H new ATOM 0 HA GLN B 53 76.300 -13.876 62.720 1.00 0.00 H new ATOM 0 HB2 GLN B 53 75.455 -11.093 63.670 1.00 0.00 H new ATOM 0 HB3 GLN B 53 76.163 -12.295 64.732 1.00 0.00 H new ATOM 0 HG2 GLN B 53 77.492 -11.254 62.175 1.00 0.00 H new ATOM 0 HG3 GLN B 53 77.867 -10.677 63.787 1.00 0.00 H new ATOM 0 HE21 GLN B 53 77.409 -13.556 64.883 1.00 0.00 H new ATOM 0 HE22 GLN B 53 78.891 -14.405 64.433 1.00 0.00 H new ATOM 1657 N VAL B 54 74.324 -14.807 63.969 1.00 0.00 N ATOM 1658 CA VAL B 54 73.102 -15.419 64.590 1.00 0.00 C ATOM 1659 C VAL B 54 73.470 -15.965 65.970 1.00 0.00 C ATOM 1660 O VAL B 54 74.465 -16.644 66.129 1.00 0.00 O ATOM 1661 CB VAL B 54 72.606 -16.563 63.700 1.00 0.00 C ATOM 1662 CG1 VAL B 54 73.666 -17.665 63.644 1.00 0.00 C ATOM 1663 CG2 VAL B 54 71.299 -17.136 64.262 1.00 0.00 C ATOM 0 H VAL B 54 75.164 -15.384 64.021 1.00 0.00 H new ATOM 0 HA VAL B 54 72.316 -14.670 64.689 1.00 0.00 H new ATOM 0 HB VAL B 54 72.425 -16.180 62.696 1.00 0.00 H new ATOM 0 HG11 VAL B 54 73.312 -18.478 63.011 1.00 0.00 H new ATOM 0 HG12 VAL B 54 74.590 -17.260 63.232 1.00 0.00 H new ATOM 0 HG13 VAL B 54 73.852 -18.043 64.649 1.00 0.00 H new ATOM 0 HG21 VAL B 54 70.954 -17.949 63.623 1.00 0.00 H new ATOM 0 HG22 VAL B 54 71.471 -17.515 65.270 1.00 0.00 H new ATOM 0 HG23 VAL B 54 70.542 -16.352 64.293 1.00 0.00 H new ATOM 1673 N ASP B 55 72.683 -15.677 66.972 1.00 0.00 N ATOM 1674 CA ASP B 55 73.007 -16.183 68.341 1.00 0.00 C ATOM 1675 C ASP B 55 71.720 -16.358 69.152 1.00 0.00 C ATOM 1676 O ASP B 55 71.822 -16.721 70.312 1.00 0.00 O ATOM 1677 CB ASP B 55 73.913 -15.171 69.038 1.00 0.00 C ATOM 1678 CG ASP B 55 73.193 -13.824 69.123 1.00 0.00 C ATOM 1679 OD1 ASP B 55 72.383 -13.552 68.252 1.00 0.00 O ATOM 1680 OD2 ASP B 55 73.461 -13.086 70.058 1.00 0.00 O ATOM 1681 OXT ASP B 55 70.658 -16.130 68.598 1.00 0.00 O ATOM 0 H ASP B 55 71.834 -15.116 66.904 1.00 0.00 H new ATOM 0 HA ASP B 55 73.511 -17.147 68.264 1.00 0.00 H new ATOM 0 HB2 ASP B 55 74.170 -15.523 70.037 1.00 0.00 H new ATOM 0 HB3 ASP B 55 74.848 -15.063 68.488 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.288 -1.700 36.016 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.216 -21.278 39.696 1.00 0.00 ZN