USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 12 HIS : no HD1:sc= -3.71! C(o=-3.2!,f=-4.9!) USER MOD Set 1.2: B 16 HIS : no HD1:sc= 0.0123 K(o=-3.2,f=-4.7) USER MOD Set 1.3: B 22 MET CE :methyl -161:sc= -0.31 (180deg=-1.38) USER MOD Set 1.4: B 40 CYS SG : rot -141:sc= 0.958 USER MOD Set 1.5: B 43 CYS SG : rot -170:sc= -0.138 USER MOD Set 2.1: A 12 HIS : no HD1:sc= -3.49! C(o=-2.8!,f=-4.6!) USER MOD Set 2.2: A 16 HIS : no HD1:sc= 0.00312 K(o=-2.8,f=-4.2) USER MOD Set 2.3: A 22 MET CE :methyl -163:sc= -0.282 (180deg=-1.35) USER MOD Set 2.4: A 40 CYS SG : rot -141:sc= 0.948 USER MOD Set 2.5: A 43 CYS SG : rot -170:sc= 0.0341 USER MOD Single : A 1 PHE N :NH3+ 162:sc= 0.521 (180deg=0.167) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.0914 USER MOD Single : A 17 SER OG : rot -170:sc= -0.861 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.119 F(o=-1.9!,f=-0.12) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc=-0.000745 K(o=-0.00074,f=-0.72) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= -0.0585 (180deg=-0.48) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.619! F(o=-1.4,f=-0.62!) USER MOD Single : B 1 PHE N :NH3+ 162:sc= 0.449 (180deg=0.149) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.0429 USER MOD Single : B 17 SER OG : rot 180:sc= -0.644 USER MOD Single : B 18 ASN :FLIP amide:sc= -0.171 F(o=-2.1!,f=-0.17) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 132:sc= -0.0819 (180deg=-0.654) USER MOD Single : B 44 GLN : amide:sc= -0.839! X(o=-0.84!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.161 -3.556 23.991 1.00 0.00 N ATOM 2 CA PHE A 1 94.462 -4.116 25.182 1.00 0.00 C ATOM 3 C PHE A 1 94.098 -2.980 26.138 1.00 0.00 C ATOM 4 O PHE A 1 92.945 -2.654 26.324 1.00 0.00 O ATOM 5 CB PHE A 1 95.384 -5.101 25.924 1.00 0.00 C ATOM 6 CG PHE A 1 95.492 -6.408 25.164 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.358 -6.499 24.069 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.746 -7.529 25.567 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.482 -7.709 23.377 1.00 0.00 C ATOM 10 CE2 PHE A 1 94.873 -8.737 24.867 1.00 0.00 C ATOM 11 CZ PHE A 1 95.740 -8.829 23.773 1.00 0.00 C ATOM 0 H1 PHE A 1 95.671 -4.317 23.499 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.463 -3.133 23.346 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.837 -2.827 24.296 1.00 0.00 H new ATOM 0 HA PHE A 1 93.563 -4.635 24.848 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.374 -4.661 26.043 1.00 0.00 H new ATOM 0 HB3 PHE A 1 94.995 -5.287 26.925 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.930 -5.637 23.758 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.078 -7.460 26.413 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.153 -7.780 22.534 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.300 -9.599 25.173 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.837 -9.761 23.235 1.00 0.00 H new ATOM 23 N LEU A 2 95.073 -2.396 26.766 1.00 0.00 N ATOM 24 CA LEU A 2 94.800 -1.312 27.741 1.00 0.00 C ATOM 25 C LEU A 2 94.309 -0.038 27.047 1.00 0.00 C ATOM 26 O LEU A 2 93.469 0.669 27.565 1.00 0.00 O ATOM 27 CB LEU A 2 96.080 -0.993 28.504 1.00 0.00 C ATOM 28 CG LEU A 2 96.736 -2.299 28.975 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.972 -1.987 29.830 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.738 -3.115 29.820 1.00 0.00 C ATOM 0 H LEU A 2 96.059 -2.626 26.644 1.00 0.00 H new ATOM 0 HA LEU A 2 94.019 -1.657 28.418 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.768 -0.438 27.866 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.856 -0.357 29.360 1.00 0.00 H new ATOM 0 HG LEU A 2 97.032 -2.875 28.098 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.431 -2.919 30.160 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.690 -1.419 29.238 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.674 -1.402 30.700 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.211 -4.040 30.150 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.436 -2.532 30.690 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.860 -3.351 29.219 1.00 0.00 H new ATOM 42 N ASP A 3 94.856 0.295 25.918 1.00 0.00 N ATOM 43 CA ASP A 3 94.439 1.566 25.260 1.00 0.00 C ATOM 44 C ASP A 3 92.947 1.556 24.908 1.00 0.00 C ATOM 45 O ASP A 3 92.219 2.483 25.212 1.00 0.00 O ATOM 46 CB ASP A 3 95.240 1.772 23.979 1.00 0.00 C ATOM 47 CG ASP A 3 96.702 2.043 24.336 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.964 2.330 25.491 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.534 1.957 23.448 1.00 0.00 O ATOM 0 H ASP A 3 95.565 -0.247 25.424 1.00 0.00 H new ATOM 0 HA ASP A 3 94.627 2.377 25.964 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.166 0.889 23.344 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.831 2.608 23.411 1.00 0.00 H new ATOM 54 N GLY A 4 92.490 0.525 24.258 1.00 0.00 N ATOM 55 CA GLY A 4 91.050 0.463 23.865 1.00 0.00 C ATOM 56 C GLY A 4 90.177 0.291 25.104 1.00 0.00 C ATOM 57 O GLY A 4 89.150 0.922 25.244 1.00 0.00 O ATOM 0 H GLY A 4 93.050 -0.281 23.980 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.769 1.374 23.336 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.888 -0.367 23.178 1.00 0.00 H new ATOM 61 N ILE A 5 90.574 -0.577 25.984 1.00 0.00 N ATOM 62 CA ILE A 5 89.774 -0.810 27.212 1.00 0.00 C ATOM 63 C ILE A 5 89.642 0.482 28.006 1.00 0.00 C ATOM 64 O ILE A 5 88.605 0.768 28.568 1.00 0.00 O ATOM 65 CB ILE A 5 90.441 -1.888 28.059 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.370 -3.227 27.297 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.710 -2.009 29.395 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.322 -4.260 27.920 1.00 0.00 C ATOM 0 H ILE A 5 91.422 -1.138 25.906 1.00 0.00 H new ATOM 0 HA ILE A 5 88.775 -1.145 26.932 1.00 0.00 H new ATOM 0 HB ILE A 5 91.482 -1.628 28.249 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.349 -3.608 27.317 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.631 -3.069 26.251 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.186 -2.779 30.002 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.753 -1.055 29.921 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.669 -2.279 29.217 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.255 -5.197 27.366 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.345 -3.885 27.877 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.042 -4.432 28.959 1.00 0.00 H new ATOM 80 N ASP A 6 90.674 1.270 28.079 1.00 0.00 N ATOM 81 CA ASP A 6 90.548 2.521 28.859 1.00 0.00 C ATOM 82 C ASP A 6 89.379 3.324 28.299 1.00 0.00 C ATOM 83 O ASP A 6 88.531 3.795 29.029 1.00 0.00 O ATOM 84 CB ASP A 6 91.826 3.354 28.761 1.00 0.00 C ATOM 85 CG ASP A 6 92.991 2.610 29.415 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.733 1.664 30.141 1.00 0.00 O ATOM 87 OD2 ASP A 6 94.124 2.998 29.182 1.00 0.00 O ATOM 0 H ASP A 6 91.580 1.105 27.641 1.00 0.00 H new ATOM 0 HA ASP A 6 90.379 2.274 29.907 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.056 3.559 27.715 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.680 4.317 29.250 1.00 0.00 H new ATOM 92 N LYS A 7 89.318 3.466 27.000 1.00 0.00 N ATOM 93 CA LYS A 7 88.184 4.224 26.400 1.00 0.00 C ATOM 94 C LYS A 7 86.892 3.433 26.600 1.00 0.00 C ATOM 95 O LYS A 7 85.872 3.970 26.994 1.00 0.00 O ATOM 96 CB LYS A 7 88.439 4.435 24.905 1.00 0.00 C ATOM 97 CG LYS A 7 87.368 5.365 24.321 1.00 0.00 C ATOM 98 CD LYS A 7 87.584 5.533 22.811 1.00 0.00 C ATOM 99 CE LYS A 7 88.928 6.228 22.530 1.00 0.00 C ATOM 100 NZ LYS A 7 88.881 6.872 21.183 1.00 0.00 N ATOM 0 H LYS A 7 89.997 3.094 26.336 1.00 0.00 H new ATOM 0 HA LYS A 7 88.094 5.196 26.885 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.429 4.865 24.753 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.424 3.477 24.385 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.376 4.955 24.511 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.411 6.337 24.813 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.564 4.558 22.325 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.769 6.119 22.385 1.00 0.00 H new ATOM 0 HE2 LYS A 7 89.130 6.976 23.296 1.00 0.00 H new ATOM 0 HE3 LYS A 7 89.741 5.503 22.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 89.789 7.342 20.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 88.706 6.147 20.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 88.115 7.575 21.161 1.00 0.00 H new ATOM 114 N ALA A 8 86.927 2.153 26.341 1.00 0.00 N ATOM 115 CA ALA A 8 85.710 1.309 26.517 1.00 0.00 C ATOM 116 C ALA A 8 85.281 1.302 27.984 1.00 0.00 C ATOM 117 O ALA A 8 84.110 1.324 28.298 1.00 0.00 O ATOM 118 CB ALA A 8 86.006 -0.127 26.062 1.00 0.00 C ATOM 0 H ALA A 8 87.753 1.653 26.013 1.00 0.00 H new ATOM 0 HA ALA A 8 84.903 1.724 25.913 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.115 -0.741 26.192 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.294 -0.124 25.011 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.820 -0.538 26.660 1.00 0.00 H new ATOM 124 N GLN A 9 86.230 1.257 28.885 1.00 0.00 N ATOM 125 CA GLN A 9 85.882 1.237 30.328 1.00 0.00 C ATOM 126 C GLN A 9 85.016 2.455 30.669 1.00 0.00 C ATOM 127 O GLN A 9 84.053 2.352 31.402 1.00 0.00 O ATOM 128 CB GLN A 9 87.182 1.260 31.154 1.00 0.00 C ATOM 129 CG GLN A 9 86.852 1.079 32.639 1.00 0.00 C ATOM 130 CD GLN A 9 88.140 1.100 33.479 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.230 0.971 32.959 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.050 1.256 34.776 1.00 0.00 N ATOM 0 H GLN A 9 87.229 1.233 28.678 1.00 0.00 H new ATOM 0 HA GLN A 9 85.319 0.334 30.562 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.850 0.466 30.821 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.706 2.203 31.000 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.182 1.873 32.969 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.327 0.136 32.789 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.135 1.365 35.214 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.894 1.269 35.348 1.00 0.00 H new ATOM 141 N GLU A 10 85.330 3.600 30.125 1.00 0.00 N ATOM 142 CA GLU A 10 84.497 4.797 30.408 1.00 0.00 C ATOM 143 C GLU A 10 83.064 4.534 29.939 1.00 0.00 C ATOM 144 O GLU A 10 82.107 4.873 30.610 1.00 0.00 O ATOM 145 CB GLU A 10 85.073 5.998 29.665 1.00 0.00 C ATOM 146 CG GLU A 10 84.395 7.280 30.154 1.00 0.00 C ATOM 147 CD GLU A 10 84.768 8.445 29.234 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.504 8.216 28.287 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.308 9.546 29.488 1.00 0.00 O ATOM 0 H GLU A 10 86.122 3.755 29.502 1.00 0.00 H new ATOM 0 HA GLU A 10 84.495 5.004 31.478 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.149 6.058 29.830 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.921 5.881 28.592 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.313 7.148 30.169 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.703 7.498 31.176 1.00 0.00 H new ATOM 156 N GLU A 11 82.913 3.903 28.809 1.00 0.00 N ATOM 157 CA GLU A 11 81.548 3.595 28.302 1.00 0.00 C ATOM 158 C GLU A 11 80.833 2.712 29.323 1.00 0.00 C ATOM 159 O GLU A 11 79.657 2.863 29.583 1.00 0.00 O ATOM 160 CB GLU A 11 81.664 2.864 26.961 1.00 0.00 C ATOM 161 CG GLU A 11 80.327 2.912 26.218 1.00 0.00 C ATOM 162 CD GLU A 11 80.096 4.329 25.690 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.959 5.165 25.904 1.00 0.00 O ATOM 164 OE2 GLU A 11 79.067 4.551 25.080 1.00 0.00 O ATOM 0 H GLU A 11 83.678 3.587 28.213 1.00 0.00 H new ATOM 0 HA GLU A 11 80.980 4.514 28.157 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.443 3.324 26.353 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.960 1.828 27.127 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.330 2.200 25.393 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.515 2.623 26.886 1.00 0.00 H new ATOM 171 N HIS A 12 81.543 1.783 29.900 1.00 0.00 N ATOM 172 CA HIS A 12 80.904 0.895 30.907 1.00 0.00 C ATOM 173 C HIS A 12 80.395 1.733 32.075 1.00 0.00 C ATOM 174 O HIS A 12 79.285 1.584 32.521 1.00 0.00 O ATOM 175 CB HIS A 12 81.921 -0.125 31.419 1.00 0.00 C ATOM 176 CG HIS A 12 81.208 -1.034 32.367 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.900 -2.363 32.047 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.652 -0.793 33.593 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.173 -2.859 33.077 1.00 0.00 C ATOM 180 NE2 HIS A 12 80.017 -1.928 34.011 1.00 0.00 N ATOM 0 H HIS A 12 82.530 1.602 29.719 1.00 0.00 H new ATOM 0 HA HIS A 12 80.070 0.369 30.443 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.346 -0.692 30.591 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.749 0.377 31.919 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.706 0.138 34.139 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.779 -3.863 33.131 1.00 0.00 H new ATOM 0 HE2 HIS A 12 79.510 -2.041 34.889 1.00 0.00 H new ATOM 188 N GLU A 13 81.210 2.603 32.585 1.00 0.00 N ATOM 189 CA GLU A 13 80.771 3.436 33.735 1.00 0.00 C ATOM 190 C GLU A 13 79.538 4.265 33.354 1.00 0.00 C ATOM 191 O GLU A 13 78.623 4.432 34.133 1.00 0.00 O ATOM 192 CB GLU A 13 81.925 4.351 34.138 1.00 0.00 C ATOM 193 CG GLU A 13 81.554 5.108 35.417 1.00 0.00 C ATOM 194 CD GLU A 13 82.660 6.101 35.766 1.00 0.00 C ATOM 195 OE1 GLU A 13 83.614 6.188 35.011 1.00 0.00 O ATOM 196 OE2 GLU A 13 82.533 6.761 36.787 1.00 0.00 O ATOM 0 H GLU A 13 82.161 2.776 32.258 1.00 0.00 H new ATOM 0 HA GLU A 13 80.498 2.795 34.573 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.829 3.764 34.299 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.142 5.056 33.335 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.610 5.634 35.279 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.410 4.406 36.238 1.00 0.00 H new ATOM 203 N LYS A 14 79.521 4.815 32.169 1.00 0.00 N ATOM 204 CA LYS A 14 78.358 5.650 31.753 1.00 0.00 C ATOM 205 C LYS A 14 77.037 4.866 31.739 1.00 0.00 C ATOM 206 O LYS A 14 75.985 5.440 31.925 1.00 0.00 O ATOM 207 CB LYS A 14 78.608 6.219 30.351 1.00 0.00 C ATOM 208 CG LYS A 14 79.761 7.228 30.404 1.00 0.00 C ATOM 209 CD LYS A 14 80.056 7.753 28.990 1.00 0.00 C ATOM 210 CE LYS A 14 78.970 8.739 28.545 1.00 0.00 C ATOM 211 NZ LYS A 14 79.439 9.505 27.348 1.00 0.00 N ATOM 0 H LYS A 14 80.261 4.722 31.473 1.00 0.00 H new ATOM 0 HA LYS A 14 78.263 6.449 32.489 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.848 5.413 29.658 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.705 6.702 29.977 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.502 8.057 31.063 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.651 6.756 30.820 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.029 8.243 28.974 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.107 6.919 28.290 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.053 8.200 28.307 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.734 9.426 29.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.699 10.172 27.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 80.303 10.032 27.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.642 8.844 26.571 1.00 0.00 H new ATOM 225 N TYR A 15 77.060 3.577 31.464 1.00 0.00 N ATOM 226 CA TYR A 15 75.757 2.812 31.378 1.00 0.00 C ATOM 227 C TYR A 15 75.845 1.412 32.001 1.00 0.00 C ATOM 228 O TYR A 15 74.856 0.712 32.079 1.00 0.00 O ATOM 229 CB TYR A 15 75.419 2.636 29.894 1.00 0.00 C ATOM 230 CG TYR A 15 75.575 3.947 29.156 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.507 4.853 29.094 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.788 4.254 28.516 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.652 6.061 28.397 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.934 5.460 27.822 1.00 0.00 C ATOM 235 CZ TYR A 15 75.861 6.364 27.768 1.00 0.00 C ATOM 236 OH TYR A 15 75.996 7.566 27.096 1.00 0.00 O ATOM 0 H TYR A 15 77.903 3.028 31.298 1.00 0.00 H new ATOM 0 HA TYR A 15 75.002 3.376 31.925 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.073 1.884 29.453 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.397 2.272 29.788 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.573 4.621 29.583 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.611 3.556 28.560 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.828 6.757 28.347 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.867 5.694 27.331 1.00 0.00 H new ATOM 0 HH TYR A 15 75.427 8.243 27.519 1.00 0.00 H new ATOM 246 N HIS A 16 77.005 0.961 32.377 1.00 0.00 N ATOM 247 CA HIS A 16 77.120 -0.420 32.922 1.00 0.00 C ATOM 248 C HIS A 16 76.572 -1.383 31.872 1.00 0.00 C ATOM 249 O HIS A 16 75.857 -2.316 32.174 1.00 0.00 O ATOM 250 CB HIS A 16 76.327 -0.592 34.229 1.00 0.00 C ATOM 251 CG HIS A 16 76.989 0.137 35.365 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.061 -0.368 36.088 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.689 1.335 35.982 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.374 0.477 37.075 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.561 1.540 37.058 1.00 0.00 N ATOM 0 H HIS A 16 77.878 1.486 32.332 1.00 0.00 H new ATOM 0 HA HIS A 16 78.167 -0.623 33.147 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.313 -0.217 34.094 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.245 -1.652 34.471 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.902 2.011 35.681 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.172 0.323 37.787 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.574 2.335 37.697 1.00 0.00 H new ATOM 263 N SER A 17 76.895 -1.148 30.631 1.00 0.00 N ATOM 264 CA SER A 17 76.397 -2.026 29.541 1.00 0.00 C ATOM 265 C SER A 17 76.899 -3.467 29.732 1.00 0.00 C ATOM 266 O SER A 17 77.878 -3.704 30.403 1.00 0.00 O ATOM 267 CB SER A 17 76.916 -1.488 28.210 1.00 0.00 C ATOM 268 OG SER A 17 78.326 -1.617 28.192 1.00 0.00 O ATOM 0 H SER A 17 77.489 -0.377 30.325 1.00 0.00 H new ATOM 0 HA SER A 17 75.307 -2.033 29.556 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.475 -2.040 27.380 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.630 -0.444 28.086 1.00 0.00 H new ATOM 0 HG SER A 17 78.689 -1.136 27.419 1.00 0.00 H new ATOM 274 N ASN A 18 76.239 -4.426 29.132 1.00 0.00 N ATOM 275 CA ASN A 18 76.675 -5.844 29.269 1.00 0.00 C ATOM 276 C ASN A 18 77.935 -6.062 28.422 1.00 0.00 C ATOM 277 O ASN A 18 78.225 -5.288 27.524 1.00 0.00 O ATOM 278 CB ASN A 18 75.547 -6.769 28.789 1.00 0.00 C ATOM 279 CG ASN A 18 74.312 -6.587 29.672 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.372 -5.799 30.705 1.00 0.00 O flip ATOM 281 ND2 ASN A 18 73.280 -7.167 29.412 1.00 0.00 N flip ATOM 0 H ASN A 18 75.413 -4.284 28.551 1.00 0.00 H new ATOM 0 HA ASN A 18 76.899 -6.070 30.312 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.299 -6.546 27.751 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.878 -7.807 28.821 1.00 0.00 H new ATOM 0 HD21 ASN A 18 73.232 -7.785 28.602 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.459 -7.037 30.003 1.00 0.00 H new ATOM 288 N TRP A 19 78.701 -7.083 28.689 1.00 0.00 N ATOM 289 CA TRP A 19 79.934 -7.308 27.888 1.00 0.00 C ATOM 290 C TRP A 19 79.580 -7.429 26.399 1.00 0.00 C ATOM 291 O TRP A 19 80.371 -7.086 25.537 1.00 0.00 O ATOM 292 CB TRP A 19 80.664 -8.565 28.382 1.00 0.00 C ATOM 293 CG TRP A 19 79.933 -9.798 27.975 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.083 -10.491 28.766 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.975 -10.505 26.701 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.608 -11.578 28.061 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.120 -11.624 26.786 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.650 -10.279 25.494 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.959 -12.506 25.717 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.492 -11.158 24.409 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.638 -12.267 24.521 1.00 0.00 C ATOM 0 H TRP A 19 78.527 -7.768 29.424 1.00 0.00 H new ATOM 0 HA TRP A 19 80.601 -6.455 28.013 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.675 -8.586 27.976 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.757 -8.534 29.468 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.819 -10.236 29.782 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.956 -12.264 28.440 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.298 -9.421 25.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.314 -13.367 25.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.028 -10.980 23.488 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.507 -12.935 23.682 1.00 0.00 H new ATOM 312 N ARG A 20 78.410 -7.922 26.083 1.00 0.00 N ATOM 313 CA ARG A 20 78.029 -8.055 24.646 1.00 0.00 C ATOM 314 C ARG A 20 77.951 -6.681 23.972 1.00 0.00 C ATOM 315 O ARG A 20 78.358 -6.519 22.839 1.00 0.00 O ATOM 316 CB ARG A 20 76.670 -8.740 24.533 1.00 0.00 C ATOM 317 CG ARG A 20 76.772 -10.178 25.025 1.00 0.00 C ATOM 318 CD ARG A 20 75.420 -10.864 24.809 1.00 0.00 C ATOM 319 NE ARG A 20 75.449 -12.228 25.412 1.00 0.00 N ATOM 320 CZ ARG A 20 74.334 -12.897 25.586 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.198 -12.391 25.197 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.359 -14.085 26.128 1.00 0.00 N ATOM 0 H ARG A 20 77.707 -8.236 26.752 1.00 0.00 H new ATOM 0 HA ARG A 20 78.792 -8.652 24.147 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.929 -8.197 25.120 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.330 -8.724 23.498 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.556 -10.708 24.485 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.043 -10.199 26.081 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.624 -10.272 25.261 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.201 -10.931 23.743 1.00 0.00 H new ATOM 0 HE ARG A 20 76.339 -12.642 25.690 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.174 -11.472 24.756 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.333 -12.914 25.334 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.247 -14.495 26.417 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.490 -14.603 26.262 1.00 0.00 H new ATOM 336 N ALA A 21 77.430 -5.687 24.651 1.00 0.00 N ATOM 337 CA ALA A 21 77.333 -4.339 24.032 1.00 0.00 C ATOM 338 C ALA A 21 78.746 -3.773 23.868 1.00 0.00 C ATOM 339 O ALA A 21 79.122 -3.322 22.802 1.00 0.00 O ATOM 340 CB ALA A 21 76.490 -3.428 24.949 1.00 0.00 C ATOM 0 H ALA A 21 77.071 -5.756 25.603 1.00 0.00 H new ATOM 0 HA ALA A 21 76.855 -4.397 23.054 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.412 -2.436 24.504 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.493 -3.852 25.066 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.969 -3.351 25.925 1.00 0.00 H new ATOM 346 N MET A 22 79.538 -3.804 24.906 1.00 0.00 N ATOM 347 CA MET A 22 80.928 -3.278 24.794 1.00 0.00 C ATOM 348 C MET A 22 81.673 -4.049 23.713 1.00 0.00 C ATOM 349 O MET A 22 82.394 -3.478 22.920 1.00 0.00 O ATOM 350 CB MET A 22 81.655 -3.446 26.128 1.00 0.00 C ATOM 351 CG MET A 22 81.000 -2.559 27.185 1.00 0.00 C ATOM 352 SD MET A 22 82.014 -2.549 28.681 1.00 0.00 S ATOM 353 CE MET A 22 81.675 -4.248 29.196 1.00 0.00 C ATOM 0 H MET A 22 79.283 -4.170 25.824 1.00 0.00 H new ATOM 0 HA MET A 22 80.893 -2.220 24.534 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.622 -4.489 26.443 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.706 -3.180 26.017 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.887 -1.544 26.803 1.00 0.00 H new ATOM 0 HG3 MET A 22 80.000 -2.927 27.414 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.950 -4.372 30.244 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.613 -4.461 29.071 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.257 -4.937 28.584 1.00 0.00 H new ATOM 363 N ALA A 23 81.497 -5.345 23.651 1.00 0.00 N ATOM 364 CA ALA A 23 82.199 -6.125 22.589 1.00 0.00 C ATOM 365 C ALA A 23 81.785 -5.575 21.219 1.00 0.00 C ATOM 366 O ALA A 23 82.605 -5.297 20.365 1.00 0.00 O ATOM 367 CB ALA A 23 81.809 -7.611 22.679 1.00 0.00 C ATOM 0 H ALA A 23 80.907 -5.889 24.280 1.00 0.00 H new ATOM 0 HA ALA A 23 83.277 -6.033 22.723 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.327 -8.171 21.900 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.092 -8.003 23.656 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.732 -7.713 22.545 1.00 0.00 H new ATOM 373 N SER A 24 80.507 -5.411 21.007 1.00 0.00 N ATOM 374 CA SER A 24 80.008 -4.877 19.708 1.00 0.00 C ATOM 375 C SER A 24 80.398 -3.408 19.549 1.00 0.00 C ATOM 376 O SER A 24 80.691 -2.957 18.468 1.00 0.00 O ATOM 377 CB SER A 24 78.487 -5.003 19.662 1.00 0.00 C ATOM 378 OG SER A 24 78.034 -4.800 18.329 1.00 0.00 O ATOM 0 H SER A 24 79.779 -5.627 21.688 1.00 0.00 H new ATOM 0 HA SER A 24 80.455 -5.450 18.896 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.182 -5.988 20.015 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.031 -4.271 20.328 1.00 0.00 H new ATOM 0 HG SER A 24 77.058 -4.882 18.299 1.00 0.00 H new ATOM 384 N ASP A 25 80.380 -2.657 20.614 1.00 0.00 N ATOM 385 CA ASP A 25 80.732 -1.213 20.484 1.00 0.00 C ATOM 386 C ASP A 25 82.161 -1.052 19.951 1.00 0.00 C ATOM 387 O ASP A 25 82.435 -0.192 19.138 1.00 0.00 O ATOM 388 CB ASP A 25 80.631 -0.533 21.853 1.00 0.00 C ATOM 389 CG ASP A 25 79.185 -0.615 22.358 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.308 -0.853 21.544 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.980 -0.439 23.548 1.00 0.00 O ATOM 0 H ASP A 25 80.141 -2.972 21.554 1.00 0.00 H new ATOM 0 HA ASP A 25 80.036 -0.750 19.784 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.303 -1.017 22.562 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.943 0.509 21.778 1.00 0.00 H new ATOM 396 N PHE A 26 83.075 -1.874 20.410 1.00 0.00 N ATOM 397 CA PHE A 26 84.497 -1.779 19.952 1.00 0.00 C ATOM 398 C PHE A 26 84.858 -3.007 19.115 1.00 0.00 C ATOM 399 O PHE A 26 85.988 -3.167 18.691 1.00 0.00 O ATOM 400 CB PHE A 26 85.397 -1.735 21.183 1.00 0.00 C ATOM 401 CG PHE A 26 85.145 -0.450 21.945 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.838 0.710 21.597 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.218 -0.427 22.996 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.606 1.899 22.298 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.987 0.763 23.696 1.00 0.00 C ATOM 406 CZ PHE A 26 84.682 1.928 23.349 1.00 0.00 C ATOM 0 H PHE A 26 82.894 -2.613 21.089 1.00 0.00 H new ATOM 0 HA PHE A 26 84.630 -0.882 19.347 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.199 -2.595 21.823 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.444 -1.794 20.884 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.553 0.690 20.788 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.683 -1.326 23.265 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.142 2.797 22.027 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.272 0.783 24.505 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.506 2.846 23.890 1.00 0.00 H new ATOM 416 N ASN A 27 83.915 -3.879 18.886 1.00 0.00 N ATOM 417 CA ASN A 27 84.192 -5.100 18.078 1.00 0.00 C ATOM 418 C ASN A 27 85.352 -5.898 18.690 1.00 0.00 C ATOM 419 O ASN A 27 86.243 -6.344 17.992 1.00 0.00 O ATOM 420 CB ASN A 27 84.543 -4.697 16.641 1.00 0.00 C ATOM 421 CG ASN A 27 83.346 -3.986 16.011 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.212 -4.368 16.233 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.544 -2.953 15.241 1.00 0.00 N ATOM 0 H ASN A 27 82.957 -3.797 19.227 1.00 0.00 H new ATOM 0 HA ASN A 27 83.301 -5.728 18.074 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.414 -4.041 16.637 1.00 0.00 H new ATOM 0 HB3 ASN A 27 84.806 -5.579 16.057 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.749 -2.467 14.826 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.494 -2.631 15.054 1.00 0.00 H new ATOM 430 N LEU A 28 85.344 -6.084 19.986 1.00 0.00 N ATOM 431 CA LEU A 28 86.439 -6.860 20.663 1.00 0.00 C ATOM 432 C LEU A 28 85.875 -8.207 21.142 1.00 0.00 C ATOM 433 O LEU A 28 84.694 -8.315 21.412 1.00 0.00 O ATOM 434 CB LEU A 28 86.923 -6.057 21.876 1.00 0.00 C ATOM 435 CG LEU A 28 87.679 -4.804 21.399 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.783 -3.791 22.553 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.092 -5.180 20.920 1.00 0.00 C ATOM 0 H LEU A 28 84.621 -5.730 20.613 1.00 0.00 H new ATOM 0 HA LEU A 28 87.264 -7.033 19.972 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.074 -5.768 22.495 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.575 -6.673 22.496 1.00 0.00 H new ATOM 0 HG LEU A 28 87.130 -4.360 20.569 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.319 -2.905 22.212 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.782 -3.507 22.879 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.322 -4.243 23.386 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.614 -4.283 20.586 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.645 -5.637 21.741 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.020 -5.887 20.093 1.00 0.00 H new ATOM 449 N PRO A 29 86.703 -9.224 21.251 1.00 0.00 N ATOM 450 CA PRO A 29 86.250 -10.572 21.714 1.00 0.00 C ATOM 451 C PRO A 29 85.686 -10.516 23.152 1.00 0.00 C ATOM 452 O PRO A 29 86.151 -9.754 23.974 1.00 0.00 O ATOM 453 CB PRO A 29 87.530 -11.439 21.646 1.00 0.00 C ATOM 454 CG PRO A 29 88.670 -10.469 21.628 1.00 0.00 C ATOM 455 CD PRO A 29 88.146 -9.215 20.942 1.00 0.00 C ATOM 0 HA PRO A 29 85.440 -10.971 21.103 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.597 -12.108 22.504 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.533 -12.065 20.754 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.009 -10.247 22.640 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.523 -10.880 21.089 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.632 -8.317 21.324 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.326 -9.242 19.867 1.00 0.00 H new ATOM 463 N PRO A 30 84.692 -11.318 23.461 1.00 0.00 N ATOM 464 CA PRO A 30 84.083 -11.335 24.818 1.00 0.00 C ATOM 465 C PRO A 30 85.121 -11.199 25.937 1.00 0.00 C ATOM 466 O PRO A 30 84.887 -10.567 26.945 1.00 0.00 O ATOM 467 CB PRO A 30 83.398 -12.713 24.896 1.00 0.00 C ATOM 468 CG PRO A 30 83.158 -13.145 23.474 1.00 0.00 C ATOM 469 CD PRO A 30 84.044 -12.277 22.561 1.00 0.00 C ATOM 0 HA PRO A 30 83.403 -10.494 24.957 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.028 -13.432 25.420 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.460 -12.650 25.447 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.400 -14.200 23.350 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.107 -13.026 23.211 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.781 -12.883 22.034 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.449 -11.767 21.803 1.00 0.00 H new ATOM 477 N VAL A 31 86.252 -11.805 25.783 1.00 0.00 N ATOM 478 CA VAL A 31 87.281 -11.740 26.856 1.00 0.00 C ATOM 479 C VAL A 31 87.592 -10.300 27.215 1.00 0.00 C ATOM 480 O VAL A 31 87.622 -9.944 28.375 1.00 0.00 O ATOM 481 CB VAL A 31 88.549 -12.436 26.358 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.692 -12.368 27.399 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.206 -13.896 26.058 1.00 0.00 C ATOM 0 H VAL A 31 86.516 -12.346 24.960 1.00 0.00 H new ATOM 0 HA VAL A 31 86.903 -12.237 27.749 1.00 0.00 H new ATOM 0 HB VAL A 31 88.901 -11.926 25.461 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.573 -12.874 27.005 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.934 -11.326 27.606 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.375 -12.856 28.320 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.097 -14.413 25.701 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.846 -14.379 26.966 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.431 -13.938 25.293 1.00 0.00 H new ATOM 493 N VAL A 32 87.849 -9.470 26.264 1.00 0.00 N ATOM 494 CA VAL A 32 88.174 -8.071 26.630 1.00 0.00 C ATOM 495 C VAL A 32 86.945 -7.404 27.256 1.00 0.00 C ATOM 496 O VAL A 32 87.041 -6.744 28.276 1.00 0.00 O ATOM 497 CB VAL A 32 88.602 -7.299 25.395 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.944 -5.863 25.800 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.832 -7.965 24.780 1.00 0.00 C ATOM 0 H VAL A 32 87.851 -9.686 25.267 1.00 0.00 H new ATOM 0 HA VAL A 32 88.992 -8.071 27.351 1.00 0.00 H new ATOM 0 HB VAL A 32 87.794 -7.292 24.664 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.253 -5.300 24.919 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.067 -5.391 26.243 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.756 -5.874 26.527 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.140 -7.411 23.893 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.645 -7.969 25.506 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.589 -8.991 24.502 1.00 0.00 H new ATOM 509 N ALA A 33 85.793 -7.563 26.653 1.00 0.00 N ATOM 510 CA ALA A 33 84.555 -6.931 27.213 1.00 0.00 C ATOM 511 C ALA A 33 84.186 -7.587 28.551 1.00 0.00 C ATOM 512 O ALA A 33 83.867 -6.913 29.515 1.00 0.00 O ATOM 513 CB ALA A 33 83.391 -7.080 26.227 1.00 0.00 C ATOM 0 H ALA A 33 85.655 -8.102 25.798 1.00 0.00 H new ATOM 0 HA ALA A 33 84.750 -5.871 27.376 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.498 -6.617 26.646 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.646 -6.592 25.287 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.200 -8.138 26.046 1.00 0.00 H new ATOM 519 N LYS A 34 84.224 -8.892 28.633 1.00 0.00 N ATOM 520 CA LYS A 34 83.875 -9.571 29.921 1.00 0.00 C ATOM 521 C LYS A 34 84.841 -9.145 31.024 1.00 0.00 C ATOM 522 O LYS A 34 84.467 -9.003 32.174 1.00 0.00 O ATOM 523 CB LYS A 34 83.930 -11.090 29.747 1.00 0.00 C ATOM 524 CG LYS A 34 82.751 -11.552 28.885 1.00 0.00 C ATOM 525 CD LYS A 34 82.627 -13.081 28.937 1.00 0.00 C ATOM 526 CE LYS A 34 83.965 -13.741 28.577 1.00 0.00 C ATOM 527 NZ LYS A 34 83.739 -15.177 28.278 1.00 0.00 N ATOM 0 H LYS A 34 84.480 -9.516 27.868 1.00 0.00 H new ATOM 0 HA LYS A 34 82.863 -9.279 30.203 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.871 -11.379 29.279 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.895 -11.579 30.720 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.829 -11.092 29.240 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.894 -11.226 27.855 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.318 -13.393 29.934 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.853 -13.413 28.245 1.00 0.00 H new ATOM 0 HE2 LYS A 34 84.409 -13.244 27.714 1.00 0.00 H new ATOM 0 HE3 LYS A 34 84.669 -13.636 29.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 84.644 -15.627 28.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.333 -15.646 29.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.081 -15.266 27.478 1.00 0.00 H new ATOM 541 N GLU A 35 86.085 -8.952 30.699 1.00 0.00 N ATOM 542 CA GLU A 35 87.063 -8.549 31.739 1.00 0.00 C ATOM 543 C GLU A 35 86.640 -7.221 32.364 1.00 0.00 C ATOM 544 O GLU A 35 86.761 -7.020 33.556 1.00 0.00 O ATOM 545 CB GLU A 35 88.444 -8.403 31.110 1.00 0.00 C ATOM 546 CG GLU A 35 89.500 -8.233 32.207 1.00 0.00 C ATOM 547 CD GLU A 35 89.466 -6.798 32.751 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.963 -5.927 32.059 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.948 -6.598 33.855 1.00 0.00 O ATOM 0 H GLU A 35 86.466 -9.056 29.759 1.00 0.00 H new ATOM 0 HA GLU A 35 87.096 -9.313 32.515 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.673 -9.281 30.506 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.460 -7.542 30.441 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.315 -8.941 33.015 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.490 -8.456 31.808 1.00 0.00 H new ATOM 556 N ILE A 36 86.147 -6.299 31.581 1.00 0.00 N ATOM 557 CA ILE A 36 85.722 -5.005 32.165 1.00 0.00 C ATOM 558 C ILE A 36 84.624 -5.254 33.206 1.00 0.00 C ATOM 559 O ILE A 36 84.597 -4.645 34.262 1.00 0.00 O ATOM 560 CB ILE A 36 85.203 -4.080 31.059 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.345 -3.794 30.071 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.711 -2.771 31.692 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.814 -2.985 28.890 1.00 0.00 C ATOM 0 H ILE A 36 86.023 -6.389 30.573 1.00 0.00 H new ATOM 0 HA ILE A 36 86.573 -4.526 32.649 1.00 0.00 H new ATOM 0 HB ILE A 36 84.377 -4.552 30.526 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.142 -3.245 30.571 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.776 -4.731 29.718 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.340 -2.107 30.912 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.908 -2.987 32.397 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.535 -2.289 32.217 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.627 -2.784 28.192 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.032 -3.551 28.384 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.404 -2.042 29.250 1.00 0.00 H new ATOM 575 N VAL A 37 83.725 -6.159 32.926 1.00 0.00 N ATOM 576 CA VAL A 37 82.636 -6.473 33.898 1.00 0.00 C ATOM 577 C VAL A 37 83.262 -7.000 35.189 1.00 0.00 C ATOM 578 O VAL A 37 82.832 -6.694 36.283 1.00 0.00 O ATOM 579 CB VAL A 37 81.693 -7.522 33.297 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.683 -7.991 34.353 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.932 -6.899 32.131 1.00 0.00 C ATOM 0 H VAL A 37 83.697 -6.698 32.060 1.00 0.00 H new ATOM 0 HA VAL A 37 82.060 -5.573 34.116 1.00 0.00 H new ATOM 0 HB VAL A 37 82.280 -8.374 32.955 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.018 -8.736 33.915 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.216 -8.431 35.196 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.096 -7.140 34.699 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.259 -7.640 31.698 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.353 -6.047 32.488 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.639 -6.564 31.372 1.00 0.00 H new ATOM 591 N ALA A 38 84.273 -7.813 35.069 1.00 0.00 N ATOM 592 CA ALA A 38 84.936 -8.373 36.284 1.00 0.00 C ATOM 593 C ALA A 38 85.470 -7.235 37.151 1.00 0.00 C ATOM 594 O ALA A 38 85.445 -7.296 38.361 1.00 0.00 O ATOM 595 CB ALA A 38 86.088 -9.288 35.856 1.00 0.00 C ATOM 0 H ALA A 38 84.672 -8.116 34.180 1.00 0.00 H new ATOM 0 HA ALA A 38 84.213 -8.948 36.862 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.574 -9.699 36.741 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.698 -10.102 35.245 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.812 -8.715 35.277 1.00 0.00 H new ATOM 601 N SER A 39 85.940 -6.198 36.530 1.00 0.00 N ATOM 602 CA SER A 39 86.468 -5.049 37.309 1.00 0.00 C ATOM 603 C SER A 39 85.295 -4.274 37.922 1.00 0.00 C ATOM 604 O SER A 39 85.436 -3.631 38.946 1.00 0.00 O ATOM 605 CB SER A 39 87.256 -4.146 36.359 1.00 0.00 C ATOM 606 OG SER A 39 88.286 -4.910 35.739 1.00 0.00 O ATOM 0 H SER A 39 85.982 -6.094 35.516 1.00 0.00 H new ATOM 0 HA SER A 39 87.119 -5.396 38.112 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.593 -3.725 35.603 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.687 -3.308 36.907 1.00 0.00 H new ATOM 0 HG SER A 39 88.794 -4.338 35.127 1.00 0.00 H new ATOM 612 N CYS A 40 84.142 -4.324 37.309 1.00 0.00 N ATOM 613 CA CYS A 40 82.965 -3.588 37.863 1.00 0.00 C ATOM 614 C CYS A 40 82.272 -4.450 38.933 1.00 0.00 C ATOM 615 O CYS A 40 81.609 -5.421 38.628 1.00 0.00 O ATOM 616 CB CYS A 40 81.983 -3.271 36.739 1.00 0.00 C ATOM 617 SG CYS A 40 80.509 -2.492 37.437 1.00 0.00 S ATOM 0 H CYS A 40 83.963 -4.842 36.449 1.00 0.00 H new ATOM 0 HA CYS A 40 83.303 -2.657 38.317 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.448 -2.608 36.010 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.710 -4.184 36.210 1.00 0.00 H new ATOM 0 HG CYS A 40 79.452 -2.933 36.822 1.00 0.00 H new ATOM 622 N ASP A 41 82.433 -4.102 40.182 1.00 0.00 N ATOM 623 CA ASP A 41 81.803 -4.895 41.294 1.00 0.00 C ATOM 624 C ASP A 41 80.275 -4.881 41.184 1.00 0.00 C ATOM 625 O ASP A 41 79.604 -5.810 41.602 1.00 0.00 O ATOM 626 CB ASP A 41 82.228 -4.313 42.650 1.00 0.00 C ATOM 627 CG ASP A 41 83.722 -4.582 42.871 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.336 -5.154 41.985 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.226 -4.204 43.918 1.00 0.00 O ATOM 0 H ASP A 41 82.978 -3.296 40.488 1.00 0.00 H new ATOM 0 HA ASP A 41 82.143 -5.927 41.213 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.032 -3.241 42.676 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.643 -4.764 43.452 1.00 0.00 H new ATOM 634 N LYS A 42 79.705 -3.829 40.664 1.00 0.00 N ATOM 635 CA LYS A 42 78.224 -3.766 40.561 1.00 0.00 C ATOM 636 C LYS A 42 77.719 -4.760 39.512 1.00 0.00 C ATOM 637 O LYS A 42 76.700 -5.397 39.689 1.00 0.00 O ATOM 638 CB LYS A 42 77.794 -2.343 40.174 1.00 0.00 C ATOM 639 CG LYS A 42 78.158 -1.370 41.297 1.00 0.00 C ATOM 640 CD LYS A 42 77.602 0.013 40.945 1.00 0.00 C ATOM 641 CE LYS A 42 77.976 1.006 42.044 1.00 0.00 C ATOM 642 NZ LYS A 42 79.454 1.181 42.059 1.00 0.00 N ATOM 0 H LYS A 42 80.202 -3.013 40.307 1.00 0.00 H new ATOM 0 HA LYS A 42 77.793 -4.027 41.528 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.285 -2.044 39.248 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.720 -2.315 39.989 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.744 -1.714 42.245 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.240 -1.323 41.420 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.003 0.345 39.988 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.518 -0.035 40.837 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.486 1.964 41.869 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.630 0.643 43.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.693 2.079 42.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.892 0.393 42.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.812 1.194 41.083 1.00 0.00 H new ATOM 656 N CYS A 43 78.419 -4.903 38.422 1.00 0.00 N ATOM 657 CA CYS A 43 77.976 -5.865 37.371 1.00 0.00 C ATOM 658 C CYS A 43 78.580 -7.244 37.653 1.00 0.00 C ATOM 659 O CYS A 43 78.139 -8.241 37.128 1.00 0.00 O ATOM 660 CB CYS A 43 78.440 -5.349 36.010 1.00 0.00 C ATOM 661 SG CYS A 43 77.535 -3.841 35.593 1.00 0.00 S ATOM 0 H CYS A 43 79.279 -4.396 38.212 1.00 0.00 H new ATOM 0 HA CYS A 43 76.890 -5.955 37.374 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.511 -5.148 36.032 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.274 -6.108 35.246 1.00 0.00 H new ATOM 0 HG CYS A 43 77.773 -3.520 34.356 1.00 0.00 H new ATOM 666 N GLN A 44 79.590 -7.317 38.489 1.00 0.00 N ATOM 667 CA GLN A 44 80.207 -8.646 38.795 1.00 0.00 C ATOM 668 C GLN A 44 79.239 -9.471 39.636 1.00 0.00 C ATOM 669 O GLN A 44 78.733 -10.488 39.200 1.00 0.00 O ATOM 670 CB GLN A 44 81.512 -8.444 39.582 1.00 0.00 C ATOM 671 CG GLN A 44 82.275 -9.775 39.676 1.00 0.00 C ATOM 672 CD GLN A 44 83.572 -9.571 40.463 1.00 0.00 C ATOM 673 OE1 GLN A 44 83.678 -9.962 41.608 1.00 0.00 O flip ATOM 674 NE2 GLN A 44 84.576 -8.971 39.879 1.00 0.00 N flip ATOM 0 H GLN A 44 80.010 -6.521 38.968 1.00 0.00 H new ATOM 0 HA GLN A 44 80.422 -9.166 37.861 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.131 -7.693 39.091 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.290 -8.070 40.582 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.656 -10.527 40.165 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.499 -10.148 38.677 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.485 -8.643 38.917 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.450 -8.831 40.385 1.00 0.00 H new ATOM 844 N PHE B 1 93.828 -14.316 21.263 1.00 0.00 N ATOM 845 CA PHE B 1 92.976 -14.139 22.476 1.00 0.00 C ATOM 846 C PHE B 1 92.441 -15.507 22.923 1.00 0.00 C ATOM 847 O PHE B 1 92.812 -16.033 23.952 1.00 0.00 O ATOM 848 CB PHE B 1 91.770 -13.239 22.151 1.00 0.00 C ATOM 849 CG PHE B 1 92.184 -11.782 22.054 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.786 -11.314 20.884 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.930 -10.893 23.118 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.139 -9.958 20.766 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.291 -9.539 23.002 1.00 0.00 C ATOM 854 CZ PHE B 1 92.895 -9.074 21.826 1.00 0.00 C ATOM 0 H1 PHE B 1 93.941 -13.401 20.782 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.762 -14.677 21.544 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.375 -14.994 20.617 1.00 0.00 H new ATOM 0 HA PHE B 1 93.578 -13.683 23.262 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.320 -13.555 21.210 1.00 0.00 H new ATOM 0 HB3 PHE B 1 91.009 -13.353 22.923 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.981 -11.995 20.068 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.459 -11.251 24.021 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.599 -9.597 19.858 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.103 -8.858 23.819 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.173 -8.034 21.736 1.00 0.00 H new ATOM 866 N LEU B 2 91.537 -16.068 22.167 1.00 0.00 N ATOM 867 CA LEU B 2 90.934 -17.380 22.546 1.00 0.00 C ATOM 868 C LEU B 2 91.938 -18.537 22.416 1.00 0.00 C ATOM 869 O LEU B 2 91.920 -19.471 23.197 1.00 0.00 O ATOM 870 CB LEU B 2 89.743 -17.655 21.626 1.00 0.00 C ATOM 871 CG LEU B 2 88.843 -16.416 21.553 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.594 -16.723 20.725 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.418 -15.998 22.966 1.00 0.00 C ATOM 0 H LEU B 2 91.187 -15.671 21.295 1.00 0.00 H new ATOM 0 HA LEU B 2 90.625 -17.321 23.590 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.096 -17.918 20.629 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.174 -18.507 21.998 1.00 0.00 H new ATOM 0 HG LEU B 2 89.400 -15.606 21.083 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.961 -15.837 20.679 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.888 -17.012 19.716 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.041 -17.540 21.189 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.779 -15.117 22.908 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.870 -16.814 23.437 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.303 -15.766 23.558 1.00 0.00 H new ATOM 885 N ASP B 3 92.788 -18.514 21.429 1.00 0.00 N ATOM 886 CA ASP B 3 93.748 -19.645 21.251 1.00 0.00 C ATOM 887 C ASP B 3 94.721 -19.734 22.441 1.00 0.00 C ATOM 888 O ASP B 3 94.935 -20.790 23.011 1.00 0.00 O ATOM 889 CB ASP B 3 94.551 -19.418 19.964 1.00 0.00 C ATOM 890 CG ASP B 3 93.625 -19.523 18.743 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.597 -20.171 18.859 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.961 -18.954 17.720 1.00 0.00 O ATOM 0 H ASP B 3 92.862 -17.766 20.739 1.00 0.00 H new ATOM 0 HA ASP B 3 93.184 -20.576 21.193 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.024 -18.436 19.989 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.350 -20.155 19.889 1.00 0.00 H new ATOM 897 N GLY B 4 95.320 -18.648 22.819 1.00 0.00 N ATOM 898 CA GLY B 4 96.281 -18.698 23.960 1.00 0.00 C ATOM 899 C GLY B 4 95.530 -18.963 25.261 1.00 0.00 C ATOM 900 O GLY B 4 95.923 -19.780 26.072 1.00 0.00 O ATOM 0 H GLY B 4 95.191 -17.730 22.394 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.020 -19.481 23.790 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.825 -17.756 24.030 1.00 0.00 H new ATOM 904 N ILE B 5 94.455 -18.260 25.471 1.00 0.00 N ATOM 905 CA ILE B 5 93.672 -18.437 26.725 1.00 0.00 C ATOM 906 C ILE B 5 93.215 -19.883 26.868 1.00 0.00 C ATOM 907 O ILE B 5 93.231 -20.439 27.946 1.00 0.00 O ATOM 908 CB ILE B 5 92.457 -17.514 26.678 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.946 -16.067 26.751 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.533 -17.796 27.863 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.805 -15.102 26.411 1.00 0.00 C ATOM 0 H ILE B 5 94.082 -17.565 24.824 1.00 0.00 H new ATOM 0 HA ILE B 5 94.299 -18.189 27.582 1.00 0.00 H new ATOM 0 HB ILE B 5 91.904 -17.684 25.754 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.326 -15.854 27.750 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.774 -15.920 26.058 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.670 -17.131 27.818 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.196 -18.832 27.823 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.073 -17.626 28.794 1.00 0.00 H new ATOM 0 HD11 ILE B 5 92.168 -14.076 26.467 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.445 -15.305 25.402 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.990 -15.238 27.121 1.00 0.00 H new ATOM 923 N ASP B 6 92.817 -20.502 25.795 1.00 0.00 N ATOM 924 CA ASP B 6 92.369 -21.914 25.906 1.00 0.00 C ATOM 925 C ASP B 6 93.505 -22.726 26.524 1.00 0.00 C ATOM 926 O ASP B 6 93.299 -23.501 27.446 1.00 0.00 O ATOM 927 CB ASP B 6 92.032 -22.473 24.522 1.00 0.00 C ATOM 928 CG ASP B 6 90.779 -21.780 23.977 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.087 -21.148 24.757 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.535 -21.894 22.788 1.00 0.00 O ATOM 0 H ASP B 6 92.782 -20.099 24.859 1.00 0.00 H new ATOM 0 HA ASP B 6 91.476 -21.972 26.528 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.870 -22.318 23.842 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.867 -23.549 24.584 1.00 0.00 H new ATOM 935 N LYS B 7 94.708 -22.551 26.044 1.00 0.00 N ATOM 936 CA LYS B 7 95.853 -23.300 26.639 1.00 0.00 C ATOM 937 C LYS B 7 96.138 -22.776 28.050 1.00 0.00 C ATOM 938 O LYS B 7 96.385 -23.534 28.967 1.00 0.00 O ATOM 939 CB LYS B 7 97.104 -23.113 25.765 1.00 0.00 C ATOM 940 CG LYS B 7 98.220 -24.035 26.256 1.00 0.00 C ATOM 941 CD LYS B 7 99.491 -23.793 25.427 1.00 0.00 C ATOM 942 CE LYS B 7 99.279 -24.247 23.982 1.00 0.00 C ATOM 943 NZ LYS B 7 100.600 -24.500 23.352 1.00 0.00 N ATOM 0 H LYS B 7 94.946 -21.928 25.273 1.00 0.00 H new ATOM 0 HA LYS B 7 95.598 -24.359 26.690 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.868 -23.334 24.724 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.434 -22.075 25.803 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.421 -23.849 27.311 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.910 -25.076 26.169 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.751 -22.735 25.448 1.00 0.00 H new ATOM 0 HD3 LYS B 7 100.328 -24.335 25.866 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.672 -25.152 23.958 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.737 -23.484 23.424 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 100.462 -24.809 22.369 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 101.164 -23.626 23.364 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 101.101 -25.242 23.881 1.00 0.00 H new ATOM 957 N ALA B 8 96.098 -21.478 28.222 1.00 0.00 N ATOM 958 CA ALA B 8 96.353 -20.887 29.563 1.00 0.00 C ATOM 959 C ALA B 8 95.238 -21.291 30.525 1.00 0.00 C ATOM 960 O ALA B 8 95.467 -21.519 31.696 1.00 0.00 O ATOM 961 CB ALA B 8 96.423 -19.358 29.458 1.00 0.00 C ATOM 0 H ALA B 8 95.898 -20.802 27.484 1.00 0.00 H new ATOM 0 HA ALA B 8 97.305 -21.259 29.941 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.610 -18.934 30.444 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.231 -19.076 28.783 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.478 -18.976 29.072 1.00 0.00 H new ATOM 967 N GLN B 9 94.038 -21.376 30.031 1.00 0.00 N ATOM 968 CA GLN B 9 92.903 -21.756 30.915 1.00 0.00 C ATOM 969 C GLN B 9 93.173 -23.125 31.540 1.00 0.00 C ATOM 970 O GLN B 9 92.907 -23.349 32.699 1.00 0.00 O ATOM 971 CB GLN B 9 91.614 -21.788 30.087 1.00 0.00 C ATOM 972 CG GLN B 9 90.410 -21.956 31.015 1.00 0.00 C ATOM 973 CD GLN B 9 89.132 -22.050 30.176 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.140 -21.745 29.000 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.026 -22.459 30.732 1.00 0.00 N ATOM 0 H GLN B 9 93.793 -21.200 29.057 1.00 0.00 H new ATOM 0 HA GLN B 9 92.795 -21.026 31.717 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.517 -20.867 29.512 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.651 -22.609 29.371 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.527 -22.854 31.622 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.346 -21.113 31.702 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.016 -22.716 31.719 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.171 -22.522 30.180 1.00 0.00 H new ATOM 984 N GLU B 10 93.709 -24.051 30.790 1.00 0.00 N ATOM 985 CA GLU B 10 94.000 -25.385 31.387 1.00 0.00 C ATOM 986 C GLU B 10 94.998 -25.213 32.525 1.00 0.00 C ATOM 987 O GLU B 10 94.880 -25.825 33.565 1.00 0.00 O ATOM 988 CB GLU B 10 94.584 -26.313 30.316 1.00 0.00 C ATOM 989 CG GLU B 10 94.675 -27.743 30.849 1.00 0.00 C ATOM 990 CD GLU B 10 95.468 -28.602 29.861 1.00 0.00 C ATOM 991 OE1 GLU B 10 95.936 -28.052 28.875 1.00 0.00 O ATOM 992 OE2 GLU B 10 95.606 -29.788 30.109 1.00 0.00 O ATOM 0 H GLU B 10 93.954 -23.944 29.806 1.00 0.00 H new ATOM 0 HA GLU B 10 93.080 -25.825 31.772 1.00 0.00 H new ATOM 0 HB2 GLU B 10 93.959 -26.289 29.423 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.573 -25.963 30.022 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.160 -27.749 31.825 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.676 -28.156 30.987 1.00 0.00 H new ATOM 999 N GLU B 11 95.977 -24.356 32.346 1.00 0.00 N ATOM 1000 CA GLU B 11 96.977 -24.130 33.433 1.00 0.00 C ATOM 1001 C GLU B 11 96.239 -23.618 34.673 1.00 0.00 C ATOM 1002 O GLU B 11 96.539 -23.997 35.791 1.00 0.00 O ATOM 1003 CB GLU B 11 97.998 -23.080 32.966 1.00 0.00 C ATOM 1004 CG GLU B 11 99.236 -23.138 33.872 1.00 0.00 C ATOM 1005 CD GLU B 11 100.040 -24.390 33.526 1.00 0.00 C ATOM 1006 OE1 GLU B 11 99.650 -25.085 32.603 1.00 0.00 O ATOM 1007 OE2 GLU B 11 101.033 -24.631 34.191 1.00 0.00 O ATOM 0 H GLU B 11 96.124 -23.808 31.499 1.00 0.00 H new ATOM 0 HA GLU B 11 97.498 -25.057 33.670 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.282 -23.268 31.930 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.555 -22.085 33.000 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.847 -22.246 33.733 1.00 0.00 H new ATOM 0 HG3 GLU B 11 98.936 -23.159 34.920 1.00 0.00 H new ATOM 1014 N HIS B 12 95.272 -22.771 34.483 1.00 0.00 N ATOM 1015 CA HIS B 12 94.510 -22.248 35.647 1.00 0.00 C ATOM 1016 C HIS B 12 93.811 -23.403 36.367 1.00 0.00 C ATOM 1017 O HIS B 12 93.846 -23.510 37.576 1.00 0.00 O ATOM 1018 CB HIS B 12 93.462 -21.233 35.171 1.00 0.00 C ATOM 1019 CG HIS B 12 92.763 -20.699 36.377 1.00 0.00 C ATOM 1020 ND1 HIS B 12 92.936 -19.384 36.827 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.966 -21.317 37.303 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.256 -19.267 37.991 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.670 -20.412 38.294 1.00 0.00 N ATOM 0 H HIS B 12 94.975 -22.418 33.573 1.00 0.00 H new ATOM 0 HA HIS B 12 95.201 -21.757 36.333 1.00 0.00 H new ATOM 0 HB2 HIS B 12 93.938 -20.424 34.616 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.750 -21.707 34.496 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.627 -22.342 37.262 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.200 -18.368 38.586 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.098 -20.593 39.119 1.00 0.00 H new ATOM 1031 N GLU B 13 93.169 -24.268 35.642 1.00 0.00 N ATOM 1032 CA GLU B 13 92.472 -25.409 36.290 1.00 0.00 C ATOM 1033 C GLU B 13 93.471 -26.280 37.061 1.00 0.00 C ATOM 1034 O GLU B 13 93.207 -26.727 38.160 1.00 0.00 O ATOM 1035 CB GLU B 13 91.788 -26.251 35.211 1.00 0.00 C ATOM 1036 CG GLU B 13 90.923 -27.322 35.878 1.00 0.00 C ATOM 1037 CD GLU B 13 90.275 -28.193 34.807 1.00 0.00 C ATOM 1038 OE1 GLU B 13 90.545 -27.962 33.639 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.520 -29.076 35.169 1.00 0.00 O ATOM 0 H GLU B 13 93.096 -24.235 34.625 1.00 0.00 H new ATOM 0 HA GLU B 13 91.732 -25.024 36.992 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.173 -25.616 34.573 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.535 -26.718 34.570 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.533 -27.936 36.541 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.156 -26.853 36.494 1.00 0.00 H new ATOM 1046 N LYS B 14 94.608 -26.543 36.482 1.00 0.00 N ATOM 1047 CA LYS B 14 95.623 -27.402 37.160 1.00 0.00 C ATOM 1048 C LYS B 14 96.095 -26.810 38.506 1.00 0.00 C ATOM 1049 O LYS B 14 96.507 -27.546 39.381 1.00 0.00 O ATOM 1050 CB LYS B 14 96.838 -27.575 36.241 1.00 0.00 C ATOM 1051 CG LYS B 14 96.436 -28.380 35.006 1.00 0.00 C ATOM 1052 CD LYS B 14 97.635 -28.517 34.041 1.00 0.00 C ATOM 1053 CE LYS B 14 98.655 -29.542 34.570 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.621 -29.901 33.481 1.00 0.00 N ATOM 0 H LYS B 14 94.882 -26.198 35.562 1.00 0.00 H new ATOM 0 HA LYS B 14 95.149 -28.362 37.366 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.223 -26.600 35.943 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.640 -28.085 36.774 1.00 0.00 H new ATOM 0 HG2 LYS B 14 96.087 -29.368 35.306 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.606 -27.889 34.498 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.281 -28.825 33.057 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.119 -27.548 33.917 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.192 -29.128 35.424 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.139 -30.436 34.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.309 -30.593 33.841 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.103 -30.313 32.679 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.123 -29.046 33.166 1.00 0.00 H new ATOM 1068 N TYR B 15 96.124 -25.501 38.669 1.00 0.00 N ATOM 1069 CA TYR B 15 96.653 -24.924 39.961 1.00 0.00 C ATOM 1070 C TYR B 15 95.840 -23.707 40.453 1.00 0.00 C ATOM 1071 O TYR B 15 96.099 -23.187 41.520 1.00 0.00 O ATOM 1072 CB TYR B 15 98.087 -24.448 39.711 1.00 0.00 C ATOM 1073 CG TYR B 15 98.873 -25.512 38.975 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.564 -26.495 39.690 1.00 0.00 C ATOM 1075 CD2 TYR B 15 98.920 -25.510 37.569 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.297 -27.477 39.011 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.649 -26.492 36.890 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.340 -27.474 37.611 1.00 0.00 C ATOM 1079 OH TYR B 15 101.059 -28.450 36.940 1.00 0.00 O ATOM 0 H TYR B 15 95.811 -24.818 37.979 1.00 0.00 H new ATOM 0 HA TYR B 15 96.588 -25.703 40.721 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.075 -23.527 39.129 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.572 -24.219 40.660 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.533 -26.497 40.770 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.392 -24.749 37.013 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.828 -28.236 39.566 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.679 -26.493 35.810 1.00 0.00 H new ATOM 0 HH TYR B 15 101.064 -29.275 37.470 1.00 0.00 H new ATOM 1089 N HIS B 16 94.917 -23.221 39.670 1.00 0.00 N ATOM 1090 CA HIS B 16 94.147 -22.007 40.082 1.00 0.00 C ATOM 1091 C HIS B 16 95.161 -20.908 40.390 1.00 0.00 C ATOM 1092 O HIS B 16 95.047 -20.192 41.368 1.00 0.00 O ATOM 1093 CB HIS B 16 93.295 -22.262 41.330 1.00 0.00 C ATOM 1094 CG HIS B 16 92.108 -23.140 41.021 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.927 -22.670 40.485 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.880 -24.477 41.250 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.038 -23.665 40.408 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.575 -24.803 40.866 1.00 0.00 N ATOM 0 H HIS B 16 94.661 -23.610 38.763 1.00 0.00 H new ATOM 0 HA HIS B 16 93.469 -21.726 39.276 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.907 -22.734 42.099 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.949 -21.311 41.736 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.599 -25.169 41.663 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.031 -23.565 40.031 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.126 -25.717 40.923 1.00 0.00 H new ATOM 1106 N SER B 17 96.179 -20.790 39.575 1.00 0.00 N ATOM 1107 CA SER B 17 97.221 -19.767 39.823 1.00 0.00 C ATOM 1108 C SER B 17 96.613 -18.360 39.769 1.00 0.00 C ATOM 1109 O SER B 17 95.558 -18.159 39.196 1.00 0.00 O ATOM 1110 CB SER B 17 98.292 -19.896 38.740 1.00 0.00 C ATOM 1111 OG SER B 17 97.727 -19.540 37.482 1.00 0.00 O ATOM 0 H SER B 17 96.327 -21.365 38.746 1.00 0.00 H new ATOM 0 HA SER B 17 97.654 -19.921 40.811 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.138 -19.248 38.969 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.672 -20.917 38.706 1.00 0.00 H new ATOM 0 HG SER B 17 98.409 -19.619 36.783 1.00 0.00 H new ATOM 1117 N ASN B 18 97.261 -17.387 40.351 1.00 0.00 N ATOM 1118 CA ASN B 18 96.717 -15.998 40.323 1.00 0.00 C ATOM 1119 C ASN B 18 96.913 -15.411 38.924 1.00 0.00 C ATOM 1120 O ASN B 18 97.723 -15.888 38.150 1.00 0.00 O ATOM 1121 CB ASN B 18 97.465 -15.140 41.337 1.00 0.00 C ATOM 1122 CG ASN B 18 97.250 -15.712 42.737 1.00 0.00 C ATOM 1123 OD1 ASN B 18 96.454 -16.740 42.903 1.00 0.00 O flip ATOM 1124 ND2 ASN B 18 97.819 -15.227 43.692 1.00 0.00 N flip ATOM 0 H ASN B 18 98.146 -17.494 40.846 1.00 0.00 H new ATOM 0 HA ASN B 18 95.656 -16.015 40.572 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.529 -15.119 41.099 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.109 -14.111 41.293 1.00 0.00 H new ATOM 0 HD21 ASN B 18 98.439 -14.427 43.564 1.00 0.00 H new ATOM 0 HD22 ASN B 18 97.678 -15.619 44.623 1.00 0.00 H new ATOM 1131 N TRP B 19 96.181 -14.388 38.582 1.00 0.00 N ATOM 1132 CA TRP B 19 96.347 -13.802 37.220 1.00 0.00 C ATOM 1133 C TRP B 19 97.811 -13.381 36.996 1.00 0.00 C ATOM 1134 O TRP B 19 98.304 -13.408 35.884 1.00 0.00 O ATOM 1135 CB TRP B 19 95.399 -12.607 37.052 1.00 0.00 C ATOM 1136 CG TRP B 19 95.890 -11.439 37.831 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.448 -11.087 39.057 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.899 -10.454 37.463 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.111 -9.951 39.465 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.015 -9.518 38.519 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.706 -10.274 36.328 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.911 -8.454 38.459 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.612 -9.202 36.264 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.708 -8.292 37.324 1.00 0.00 C ATOM 0 H TRP B 19 95.485 -13.937 39.175 1.00 0.00 H new ATOM 0 HA TRP B 19 96.095 -14.553 36.471 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.322 -12.342 35.998 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.398 -12.880 37.386 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.695 -11.612 39.626 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.952 -9.486 40.359 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.630 -10.963 35.500 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.989 -7.760 39.283 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.238 -9.079 35.392 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.399 -7.464 37.264 1.00 0.00 H new ATOM 1155 N ARG B 20 98.513 -12.996 38.028 1.00 0.00 N ATOM 1156 CA ARG B 20 99.939 -12.582 37.854 1.00 0.00 C ATOM 1157 C ARG B 20 100.777 -13.755 37.338 1.00 0.00 C ATOM 1158 O ARG B 20 101.648 -13.588 36.500 1.00 0.00 O ATOM 1159 CB ARG B 20 100.501 -12.100 39.191 1.00 0.00 C ATOM 1160 CG ARG B 20 99.806 -10.801 39.597 1.00 0.00 C ATOM 1161 CD ARG B 20 100.477 -10.265 40.856 1.00 0.00 C ATOM 1162 NE ARG B 20 99.674 -9.133 41.399 1.00 0.00 N ATOM 1163 CZ ARG B 20 99.915 -8.688 42.603 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.872 -9.226 43.317 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.223 -7.693 43.079 1.00 0.00 N ATOM 0 H ARG B 20 98.162 -12.950 38.985 1.00 0.00 H new ATOM 0 HA ARG B 20 99.982 -11.772 37.126 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.350 -12.861 39.957 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.576 -11.940 39.109 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.872 -10.069 38.792 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.746 -10.980 39.780 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.562 -11.056 41.601 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.489 -9.931 40.628 1.00 0.00 H new ATOM 0 HE ARG B 20 98.940 -8.708 40.833 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.427 -9.991 42.932 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.062 -8.880 44.258 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.493 -7.262 42.512 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.411 -7.345 44.019 1.00 0.00 H new ATOM 1179 N ALA B 21 100.540 -14.941 37.835 1.00 0.00 N ATOM 1180 CA ALA B 21 101.327 -16.115 37.372 1.00 0.00 C ATOM 1181 C ALA B 21 100.960 -16.426 35.912 1.00 0.00 C ATOM 1182 O ALA B 21 101.819 -16.606 35.068 1.00 0.00 O ATOM 1183 CB ALA B 21 101.015 -17.329 38.283 1.00 0.00 C ATOM 0 H ALA B 21 99.834 -15.144 38.542 1.00 0.00 H new ATOM 0 HA ALA B 21 102.394 -15.899 37.428 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.589 -18.193 37.948 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.285 -17.091 39.312 1.00 0.00 H new ATOM 0 HB3 ALA B 21 99.951 -17.559 38.231 1.00 0.00 H new ATOM 1189 N MET B 22 99.688 -16.481 35.607 1.00 0.00 N ATOM 1190 CA MET B 22 99.275 -16.770 34.203 1.00 0.00 C ATOM 1191 C MET B 22 99.802 -15.678 33.276 1.00 0.00 C ATOM 1192 O MET B 22 100.273 -15.946 32.191 1.00 0.00 O ATOM 1193 CB MET B 22 97.743 -16.832 34.088 1.00 0.00 C ATOM 1194 CG MET B 22 97.213 -18.012 34.896 1.00 0.00 C ATOM 1195 SD MET B 22 95.440 -18.211 34.568 1.00 0.00 S ATOM 1196 CE MET B 22 94.855 -16.769 35.488 1.00 0.00 C ATOM 0 H MET B 22 98.923 -16.339 36.266 1.00 0.00 H new ATOM 0 HA MET B 22 99.691 -17.736 33.915 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.304 -15.903 34.452 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.451 -16.934 33.043 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.749 -18.922 34.627 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.382 -17.845 35.960 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.792 -16.881 35.703 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.408 -16.686 36.424 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.012 -15.869 34.893 1.00 0.00 H new ATOM 1206 N ALA B 23 99.735 -14.445 33.703 1.00 0.00 N ATOM 1207 CA ALA B 23 100.247 -13.338 32.848 1.00 0.00 C ATOM 1208 C ALA B 23 101.732 -13.584 32.544 1.00 0.00 C ATOM 1209 O ALA B 23 102.173 -13.479 31.414 1.00 0.00 O ATOM 1210 CB ALA B 23 100.093 -12.018 33.604 1.00 0.00 C ATOM 0 H ALA B 23 99.349 -14.159 34.603 1.00 0.00 H new ATOM 0 HA ALA B 23 99.686 -13.295 31.914 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.465 -11.200 32.987 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.041 -11.850 33.833 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.664 -12.061 34.532 1.00 0.00 H new ATOM 1216 N SER B 24 102.505 -13.905 33.548 1.00 0.00 N ATOM 1217 CA SER B 24 103.960 -14.160 33.334 1.00 0.00 C ATOM 1218 C SER B 24 104.159 -15.480 32.573 1.00 0.00 C ATOM 1219 O SER B 24 105.058 -15.614 31.770 1.00 0.00 O ATOM 1220 CB SER B 24 104.671 -14.252 34.688 1.00 0.00 C ATOM 1221 OG SER B 24 106.076 -14.269 34.485 1.00 0.00 O ATOM 0 H SER B 24 102.189 -14.002 34.513 1.00 0.00 H new ATOM 0 HA SER B 24 104.378 -13.340 32.751 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.394 -13.404 35.315 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.358 -15.154 35.215 1.00 0.00 H new ATOM 0 HG SER B 24 106.531 -14.326 35.351 1.00 0.00 H new ATOM 1227 N ASP B 25 103.335 -16.463 32.840 1.00 0.00 N ATOM 1228 CA ASP B 25 103.499 -17.784 32.160 1.00 0.00 C ATOM 1229 C ASP B 25 103.360 -17.618 30.645 1.00 0.00 C ATOM 1230 O ASP B 25 104.047 -18.270 29.879 1.00 0.00 O ATOM 1231 CB ASP B 25 102.424 -18.760 32.656 1.00 0.00 C ATOM 1232 CG ASP B 25 102.629 -19.032 34.152 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.727 -18.809 34.632 1.00 0.00 O ATOM 1234 OD2 ASP B 25 101.679 -19.464 34.790 1.00 0.00 O ATOM 0 H ASP B 25 102.558 -16.408 33.498 1.00 0.00 H new ATOM 0 HA ASP B 25 104.489 -18.175 32.393 1.00 0.00 H new ATOM 0 HB2 ASP B 25 101.432 -18.342 32.484 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.479 -19.693 32.095 1.00 0.00 H new ATOM 1239 N PHE B 26 102.468 -16.764 30.208 1.00 0.00 N ATOM 1240 CA PHE B 26 102.258 -16.541 28.746 1.00 0.00 C ATOM 1241 C PHE B 26 102.653 -15.112 28.372 1.00 0.00 C ATOM 1242 O PHE B 26 102.498 -14.687 27.244 1.00 0.00 O ATOM 1243 CB PHE B 26 100.774 -16.744 28.430 1.00 0.00 C ATOM 1244 CG PHE B 26 100.399 -18.183 28.669 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.589 -19.110 27.640 1.00 0.00 C ATOM 1246 CD2 PHE B 26 99.862 -18.589 29.895 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.241 -20.450 27.835 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.513 -19.929 30.095 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.705 -20.860 29.062 1.00 0.00 C ATOM 0 H PHE B 26 101.868 -16.204 30.813 1.00 0.00 H new ATOM 0 HA PHE B 26 102.871 -17.242 28.179 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.166 -16.090 29.055 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.572 -16.472 27.394 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.004 -18.791 26.695 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.717 -17.869 30.687 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.385 -21.168 27.041 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.098 -20.246 31.040 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.439 -21.896 29.214 1.00 0.00 H new ATOM 1259 N ASN B 27 103.155 -14.367 29.316 1.00 0.00 N ATOM 1260 CA ASN B 27 103.556 -12.961 29.031 1.00 0.00 C ATOM 1261 C ASN B 27 102.380 -12.188 28.423 1.00 0.00 C ATOM 1262 O ASN B 27 102.534 -11.470 27.454 1.00 0.00 O ATOM 1263 CB ASN B 27 104.748 -12.955 28.068 1.00 0.00 C ATOM 1264 CG ASN B 27 105.944 -13.643 28.732 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.182 -13.474 29.910 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.700 -14.426 28.014 1.00 0.00 N ATOM 0 H ASN B 27 103.306 -14.673 30.277 1.00 0.00 H new ATOM 0 HA ASN B 27 103.845 -12.474 29.962 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.485 -13.470 27.144 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.007 -11.931 27.799 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.495 -14.900 28.442 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.496 -14.565 27.024 1.00 0.00 H new ATOM 1273 N LEU B 28 101.204 -12.330 28.989 1.00 0.00 N ATOM 1274 CA LEU B 28 99.996 -11.600 28.464 1.00 0.00 C ATOM 1275 C LEU B 28 99.603 -10.496 29.459 1.00 0.00 C ATOM 1276 O LEU B 28 99.865 -10.609 30.639 1.00 0.00 O ATOM 1277 CB LEU B 28 98.842 -12.599 28.346 1.00 0.00 C ATOM 1278 CG LEU B 28 99.121 -13.596 27.205 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.163 -14.782 27.317 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.916 -12.900 25.842 1.00 0.00 C ATOM 0 H LEU B 28 101.024 -12.924 29.798 1.00 0.00 H new ATOM 0 HA LEU B 28 100.215 -11.157 27.493 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.718 -13.136 29.286 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.909 -12.068 28.156 1.00 0.00 H new ATOM 0 HG LEU B 28 100.150 -13.948 27.280 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.361 -15.487 26.510 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.309 -15.279 28.276 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.135 -14.427 27.245 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.114 -13.609 25.038 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.889 -12.544 25.766 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.600 -12.056 25.758 1.00 0.00 H new ATOM 1292 N PRO B 29 98.973 -9.424 28.995 1.00 0.00 N ATOM 1293 CA PRO B 29 98.557 -8.305 29.894 1.00 0.00 C ATOM 1294 C PRO B 29 97.541 -8.787 30.956 1.00 0.00 C ATOM 1295 O PRO B 29 96.756 -9.673 30.704 1.00 0.00 O ATOM 1296 CB PRO B 29 97.908 -7.271 28.939 1.00 0.00 C ATOM 1297 CG PRO B 29 97.572 -8.031 27.692 1.00 0.00 C ATOM 1298 CD PRO B 29 98.598 -9.161 27.591 1.00 0.00 C ATOM 0 HA PRO B 29 99.396 -7.891 30.453 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.015 -6.833 29.384 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.593 -6.450 28.726 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.558 -8.429 27.740 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.619 -7.383 26.817 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.173 -10.046 27.118 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.461 -8.865 26.995 1.00 0.00 H new ATOM 1306 N PRO B 30 97.554 -8.213 32.136 1.00 0.00 N ATOM 1307 CA PRO B 30 96.623 -8.604 33.226 1.00 0.00 C ATOM 1308 C PRO B 30 95.198 -8.847 32.724 1.00 0.00 C ATOM 1309 O PRO B 30 94.501 -9.717 33.193 1.00 0.00 O ATOM 1310 CB PRO B 30 96.640 -7.399 34.187 1.00 0.00 C ATOM 1311 CG PRO B 30 97.934 -6.677 33.926 1.00 0.00 C ATOM 1312 CD PRO B 30 98.458 -7.135 32.552 1.00 0.00 C ATOM 0 HA PRO B 30 96.933 -9.541 33.689 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.786 -6.746 34.008 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.579 -7.727 35.225 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.778 -5.598 33.936 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.661 -6.901 34.707 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.450 -6.315 31.834 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.487 -7.488 32.621 1.00 0.00 H new ATOM 1320 N VAL B 31 94.758 -8.058 31.797 1.00 0.00 N ATOM 1321 CA VAL B 31 93.366 -8.215 31.298 1.00 0.00 C ATOM 1322 C VAL B 31 93.112 -9.642 30.824 1.00 0.00 C ATOM 1323 O VAL B 31 92.105 -10.238 31.150 1.00 0.00 O ATOM 1324 CB VAL B 31 93.164 -7.234 30.142 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.758 -7.373 29.521 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.366 -5.815 30.689 1.00 0.00 C ATOM 0 H VAL B 31 95.297 -7.310 31.360 1.00 0.00 H new ATOM 0 HA VAL B 31 92.663 -8.007 32.104 1.00 0.00 H new ATOM 0 HB VAL B 31 93.884 -7.449 29.352 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.650 -6.661 28.703 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.627 -8.386 29.140 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.003 -7.170 30.281 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.228 -5.092 29.885 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.640 -5.623 31.479 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.374 -5.721 31.092 1.00 0.00 H new ATOM 1336 N VAL B 32 93.985 -10.191 30.052 1.00 0.00 N ATOM 1337 CA VAL B 32 93.736 -11.577 29.577 1.00 0.00 C ATOM 1338 C VAL B 32 93.810 -12.532 30.762 1.00 0.00 C ATOM 1339 O VAL B 32 92.946 -13.360 30.957 1.00 0.00 O ATOM 1340 CB VAL B 32 94.771 -11.961 28.529 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.508 -13.387 28.039 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.673 -10.987 27.359 1.00 0.00 C ATOM 0 H VAL B 32 94.849 -9.756 29.729 1.00 0.00 H new ATOM 0 HA VAL B 32 92.746 -11.636 29.125 1.00 0.00 H new ATOM 0 HB VAL B 32 95.770 -11.916 28.964 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.251 -13.657 27.289 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.573 -14.078 28.879 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.512 -13.443 27.599 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.410 -11.253 26.602 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.674 -11.038 26.926 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.865 -9.974 27.712 1.00 0.00 H new ATOM 1352 N ALA B 33 94.845 -12.409 31.556 1.00 0.00 N ATOM 1353 CA ALA B 33 94.993 -13.303 32.742 1.00 0.00 C ATOM 1354 C ALA B 33 93.867 -13.036 33.756 1.00 0.00 C ATOM 1355 O ALA B 33 93.259 -13.951 34.273 1.00 0.00 O ATOM 1356 CB ALA B 33 96.352 -13.061 33.419 1.00 0.00 C ATOM 0 H ALA B 33 95.593 -11.727 31.432 1.00 0.00 H new ATOM 0 HA ALA B 33 94.934 -14.337 32.403 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.450 -13.718 34.283 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.154 -13.271 32.711 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.417 -12.022 33.744 1.00 0.00 H new ATOM 1362 N LYS B 34 93.581 -11.790 34.046 1.00 0.00 N ATOM 1363 CA LYS B 34 92.491 -11.507 35.031 1.00 0.00 C ATOM 1364 C LYS B 34 91.162 -12.048 34.510 1.00 0.00 C ATOM 1365 O LYS B 34 90.324 -12.490 35.266 1.00 0.00 O ATOM 1366 CB LYS B 34 92.360 -10.002 35.293 1.00 0.00 C ATOM 1367 CG LYS B 34 93.570 -9.497 36.091 1.00 0.00 C ATOM 1368 CD LYS B 34 93.323 -8.058 36.567 1.00 0.00 C ATOM 1369 CE LYS B 34 92.968 -7.168 35.378 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.134 -5.742 35.768 1.00 0.00 N ATOM 0 H LYS B 34 94.045 -10.971 33.652 1.00 0.00 H new ATOM 0 HA LYS B 34 92.748 -12.002 35.967 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.289 -9.465 34.347 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.441 -9.800 35.844 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.747 -10.147 36.948 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.466 -9.535 35.471 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.515 -8.042 37.298 1.00 0.00 H new ATOM 0 HD3 LYS B 34 94.212 -7.674 37.067 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.610 -7.402 34.529 1.00 0.00 H new ATOM 0 HE3 LYS B 34 91.941 -7.354 35.063 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 92.893 -5.131 34.961 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.504 -5.525 36.567 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 94.121 -5.572 36.049 1.00 0.00 H new ATOM 1384 N GLU B 35 90.945 -11.997 33.225 1.00 0.00 N ATOM 1385 CA GLU B 35 89.651 -12.492 32.694 1.00 0.00 C ATOM 1386 C GLU B 35 89.472 -13.978 33.013 1.00 0.00 C ATOM 1387 O GLU B 35 88.390 -14.420 33.345 1.00 0.00 O ATOM 1388 CB GLU B 35 89.601 -12.304 31.177 1.00 0.00 C ATOM 1389 CG GLU B 35 88.171 -12.576 30.681 1.00 0.00 C ATOM 1390 CD GLU B 35 87.925 -14.093 30.600 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.893 -14.834 30.586 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.774 -14.486 30.551 1.00 0.00 O ATOM 0 H GLU B 35 91.600 -11.638 32.530 1.00 0.00 H new ATOM 0 HA GLU B 35 88.850 -11.922 33.166 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.903 -11.290 30.914 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.303 -12.982 30.691 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.449 -12.117 31.356 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.024 -12.122 29.701 1.00 0.00 H new ATOM 1399 N ILE B 36 90.518 -14.752 32.948 1.00 0.00 N ATOM 1400 CA ILE B 36 90.368 -16.200 33.240 1.00 0.00 C ATOM 1401 C ILE B 36 89.880 -16.350 34.686 1.00 0.00 C ATOM 1402 O ILE B 36 89.036 -17.182 34.979 1.00 0.00 O ATOM 1403 CB ILE B 36 91.721 -16.896 33.056 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.161 -16.784 31.581 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.572 -18.372 33.443 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.572 -17.355 31.399 1.00 0.00 C ATOM 0 H ILE B 36 91.461 -14.447 32.708 1.00 0.00 H new ATOM 0 HA ILE B 36 89.648 -16.658 32.562 1.00 0.00 H new ATOM 0 HB ILE B 36 92.473 -16.424 33.688 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.459 -17.322 30.944 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.141 -15.740 31.267 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.528 -18.880 33.317 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.257 -18.445 34.484 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.825 -18.842 32.804 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.867 -17.269 30.353 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.273 -16.798 32.021 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.580 -18.405 31.693 1.00 0.00 H new ATOM 1418 N VAL B 37 90.381 -15.553 35.581 1.00 0.00 N ATOM 1419 CA VAL B 37 89.924 -15.634 36.998 1.00 0.00 C ATOM 1420 C VAL B 37 88.427 -15.329 37.071 1.00 0.00 C ATOM 1421 O VAL B 37 87.688 -15.939 37.814 1.00 0.00 O ATOM 1422 CB VAL B 37 90.696 -14.622 37.852 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.116 -14.578 39.273 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.166 -15.036 37.917 1.00 0.00 C ATOM 0 H VAL B 37 91.091 -14.844 35.395 1.00 0.00 H new ATOM 0 HA VAL B 37 90.109 -16.639 37.378 1.00 0.00 H new ATOM 0 HB VAL B 37 90.608 -13.633 37.402 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.672 -13.856 39.871 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.068 -14.282 39.229 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.196 -15.565 39.729 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.719 -14.319 38.523 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.245 -16.027 38.364 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.583 -15.058 36.910 1.00 0.00 H new ATOM 1434 N ALA B 38 87.977 -14.390 36.297 1.00 0.00 N ATOM 1435 CA ALA B 38 86.533 -14.046 36.321 1.00 0.00 C ATOM 1436 C ALA B 38 85.715 -15.284 35.945 1.00 0.00 C ATOM 1437 O ALA B 38 84.646 -15.525 36.471 1.00 0.00 O ATOM 1438 CB ALA B 38 86.264 -12.930 35.310 1.00 0.00 C ATOM 0 H ALA B 38 88.545 -13.845 35.648 1.00 0.00 H new ATOM 0 HA ALA B 38 86.249 -13.710 37.318 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.205 -12.674 35.324 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.853 -12.051 35.573 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.542 -13.268 34.312 1.00 0.00 H new ATOM 1444 N SER B 39 86.220 -16.073 35.031 1.00 0.00 N ATOM 1445 CA SER B 39 85.492 -17.305 34.605 1.00 0.00 C ATOM 1446 C SER B 39 85.552 -18.360 35.710 1.00 0.00 C ATOM 1447 O SER B 39 84.676 -19.192 35.839 1.00 0.00 O ATOM 1448 CB SER B 39 86.153 -17.862 33.340 1.00 0.00 C ATOM 1449 OG SER B 39 86.156 -16.861 32.335 1.00 0.00 O ATOM 0 H SER B 39 87.110 -15.915 34.559 1.00 0.00 H new ATOM 0 HA SER B 39 84.449 -17.056 34.407 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.173 -18.178 33.558 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.614 -18.743 32.991 1.00 0.00 H new ATOM 0 HG SER B 39 86.580 -17.213 31.524 1.00 0.00 H new ATOM 1455 N CYS B 40 86.589 -18.343 36.502 1.00 0.00 N ATOM 1456 CA CYS B 40 86.718 -19.348 37.601 1.00 0.00 C ATOM 1457 C CYS B 40 85.942 -18.866 38.840 1.00 0.00 C ATOM 1458 O CYS B 40 86.369 -17.979 39.541 1.00 0.00 O ATOM 1459 CB CYS B 40 88.191 -19.515 37.953 1.00 0.00 C ATOM 1460 SG CYS B 40 88.335 -20.608 39.382 1.00 0.00 S ATOM 0 H CYS B 40 87.357 -17.675 36.437 1.00 0.00 H new ATOM 0 HA CYS B 40 86.308 -20.303 37.273 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.736 -19.930 37.105 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.637 -18.545 38.174 1.00 0.00 H new ATOM 0 HG CYS B 40 89.270 -20.169 40.171 1.00 0.00 H new ATOM 1465 N ASP B 41 84.799 -19.445 39.098 1.00 0.00 N ATOM 1466 CA ASP B 41 83.990 -19.023 40.279 1.00 0.00 C ATOM 1467 C ASP B 41 84.762 -19.226 41.587 1.00 0.00 C ATOM 1468 O ASP B 41 84.559 -18.515 42.549 1.00 0.00 O ATOM 1469 CB ASP B 41 82.693 -19.840 40.317 1.00 0.00 C ATOM 1470 CG ASP B 41 81.829 -19.445 39.120 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.247 -18.572 38.378 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.767 -20.018 38.963 1.00 0.00 O ATOM 0 H ASP B 41 84.390 -20.194 38.540 1.00 0.00 H new ATOM 0 HA ASP B 41 83.766 -17.961 40.181 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.917 -20.906 40.286 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.157 -19.654 41.248 1.00 0.00 H new ATOM 1477 N LYS B 42 85.627 -20.207 41.644 1.00 0.00 N ATOM 1478 CA LYS B 42 86.383 -20.454 42.912 1.00 0.00 C ATOM 1479 C LYS B 42 87.375 -19.315 43.187 1.00 0.00 C ATOM 1480 O LYS B 42 87.543 -18.888 44.309 1.00 0.00 O ATOM 1481 CB LYS B 42 87.136 -21.790 42.818 1.00 0.00 C ATOM 1482 CG LYS B 42 86.138 -22.953 42.721 1.00 0.00 C ATOM 1483 CD LYS B 42 86.898 -24.280 42.735 1.00 0.00 C ATOM 1484 CE LYS B 42 85.907 -25.434 42.604 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.213 -25.340 41.283 1.00 0.00 N ATOM 0 H LYS B 42 85.842 -20.843 40.876 1.00 0.00 H new ATOM 0 HA LYS B 42 85.670 -20.496 43.736 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.789 -21.787 41.945 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.773 -21.919 43.693 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.437 -22.915 43.554 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.551 -22.867 41.806 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.617 -24.309 41.916 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.465 -24.377 43.661 1.00 0.00 H new ATOM 0 HE2 LYS B 42 86.428 -26.388 42.687 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.179 -25.397 43.414 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.227 -26.270 40.817 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.228 -25.040 41.429 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.701 -24.645 40.683 1.00 0.00 H new ATOM 1499 N CYS B 43 88.042 -18.830 42.178 1.00 0.00 N ATOM 1500 CA CYS B 43 89.015 -17.717 42.383 1.00 0.00 C ATOM 1501 C CYS B 43 88.301 -16.362 42.268 1.00 0.00 C ATOM 1502 O CYS B 43 88.828 -15.334 42.652 1.00 0.00 O ATOM 1503 CB CYS B 43 90.103 -17.809 41.318 1.00 0.00 C ATOM 1504 SG CYS B 43 91.089 -19.308 41.579 1.00 0.00 S ATOM 0 H CYS B 43 87.956 -19.157 41.216 1.00 0.00 H new ATOM 0 HA CYS B 43 89.455 -17.800 43.377 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.653 -17.826 40.325 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.744 -16.928 41.362 1.00 0.00 H new ATOM 0 HG CYS B 43 92.136 -19.279 40.808 1.00 0.00 H new ATOM 1509 N GLN B 44 87.110 -16.347 41.737 1.00 0.00 N ATOM 1510 CA GLN B 44 86.376 -15.055 41.597 1.00 0.00 C ATOM 1511 C GLN B 44 85.920 -14.589 42.986 1.00 0.00 C ATOM 1512 O GLN B 44 86.408 -13.610 43.509 1.00 0.00 O ATOM 1513 CB GLN B 44 85.169 -15.242 40.677 1.00 0.00 C ATOM 1514 CG GLN B 44 84.541 -13.881 40.390 1.00 0.00 C ATOM 1515 CD GLN B 44 83.312 -14.064 39.507 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.193 -13.939 39.975 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.467 -14.352 38.247 1.00 0.00 N ATOM 0 H GLN B 44 86.613 -17.170 41.395 1.00 0.00 H new ATOM 0 HA GLN B 44 87.031 -14.302 41.159 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.477 -15.717 39.746 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.438 -15.901 41.145 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.262 -13.393 41.324 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.264 -13.232 39.895 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.405 -14.456 37.859 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.651 -14.474 37.648 1.00 0.00 H new