USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 LYS NZ :NH3+ 174:sc= 0.548! (180deg=0.464!) USER MOD Set 1.2: A 63 TYR OH : rot 33:sc= 0.65 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00168 USER MOD Single : A 7 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 8 LYS NZ :NH3+ -107:sc= -1.57 (180deg=-2.23!) USER MOD Single : A 14 THR OG1 : rot 79:sc= 0.936 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -25:sc= 0.166 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.55) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.166 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.56 USER MOD Single : A 33 GLN : amide:sc= -0.672 K(o=-0.67,f=-1.3!) USER MOD Single : A 34 HIS : no HE2:sc= 0.339 K(o=0.34,f=-1.3) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 137:sc= -8.18! (180deg=-12.5!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 69:sc= -2.41 USER MOD Single : A 62 GLN : amide:sc= -1.19 X(o=-1.2,f=-0.99) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -22:sc= -2.35! USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 4 16.202 -8.685 -1.135 1.00 1.00 N ATOM 16 CA SER A 4 16.392 -7.429 -0.418 1.00 1.00 C ATOM 17 C SER A 4 15.061 -6.928 0.129 1.00 1.00 C ATOM 18 O SER A 4 14.003 -7.197 -0.438 1.00 1.00 O ATOM 19 CB SER A 4 16.995 -6.379 -1.352 1.00 1.00 C ATOM 20 OG SER A 4 18.367 -6.681 -1.572 1.00 1.00 O ATOM 0 HA SER A 4 17.074 -7.602 0.414 1.00 1.00 H new ATOM 0 HB2 SER A 4 16.457 -6.366 -2.300 1.00 1.00 H new ATOM 0 HB3 SER A 4 16.895 -5.386 -0.915 1.00 1.00 H new ATOM 0 HG SER A 4 18.757 -6.011 -2.172 1.00 1.00 H new ATOM 26 N THR A 5 15.123 -6.207 1.242 1.00 1.00 N ATOM 27 CA THR A 5 13.916 -5.687 1.864 1.00 1.00 C ATOM 28 C THR A 5 13.207 -4.736 0.911 1.00 1.00 C ATOM 29 O THR A 5 11.983 -4.764 0.788 1.00 1.00 O ATOM 30 CB THR A 5 14.267 -4.938 3.154 1.00 1.00 C ATOM 31 OG1 THR A 5 15.197 -5.704 3.906 1.00 1.00 O ATOM 32 CG2 THR A 5 13.006 -4.730 3.990 1.00 1.00 C ATOM 0 H THR A 5 15.989 -5.972 1.727 1.00 1.00 H new ATOM 0 HA THR A 5 13.259 -6.524 2.099 1.00 1.00 H new ATOM 0 HB THR A 5 14.701 -3.971 2.899 1.00 1.00 H new ATOM 0 HG1 THR A 5 15.424 -5.226 4.731 1.00 1.00 H new ATOM 0 HG21 THR A 5 13.261 -4.197 4.906 1.00 1.00 H new ATOM 0 HG22 THR A 5 12.283 -4.146 3.420 1.00 1.00 H new ATOM 0 HG23 THR A 5 12.573 -5.698 4.242 1.00 1.00 H new ATOM 40 N LEU A 6 13.978 -3.876 0.251 1.00 1.00 N ATOM 41 CA LEU A 6 13.396 -2.917 -0.669 1.00 1.00 C ATOM 42 C LEU A 6 12.754 -3.629 -1.858 1.00 1.00 C ATOM 43 O LEU A 6 11.638 -3.306 -2.270 1.00 1.00 O ATOM 44 CB LEU A 6 14.495 -1.954 -1.170 1.00 1.00 C ATOM 45 CG LEU A 6 13.897 -0.569 -1.479 1.00 1.00 C ATOM 46 CD1 LEU A 6 12.714 -0.718 -2.440 1.00 1.00 C ATOM 47 CD2 LEU A 6 13.429 0.111 -0.167 1.00 1.00 C ATOM 0 H LEU A 6 14.993 -3.827 0.337 1.00 1.00 H new ATOM 0 HA LEU A 6 12.623 -2.354 -0.146 1.00 1.00 H new ATOM 0 HB2 LEU A 6 15.276 -1.860 -0.415 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.964 -2.362 -2.065 1.00 1.00 H new ATOM 0 HG LEU A 6 14.661 0.052 -1.946 1.00 1.00 H new ATOM 0 HD11 LEU A 6 12.294 0.265 -2.656 1.00 1.00 H new ATOM 0 HD12 LEU A 6 13.054 -1.179 -3.367 1.00 1.00 H new ATOM 0 HD13 LEU A 6 11.950 -1.346 -1.982 1.00 1.00 H new ATOM 0 HD21 LEU A 6 13.007 1.090 -0.395 1.00 1.00 H new ATOM 0 HD22 LEU A 6 12.671 -0.508 0.313 1.00 1.00 H new ATOM 0 HD23 LEU A 6 14.279 0.230 0.505 1.00 1.00 H new ATOM 59 N GLN A 7 13.469 -4.594 -2.412 1.00 1.00 N ATOM 60 CA GLN A 7 12.961 -5.321 -3.560 1.00 1.00 C ATOM 61 C GLN A 7 11.645 -5.999 -3.217 1.00 1.00 C ATOM 62 O GLN A 7 10.703 -5.993 -4.012 1.00 1.00 O ATOM 63 CB GLN A 7 13.989 -6.362 -4.015 1.00 1.00 C ATOM 64 CG GLN A 7 13.471 -7.111 -5.250 1.00 1.00 C ATOM 65 CD GLN A 7 13.203 -6.131 -6.386 1.00 1.00 C ATOM 66 OE1 GLN A 7 14.129 -5.503 -6.898 1.00 1.00 O ATOM 67 NE2 GLN A 7 11.979 -5.947 -6.797 1.00 1.00 N ATOM 0 H GLN A 7 14.391 -4.888 -2.090 1.00 1.00 H new ATOM 0 HA GLN A 7 12.786 -4.616 -4.373 1.00 1.00 H new ATOM 0 HB2 GLN A 7 14.935 -5.873 -4.247 1.00 1.00 H new ATOM 0 HB3 GLN A 7 14.185 -7.068 -3.208 1.00 1.00 H new ATOM 0 HG2 GLN A 7 14.202 -7.855 -5.567 1.00 1.00 H new ATOM 0 HG3 GLN A 7 12.556 -7.649 -5.001 1.00 1.00 H new ATOM 0 HE21 GLN A 7 11.214 -6.469 -6.370 1.00 1.00 H new ATOM 0 HE22 GLN A 7 11.787 -5.281 -7.545 1.00 1.00 H new ATOM 76 N LYS A 8 11.583 -6.579 -2.032 1.00 1.00 N ATOM 77 CA LYS A 8 10.376 -7.253 -1.597 1.00 1.00 C ATOM 78 C LYS A 8 9.233 -6.258 -1.444 1.00 1.00 C ATOM 79 O LYS A 8 8.102 -6.530 -1.850 1.00 1.00 O ATOM 80 CB LYS A 8 10.645 -7.960 -0.249 1.00 1.00 C ATOM 81 CG LYS A 8 11.011 -9.457 -0.458 1.00 1.00 C ATOM 82 CD LYS A 8 9.776 -10.340 -0.224 1.00 1.00 C ATOM 83 CE LYS A 8 8.780 -10.160 -1.373 1.00 1.00 C ATOM 84 NZ LYS A 8 9.466 -10.410 -2.673 1.00 1.00 N ATOM 0 H LYS A 8 12.349 -6.597 -1.359 1.00 1.00 H new ATOM 0 HA LYS A 8 10.090 -7.990 -2.347 1.00 1.00 H new ATOM 0 HB2 LYS A 8 11.457 -7.455 0.273 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.762 -7.885 0.386 1.00 1.00 H new ATOM 0 HG2 LYS A 8 11.390 -9.609 -1.469 1.00 1.00 H new ATOM 0 HG3 LYS A 8 11.808 -9.744 0.228 1.00 1.00 H new ATOM 0 HD2 LYS A 8 10.075 -11.386 -0.151 1.00 1.00 H new ATOM 0 HD3 LYS A 8 9.304 -10.076 0.722 1.00 1.00 H new ATOM 0 HE2 LYS A 8 7.943 -10.848 -1.254 1.00 1.00 H new ATOM 0 HE3 LYS A 8 8.368 -9.151 -1.356 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 9.608 -9.507 -3.170 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 10.388 -10.858 -2.498 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 8.881 -11.039 -3.259 1.00 1.00 H new ATOM 98 N ALA A 9 9.528 -5.115 -0.844 1.00 1.00 N ATOM 99 CA ALA A 9 8.504 -4.109 -0.633 1.00 1.00 C ATOM 100 C ALA A 9 7.879 -3.701 -1.967 1.00 1.00 C ATOM 101 O ALA A 9 6.655 -3.619 -2.094 1.00 1.00 O ATOM 102 CB ALA A 9 9.118 -2.881 0.064 1.00 1.00 C ATOM 0 H ALA A 9 10.455 -4.865 -0.500 1.00 1.00 H new ATOM 0 HA ALA A 9 7.722 -4.526 0.002 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.346 -2.128 0.221 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.535 -3.179 1.026 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.909 -2.466 -0.561 1.00 1.00 H new ATOM 108 N ILE A 10 8.731 -3.455 -2.957 1.00 1.00 N ATOM 109 CA ILE A 10 8.262 -3.063 -4.278 1.00 1.00 C ATOM 110 C ILE A 10 7.428 -4.198 -4.886 1.00 1.00 C ATOM 111 O ILE A 10 6.415 -3.982 -5.530 1.00 1.00 O ATOM 112 CB ILE A 10 9.449 -2.730 -5.185 1.00 1.00 C ATOM 113 CG1 ILE A 10 10.151 -1.469 -4.673 1.00 1.00 C ATOM 114 CG2 ILE A 10 8.948 -2.480 -6.609 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.473 -1.284 -5.424 1.00 1.00 C ATOM 0 H ILE A 10 9.745 -3.520 -2.869 1.00 1.00 H new ATOM 0 HA ILE A 10 7.639 -2.173 -4.187 1.00 1.00 H new ATOM 0 HB ILE A 10 10.149 -3.565 -5.181 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.512 -0.598 -4.819 1.00 1.00 H new ATOM 0 HG13 ILE A 10 10.337 -1.552 -3.602 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.793 -2.243 -7.256 1.00 1.00 H new ATOM 0 HG22 ILE A 10 8.447 -3.374 -6.980 1.00 1.00 H new ATOM 0 HG23 ILE A 10 8.247 -1.645 -6.607 1.00 1.00 H new ATOM 0 HD11 ILE A 10 11.975 -0.387 -5.062 1.00 1.00 H new ATOM 0 HD12 ILE A 10 12.112 -2.151 -5.255 1.00 1.00 H new ATOM 0 HD13 ILE A 10 11.274 -1.182 -6.491 1.00 1.00 H new ATOM 127 N ASP A 11 7.884 -5.413 -4.728 1.00 1.00 N ATOM 128 CA ASP A 11 7.162 -6.535 -5.302 1.00 1.00 C ATOM 129 C ASP A 11 5.739 -6.600 -4.748 1.00 1.00 C ATOM 130 O ASP A 11 4.769 -6.751 -5.503 1.00 1.00 O ATOM 131 CB ASP A 11 7.900 -7.824 -4.967 1.00 1.00 C ATOM 132 CG ASP A 11 7.400 -8.966 -5.845 1.00 1.00 C ATOM 133 OD1 ASP A 11 7.542 -8.865 -7.052 1.00 1.00 O ATOM 134 OD2 ASP A 11 6.883 -9.925 -5.296 1.00 1.00 O ATOM 0 H ASP A 11 8.734 -5.656 -4.219 1.00 1.00 H new ATOM 0 HA ASP A 11 7.106 -6.406 -6.383 1.00 1.00 H new ATOM 0 HB2 ASP A 11 8.971 -7.686 -5.114 1.00 1.00 H new ATOM 0 HB3 ASP A 11 7.752 -8.073 -3.916 1.00 1.00 H new ATOM 139 N LEU A 12 5.622 -6.508 -3.426 1.00 1.00 N ATOM 140 CA LEU A 12 4.324 -6.586 -2.771 1.00 1.00 C ATOM 141 C LEU A 12 3.424 -5.432 -3.188 1.00 1.00 C ATOM 142 O LEU A 12 2.235 -5.622 -3.453 1.00 1.00 O ATOM 143 CB LEU A 12 4.526 -6.522 -1.254 1.00 1.00 C ATOM 144 CG LEU A 12 5.346 -7.725 -0.773 1.00 1.00 C ATOM 145 CD1 LEU A 12 5.908 -7.438 0.624 1.00 1.00 C ATOM 146 CD2 LEU A 12 4.479 -8.990 -0.731 1.00 1.00 C ATOM 0 H LEU A 12 6.409 -6.380 -2.791 1.00 1.00 H new ATOM 0 HA LEU A 12 3.850 -7.523 -3.063 1.00 1.00 H new ATOM 0 HB2 LEU A 12 5.036 -5.596 -0.987 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.559 -6.509 -0.752 1.00 1.00 H new ATOM 0 HG LEU A 12 6.166 -7.890 -1.472 1.00 1.00 H new ATOM 0 HD11 LEU A 12 6.491 -8.294 0.965 1.00 1.00 H new ATOM 0 HD12 LEU A 12 6.547 -6.556 0.585 1.00 1.00 H new ATOM 0 HD13 LEU A 12 5.086 -7.260 1.317 1.00 1.00 H new ATOM 0 HD21 LEU A 12 5.080 -9.832 -0.387 1.00 1.00 H new ATOM 0 HD22 LEU A 12 3.644 -8.837 -0.047 1.00 1.00 H new ATOM 0 HD23 LEU A 12 4.096 -9.202 -1.729 1.00 1.00 H new ATOM 158 N VAL A 13 3.993 -4.234 -3.246 1.00 1.00 N ATOM 159 CA VAL A 13 3.218 -3.065 -3.630 1.00 1.00 C ATOM 160 C VAL A 13 2.778 -3.167 -5.090 1.00 1.00 C ATOM 161 O VAL A 13 1.657 -2.792 -5.444 1.00 1.00 O ATOM 162 CB VAL A 13 4.042 -1.780 -3.397 1.00 1.00 C ATOM 163 CG1 VAL A 13 4.957 -1.516 -4.581 1.00 1.00 C ATOM 164 CG2 VAL A 13 3.111 -0.582 -3.222 1.00 1.00 C ATOM 0 H VAL A 13 4.974 -4.049 -3.035 1.00 1.00 H new ATOM 0 HA VAL A 13 2.323 -3.021 -3.009 1.00 1.00 H new ATOM 0 HB VAL A 13 4.640 -1.919 -2.496 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.531 -0.607 -4.402 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.639 -2.357 -4.708 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.358 -1.395 -5.484 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.703 0.318 -3.058 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.504 -0.459 -4.119 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.460 -0.749 -2.364 1.00 1.00 H new ATOM 174 N THR A 14 3.674 -3.663 -5.939 1.00 1.00 N ATOM 175 CA THR A 14 3.370 -3.786 -7.359 1.00 1.00 C ATOM 176 C THR A 14 2.119 -4.641 -7.536 1.00 1.00 C ATOM 177 O THR A 14 1.154 -4.249 -8.203 1.00 1.00 O ATOM 178 CB THR A 14 4.560 -4.431 -8.085 1.00 1.00 C ATOM 179 OG1 THR A 14 5.633 -3.500 -8.156 1.00 1.00 O ATOM 180 CG2 THR A 14 4.150 -4.848 -9.499 1.00 1.00 C ATOM 0 H THR A 14 4.605 -3.982 -5.672 1.00 1.00 H new ATOM 0 HA THR A 14 3.190 -2.799 -7.784 1.00 1.00 H new ATOM 0 HB THR A 14 4.878 -5.315 -7.532 1.00 1.00 H new ATOM 0 HG1 THR A 14 6.103 -3.476 -7.296 1.00 1.00 H new ATOM 0 HG21 THR A 14 5.001 -5.304 -10.005 1.00 1.00 H new ATOM 0 HG22 THR A 14 3.333 -5.567 -9.444 1.00 1.00 H new ATOM 0 HG23 THR A 14 3.824 -3.970 -10.057 1.00 1.00 H new ATOM 188 N LYS A 15 2.132 -5.808 -6.920 1.00 1.00 N ATOM 189 CA LYS A 15 0.983 -6.683 -7.017 1.00 1.00 C ATOM 190 C LYS A 15 -0.230 -5.975 -6.424 1.00 1.00 C ATOM 191 O LYS A 15 -1.327 -6.056 -6.953 1.00 1.00 O ATOM 192 CB LYS A 15 1.260 -7.988 -6.287 1.00 1.00 C ATOM 193 CG LYS A 15 0.126 -8.995 -6.546 1.00 1.00 C ATOM 194 CD LYS A 15 0.626 -10.410 -6.233 1.00 1.00 C ATOM 195 CE LYS A 15 1.329 -10.420 -4.872 1.00 1.00 C ATOM 196 NZ LYS A 15 1.386 -11.820 -4.363 1.00 1.00 N ATOM 0 H LYS A 15 2.906 -6.165 -6.360 1.00 1.00 H new ATOM 0 HA LYS A 15 0.782 -6.918 -8.062 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.210 -8.405 -6.622 1.00 1.00 H new ATOM 0 HB3 LYS A 15 1.353 -7.802 -5.217 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -0.737 -8.756 -5.925 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -0.201 -8.933 -7.584 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -0.211 -11.109 -6.226 1.00 1.00 H new ATOM 0 HD3 LYS A 15 1.313 -10.744 -7.011 1.00 1.00 H new ATOM 0 HE2 LYS A 15 2.336 -10.013 -4.966 1.00 1.00 H new ATOM 0 HE3 LYS A 15 0.793 -9.785 -4.167 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 1.862 -11.834 -3.439 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 0.420 -12.192 -4.260 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 1.915 -12.412 -5.034 1.00 1.00 H new ATOM 210 N ALA A 16 -0.035 -5.280 -5.318 1.00 1.00 N ATOM 211 CA ALA A 16 -1.139 -4.576 -4.688 1.00 1.00 C ATOM 212 C ALA A 16 -1.858 -3.686 -5.694 1.00 1.00 C ATOM 213 O ALA A 16 -3.089 -3.633 -5.727 1.00 1.00 O ATOM 214 CB ALA A 16 -0.600 -3.709 -3.546 1.00 1.00 C ATOM 0 H ALA A 16 0.863 -5.188 -4.843 1.00 1.00 H new ATOM 0 HA ALA A 16 -1.846 -5.311 -4.303 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.425 -3.179 -3.071 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -0.104 -4.343 -2.811 1.00 1.00 H new ATOM 0 HB3 ALA A 16 0.114 -2.987 -3.943 1.00 1.00 H new ATOM 220 N THR A 17 -1.082 -2.971 -6.497 1.00 1.00 N ATOM 221 CA THR A 17 -1.659 -2.073 -7.480 1.00 1.00 C ATOM 222 C THR A 17 -2.449 -2.846 -8.523 1.00 1.00 C ATOM 223 O THR A 17 -3.543 -2.437 -8.916 1.00 1.00 O ATOM 224 CB THR A 17 -0.554 -1.258 -8.174 1.00 1.00 C ATOM 225 OG1 THR A 17 0.410 -2.140 -8.732 1.00 1.00 O ATOM 226 CG2 THR A 17 0.143 -0.336 -7.167 1.00 1.00 C ATOM 0 H THR A 17 -0.062 -2.996 -6.486 1.00 1.00 H new ATOM 0 HA THR A 17 -2.335 -1.395 -6.958 1.00 1.00 H new ATOM 0 HB THR A 17 -1.010 -0.655 -8.959 1.00 1.00 H new ATOM 0 HG1 THR A 17 0.404 -2.986 -8.237 1.00 1.00 H new ATOM 0 HG21 THR A 17 0.922 0.234 -7.674 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.586 0.350 -6.737 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.590 -0.935 -6.374 1.00 1.00 H new ATOM 234 N GLU A 18 -1.911 -3.978 -8.958 1.00 1.00 N ATOM 235 CA GLU A 18 -2.612 -4.783 -9.955 1.00 1.00 C ATOM 236 C GLU A 18 -3.957 -5.265 -9.398 1.00 1.00 C ATOM 237 O GLU A 18 -4.969 -5.293 -10.100 1.00 1.00 O ATOM 238 CB GLU A 18 -1.716 -5.975 -10.390 1.00 1.00 C ATOM 239 CG GLU A 18 -2.144 -7.281 -9.712 1.00 1.00 C ATOM 240 CD GLU A 18 -1.185 -8.412 -10.040 1.00 1.00 C ATOM 241 OE1 GLU A 18 0.008 -8.172 -10.030 1.00 1.00 O ATOM 242 OE2 GLU A 18 -1.661 -9.509 -10.290 1.00 1.00 O ATOM 0 H GLU A 18 -1.015 -4.354 -8.648 1.00 1.00 H new ATOM 0 HA GLU A 18 -2.818 -4.173 -10.835 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.767 -6.093 -11.472 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.677 -5.759 -10.141 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.184 -7.137 -8.632 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -3.150 -7.549 -10.035 1.00 1.00 H new ATOM 249 N GLU A 19 -3.953 -5.662 -8.130 1.00 1.00 N ATOM 250 CA GLU A 19 -5.158 -6.154 -7.493 1.00 1.00 C ATOM 251 C GLU A 19 -6.183 -5.038 -7.400 1.00 1.00 C ATOM 252 O GLU A 19 -7.372 -5.251 -7.612 1.00 1.00 O ATOM 253 CB GLU A 19 -4.825 -6.687 -6.096 1.00 1.00 C ATOM 254 CG GLU A 19 -4.078 -8.025 -6.202 1.00 1.00 C ATOM 255 CD GLU A 19 -4.990 -9.098 -6.791 1.00 1.00 C ATOM 256 OE1 GLU A 19 -6.195 -8.931 -6.713 1.00 1.00 O ATOM 257 OE2 GLU A 19 -4.468 -10.070 -7.306 1.00 1.00 O ATOM 0 H GLU A 19 -3.129 -5.651 -7.529 1.00 1.00 H new ATOM 0 HA GLU A 19 -5.575 -6.966 -8.089 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.213 -5.962 -5.559 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -5.742 -6.819 -5.521 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -3.194 -7.907 -6.828 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -3.731 -8.334 -5.216 1.00 1.00 H new ATOM 264 N ASP A 20 -5.709 -3.839 -7.107 1.00 1.00 N ATOM 265 CA ASP A 20 -6.599 -2.698 -7.011 1.00 1.00 C ATOM 266 C ASP A 20 -7.309 -2.479 -8.344 1.00 1.00 C ATOM 267 O ASP A 20 -8.499 -2.165 -8.381 1.00 1.00 O ATOM 268 CB ASP A 20 -5.801 -1.449 -6.639 1.00 1.00 C ATOM 269 CG ASP A 20 -6.749 -0.340 -6.190 1.00 1.00 C ATOM 270 OD1 ASP A 20 -7.531 -0.586 -5.289 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.681 0.738 -6.758 1.00 1.00 O ATOM 0 H ASP A 20 -4.725 -3.633 -6.934 1.00 1.00 H new ATOM 0 HA ASP A 20 -7.343 -2.891 -6.238 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -5.096 -1.682 -5.841 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.215 -1.114 -7.494 1.00 1.00 H new ATOM 276 N LYS A 21 -6.575 -2.664 -9.439 1.00 1.00 N ATOM 277 CA LYS A 21 -7.158 -2.498 -10.760 1.00 1.00 C ATOM 278 C LYS A 21 -8.211 -3.573 -11.000 1.00 1.00 C ATOM 279 O LYS A 21 -9.265 -3.311 -11.580 1.00 1.00 O ATOM 280 CB LYS A 21 -6.073 -2.608 -11.830 1.00 1.00 C ATOM 281 CG LYS A 21 -5.035 -1.502 -11.620 1.00 1.00 C ATOM 282 CD LYS A 21 -3.848 -1.703 -12.580 1.00 1.00 C ATOM 283 CE LYS A 21 -2.592 -1.059 -11.990 1.00 1.00 C ATOM 284 NZ LYS A 21 -1.575 -0.879 -13.060 1.00 1.00 N ATOM 0 H LYS A 21 -5.589 -2.925 -9.435 1.00 1.00 H new ATOM 0 HA LYS A 21 -7.622 -1.513 -10.816 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -5.594 -3.586 -11.778 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -6.516 -2.522 -12.822 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -5.491 -0.527 -11.792 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -4.684 -1.513 -10.588 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -3.679 -2.767 -12.747 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -4.074 -1.260 -13.550 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -2.840 -0.096 -11.544 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -2.190 -1.685 -11.193 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -0.722 -0.441 -12.658 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -1.331 -1.805 -13.466 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -1.961 -0.265 -13.806 1.00 1.00 H new ATOM 298 N ALA A 22 -7.909 -4.792 -10.550 1.00 1.00 N ATOM 299 CA ALA A 22 -8.832 -5.907 -10.720 1.00 1.00 C ATOM 300 C ALA A 22 -10.000 -5.787 -9.765 1.00 1.00 C ATOM 301 O ALA A 22 -10.790 -6.719 -9.619 1.00 1.00 O ATOM 302 CB ALA A 22 -8.105 -7.235 -10.490 1.00 1.00 C ATOM 0 H ALA A 22 -7.040 -5.028 -10.070 1.00 1.00 H new ATOM 0 HA ALA A 22 -9.214 -5.881 -11.740 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -8.805 -8.060 -10.620 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -7.291 -7.333 -11.208 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -7.701 -7.258 -9.478 1.00 1.00 H new ATOM 308 N LYS A 23 -10.100 -4.633 -9.109 1.00 1.00 N ATOM 309 CA LYS A 23 -11.170 -4.376 -8.151 1.00 1.00 C ATOM 310 C LYS A 23 -11.030 -5.278 -6.935 1.00 1.00 C ATOM 311 O LYS A 23 -12.020 -5.604 -6.278 1.00 1.00 O ATOM 312 CB LYS A 23 -12.540 -4.606 -8.806 1.00 1.00 C ATOM 313 CG LYS A 23 -12.600 -3.857 -10.140 1.00 1.00 C ATOM 314 CD LYS A 23 -12.490 -2.350 -9.896 1.00 1.00 C ATOM 315 CE LYS A 23 -12.940 -1.592 -11.140 1.00 1.00 C ATOM 316 NZ LYS A 23 -12.850 -0.128 -10.880 1.00 1.00 N ATOM 0 H LYS A 23 -9.448 -3.857 -9.225 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.095 -3.337 -7.831 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -12.704 -5.672 -8.967 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -13.334 -4.258 -8.145 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -11.791 -4.189 -10.790 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -13.535 -4.084 -10.653 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -13.105 -2.065 -9.043 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -11.461 -2.086 -9.650 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -12.315 -1.862 -11.991 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -13.963 -1.866 -11.397 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -13.156 0.394 -11.726 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -13.464 0.121 -10.078 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -11.867 0.125 -10.654 1.00 1.00 H new ATOM 330 N ASN A 24 -9.801 -5.667 -6.629 1.00 1.00 N ATOM 331 CA ASN A 24 -9.540 -6.523 -5.473 1.00 1.00 C ATOM 332 C ASN A 24 -9.048 -5.673 -4.296 1.00 1.00 C ATOM 333 O ASN A 24 -7.889 -5.736 -3.906 1.00 1.00 O ATOM 334 CB ASN A 24 -8.489 -7.593 -5.852 1.00 1.00 C ATOM 335 CG ASN A 24 -9.136 -8.957 -6.056 1.00 1.00 C ATOM 336 OD1 ASN A 24 -10.280 -9.048 -6.492 1.00 1.00 O ATOM 337 ND2 ASN A 24 -8.459 -10.020 -5.742 1.00 1.00 N ATOM 0 H ASN A 24 -8.970 -5.407 -7.160 1.00 1.00 H new ATOM 0 HA ASN A 24 -10.460 -7.025 -5.173 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -7.974 -7.293 -6.764 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -7.735 -7.659 -5.067 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -8.877 -10.943 -5.857 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.509 -9.932 -5.381 1.00 1.00 H new ATOM 344 N TYR A 25 -9.938 -4.871 -3.745 1.00 1.00 N ATOM 345 CA TYR A 25 -9.579 -4.014 -2.624 1.00 1.00 C ATOM 346 C TYR A 25 -9.071 -4.848 -1.454 1.00 1.00 C ATOM 347 O TYR A 25 -8.114 -4.469 -0.789 1.00 1.00 O ATOM 348 CB TYR A 25 -10.790 -3.208 -2.185 1.00 1.00 C ATOM 349 CG TYR A 25 -11.560 -2.739 -3.402 1.00 1.00 C ATOM 350 CD1 TYR A 25 -10.890 -2.155 -4.483 1.00 1.00 C ATOM 351 CD2 TYR A 25 -12.960 -2.891 -3.445 1.00 1.00 C ATOM 352 CE1 TYR A 25 -11.600 -1.730 -5.605 1.00 1.00 C ATOM 353 CE2 TYR A 25 -13.670 -2.461 -4.571 1.00 1.00 C ATOM 354 CZ TYR A 25 -12.990 -1.883 -5.651 1.00 1.00 C ATOM 355 OH TYR A 25 -13.690 -1.458 -6.760 1.00 1.00 O ATOM 0 H TYR A 25 -10.908 -4.792 -4.050 1.00 1.00 H new ATOM 0 HA TYR A 25 -8.786 -3.338 -2.944 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -11.432 -3.816 -1.549 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.473 -2.351 -1.591 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -9.817 -2.033 -4.448 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -13.483 -3.338 -2.612 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.078 -1.283 -6.438 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -14.743 -2.575 -4.608 1.00 1.00 H new ATOM 0 HH TYR A 25 -14.645 -1.638 -6.633 1.00 1.00 H new ATOM 365 N GLU A 26 -9.714 -5.980 -1.201 1.00 1.00 N ATOM 366 CA GLU A 26 -9.295 -6.837 -0.097 1.00 1.00 C ATOM 367 C GLU A 26 -7.862 -7.330 -0.292 1.00 1.00 C ATOM 368 O GLU A 26 -7.008 -7.170 0.591 1.00 1.00 O ATOM 369 CB GLU A 26 -10.240 -8.043 -0.004 1.00 1.00 C ATOM 370 CG GLU A 26 -11.520 -7.638 0.708 1.00 1.00 C ATOM 371 CD GLU A 26 -12.500 -8.811 0.739 1.00 1.00 C ATOM 372 OE1 GLU A 26 -12.120 -9.881 0.283 1.00 1.00 O ATOM 373 OE2 GLU A 26 -13.600 -8.625 1.214 1.00 1.00 O ATOM 0 H GLU A 26 -10.514 -6.323 -1.733 1.00 1.00 H new ATOM 0 HA GLU A 26 -9.334 -6.255 0.824 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -10.470 -8.415 -1.003 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -9.755 -8.857 0.535 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -11.293 -7.317 1.725 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -11.975 -6.788 0.199 1.00 1.00 H new ATOM 380 N GLU A 27 -7.598 -7.921 -1.452 1.00 1.00 N ATOM 381 CA GLU A 27 -6.264 -8.431 -1.731 1.00 1.00 C ATOM 382 C GLU A 27 -5.267 -7.277 -1.820 1.00 1.00 C ATOM 383 O GLU A 27 -4.179 -7.337 -1.250 1.00 1.00 O ATOM 384 CB GLU A 27 -6.266 -9.220 -3.054 1.00 1.00 C ATOM 385 CG GLU A 27 -5.146 -10.260 -3.055 1.00 1.00 C ATOM 386 CD GLU A 27 -5.529 -11.440 -2.171 1.00 1.00 C ATOM 387 OE1 GLU A 27 -6.656 -11.460 -1.703 1.00 1.00 O ATOM 388 OE2 GLU A 27 -4.690 -12.300 -1.976 1.00 1.00 O ATOM 0 H GLU A 27 -8.277 -8.057 -2.201 1.00 1.00 H new ATOM 0 HA GLU A 27 -5.967 -9.095 -0.919 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -7.229 -9.713 -3.190 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -6.137 -8.536 -3.893 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -4.958 -10.603 -4.072 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -4.221 -9.810 -2.695 1.00 1.00 H new ATOM 395 N ALA A 28 -5.655 -6.225 -2.535 1.00 1.00 N ATOM 396 CA ALA A 28 -4.797 -5.066 -2.693 1.00 1.00 C ATOM 397 C ALA A 28 -4.456 -4.470 -1.336 1.00 1.00 C ATOM 398 O ALA A 28 -3.307 -4.131 -1.084 1.00 1.00 O ATOM 399 CB ALA A 28 -5.494 -4.016 -3.559 1.00 1.00 C ATOM 0 H ALA A 28 -6.555 -6.156 -3.010 1.00 1.00 H new ATOM 0 HA ALA A 28 -3.874 -5.380 -3.181 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -4.844 -3.149 -3.673 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -5.710 -4.439 -4.540 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -6.425 -3.711 -3.082 1.00 1.00 H new ATOM 405 N LEU A 29 -5.453 -4.352 -0.460 1.00 1.00 N ATOM 406 CA LEU A 29 -5.227 -3.786 0.856 1.00 1.00 C ATOM 407 C LEU A 29 -4.196 -4.587 1.624 1.00 1.00 C ATOM 408 O LEU A 29 -3.294 -4.018 2.242 1.00 1.00 O ATOM 409 CB LEU A 29 -6.551 -3.799 1.640 1.00 1.00 C ATOM 410 CG LEU A 29 -6.337 -3.391 3.111 1.00 1.00 C ATOM 411 CD1 LEU A 29 -5.992 -1.923 3.212 1.00 1.00 C ATOM 412 CD2 LEU A 29 -7.596 -3.669 3.917 1.00 1.00 C ATOM 0 H LEU A 29 -6.415 -4.640 -0.641 1.00 1.00 H new ATOM 0 HA LEU A 29 -4.858 -2.767 0.736 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -7.260 -3.117 1.171 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -6.991 -4.795 1.597 1.00 1.00 H new ATOM 0 HG LEU A 29 -5.510 -3.978 3.511 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -5.845 -1.655 4.258 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -5.076 -1.725 2.655 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -6.806 -1.329 2.796 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -7.435 -3.378 4.955 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -8.426 -3.096 3.504 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -7.830 -4.733 3.871 1.00 1.00 H new ATOM 424 N ARG A 30 -4.331 -5.902 1.595 1.00 1.00 N ATOM 425 CA ARG A 30 -3.390 -6.739 2.321 1.00 1.00 C ATOM 426 C ARG A 30 -1.969 -6.514 1.811 1.00 1.00 C ATOM 427 O ARG A 30 -1.022 -6.389 2.596 1.00 1.00 O ATOM 428 CB ARG A 30 -3.783 -8.203 2.146 1.00 1.00 C ATOM 429 CG ARG A 30 -5.021 -8.516 2.990 1.00 1.00 C ATOM 430 CD ARG A 30 -5.434 -9.974 2.769 1.00 1.00 C ATOM 431 NE ARG A 30 -6.599 -10.290 3.583 1.00 1.00 N ATOM 432 CZ ARG A 30 -7.025 -11.550 3.709 1.00 1.00 C ATOM 433 NH1 ARG A 30 -6.403 -12.510 3.091 1.00 1.00 N ATOM 434 NH2 ARG A 30 -8.068 -11.810 4.449 1.00 1.00 N ATOM 0 H ARG A 30 -5.062 -6.403 1.091 1.00 1.00 H new ATOM 0 HA ARG A 30 -3.419 -6.476 3.378 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -3.987 -8.411 1.096 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -2.957 -8.848 2.444 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -4.808 -8.343 4.045 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -5.839 -7.850 2.716 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -5.660 -10.141 1.716 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -4.609 -10.638 3.027 1.00 1.00 H new ATOM 0 HE ARG A 30 -7.096 -9.540 4.063 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -5.591 -12.301 2.511 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -6.727 -13.472 3.187 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -8.555 -11.053 4.929 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -8.397 -12.771 4.548 1.00 1.00 H new ATOM 448 N LEU A 31 -1.827 -6.462 0.495 1.00 1.00 N ATOM 449 CA LEU A 31 -0.519 -6.255 -0.108 1.00 1.00 C ATOM 450 C LEU A 31 0.013 -4.865 0.219 1.00 1.00 C ATOM 451 O LEU A 31 1.209 -4.691 0.462 1.00 1.00 O ATOM 452 CB LEU A 31 -0.613 -6.434 -1.620 1.00 1.00 C ATOM 453 CG LEU A 31 -1.103 -7.851 -1.938 1.00 1.00 C ATOM 454 CD1 LEU A 31 -1.444 -7.938 -3.425 1.00 1.00 C ATOM 455 CD2 LEU A 31 -0.026 -8.890 -1.593 1.00 1.00 C ATOM 0 H LEU A 31 -2.594 -6.559 -0.171 1.00 1.00 H new ATOM 0 HA LEU A 31 0.172 -6.992 0.301 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.297 -5.698 -2.042 1.00 1.00 H new ATOM 0 HB3 LEU A 31 0.361 -6.263 -2.078 1.00 1.00 H new ATOM 0 HG LEU A 31 -1.988 -8.063 -1.338 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -1.794 -8.943 -3.660 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -2.227 -7.217 -3.662 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -0.555 -7.716 -4.016 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -0.396 -9.888 -1.827 1.00 1.00 H new ATOM 0 HD22 LEU A 31 0.873 -8.690 -2.176 1.00 1.00 H new ATOM 0 HD23 LEU A 31 0.210 -8.830 -0.531 1.00 1.00 H new ATOM 467 N TYR A 32 -0.874 -3.874 0.216 1.00 1.00 N ATOM 468 CA TYR A 32 -0.463 -2.505 0.507 1.00 1.00 C ATOM 469 C TYR A 32 0.160 -2.412 1.897 1.00 1.00 C ATOM 470 O TYR A 32 1.234 -1.825 2.072 1.00 1.00 O ATOM 471 CB TYR A 32 -1.689 -1.564 0.427 1.00 1.00 C ATOM 472 CG TYR A 32 -1.879 -1.058 -0.989 1.00 1.00 C ATOM 473 CD1 TYR A 32 -0.867 -0.302 -1.600 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.057 -1.348 -1.694 1.00 1.00 C ATOM 475 CE1 TYR A 32 -1.033 0.163 -2.908 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.215 -0.886 -3.006 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.205 -0.133 -3.609 1.00 1.00 C ATOM 478 OH TYR A 32 -2.360 0.312 -4.901 1.00 1.00 O ATOM 0 H TYR A 32 -1.868 -3.990 0.018 1.00 1.00 H new ATOM 0 HA TYR A 32 0.281 -2.204 -0.230 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.584 -2.094 0.753 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.553 -0.722 1.105 1.00 1.00 H new ATOM 0 HD1 TYR A 32 0.041 -0.079 -1.059 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -3.840 -1.926 -1.226 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.257 0.750 -3.376 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.119 -1.112 -3.552 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.230 0.020 -5.245 1.00 1.00 H new ATOM 488 N GLN A 33 -0.517 -2.986 2.878 1.00 1.00 N ATOM 489 CA GLN A 33 -0.021 -2.951 4.243 1.00 1.00 C ATOM 490 C GLN A 33 1.306 -3.696 4.350 1.00 1.00 C ATOM 491 O GLN A 33 2.236 -3.247 5.030 1.00 1.00 O ATOM 492 CB GLN A 33 -1.053 -3.589 5.179 1.00 1.00 C ATOM 493 CG GLN A 33 -2.316 -2.724 5.224 1.00 1.00 C ATOM 494 CD GLN A 33 -3.342 -3.347 6.167 1.00 1.00 C ATOM 495 OE1 GLN A 33 -3.059 -4.355 6.814 1.00 1.00 O ATOM 496 NE2 GLN A 33 -4.521 -2.802 6.285 1.00 1.00 N ATOM 0 H GLN A 33 -1.403 -3.477 2.757 1.00 1.00 H new ATOM 0 HA GLN A 33 0.141 -1.913 4.532 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -1.300 -4.592 4.833 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -0.635 -3.691 6.181 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -2.066 -1.718 5.559 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -2.739 -2.631 4.224 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -4.753 -1.967 5.748 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -5.211 -3.211 6.915 1.00 1.00 H new ATOM 505 N HIS A 34 1.393 -4.833 3.672 1.00 1.00 N ATOM 506 CA HIS A 34 2.620 -5.624 3.703 1.00 1.00 C ATOM 507 C HIS A 34 3.773 -4.848 3.062 1.00 1.00 C ATOM 508 O HIS A 34 4.854 -4.729 3.637 1.00 1.00 O ATOM 509 CB HIS A 34 2.387 -6.949 2.949 1.00 1.00 C ATOM 510 CG HIS A 34 1.858 -7.991 3.894 1.00 1.00 C ATOM 511 ND1 HIS A 34 0.564 -8.475 3.815 1.00 1.00 N ATOM 512 CD2 HIS A 34 2.440 -8.641 4.950 1.00 1.00 C ATOM 513 CE1 HIS A 34 0.409 -9.377 4.801 1.00 1.00 C ATOM 514 NE2 HIS A 34 1.524 -9.516 5.524 1.00 1.00 N ATOM 0 H HIS A 34 0.643 -5.225 3.102 1.00 1.00 H new ATOM 0 HA HIS A 34 2.885 -5.835 4.739 1.00 1.00 H new ATOM 0 HB2 HIS A 34 1.681 -6.794 2.133 1.00 1.00 H new ATOM 0 HB3 HIS A 34 3.320 -7.292 2.502 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -0.143 -8.198 3.134 1.00 1.00 H new ATOM 0 HD2 HIS A 34 3.456 -8.496 5.286 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -0.505 -9.922 4.986 1.00 1.00 H new ATOM 523 N ALA A 35 3.530 -4.316 1.874 1.00 1.00 N ATOM 524 CA ALA A 35 4.551 -3.557 1.166 1.00 1.00 C ATOM 525 C ALA A 35 5.122 -2.471 2.075 1.00 1.00 C ATOM 526 O ALA A 35 6.339 -2.327 2.196 1.00 1.00 O ATOM 527 CB ALA A 35 3.939 -2.909 -0.092 1.00 1.00 C ATOM 0 H ALA A 35 2.640 -4.395 1.382 1.00 1.00 H new ATOM 0 HA ALA A 35 5.354 -4.233 0.872 1.00 1.00 H new ATOM 0 HB1 ALA A 35 4.706 -2.342 -0.619 1.00 1.00 H new ATOM 0 HB2 ALA A 35 3.548 -3.687 -0.748 1.00 1.00 H new ATOM 0 HB3 ALA A 35 3.130 -2.240 0.200 1.00 1.00 H new ATOM 533 N VAL A 36 4.233 -1.709 2.704 1.00 1.00 N ATOM 534 CA VAL A 36 4.663 -0.633 3.585 1.00 1.00 C ATOM 535 C VAL A 36 5.553 -1.180 4.696 1.00 1.00 C ATOM 536 O VAL A 36 6.584 -0.591 5.028 1.00 1.00 O ATOM 537 CB VAL A 36 3.447 0.094 4.185 1.00 1.00 C ATOM 538 CG1 VAL A 36 3.920 1.007 5.332 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.747 0.930 3.082 1.00 1.00 C ATOM 0 H VAL A 36 3.222 -1.816 2.621 1.00 1.00 H new ATOM 0 HA VAL A 36 5.238 0.083 2.997 1.00 1.00 H new ATOM 0 HB VAL A 36 2.735 -0.632 4.578 1.00 1.00 H new ATOM 0 HG11 VAL A 36 3.063 1.525 5.762 1.00 1.00 H new ATOM 0 HG12 VAL A 36 4.403 0.404 6.101 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.630 1.738 4.946 1.00 1.00 H new ATOM 0 HG21 VAL A 36 1.886 1.445 3.507 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.447 1.663 2.682 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.416 0.270 2.280 1.00 1.00 H new ATOM 549 N GLU A 37 5.152 -2.303 5.265 1.00 1.00 N ATOM 550 CA GLU A 37 5.927 -2.910 6.340 1.00 1.00 C ATOM 551 C GLU A 37 7.371 -3.136 5.904 1.00 1.00 C ATOM 552 O GLU A 37 8.311 -2.763 6.607 1.00 1.00 O ATOM 553 CB GLU A 37 5.310 -4.254 6.709 1.00 1.00 C ATOM 554 CG GLU A 37 5.900 -4.743 8.034 1.00 1.00 C ATOM 555 CD GLU A 37 5.244 -6.055 8.448 1.00 1.00 C ATOM 556 OE1 GLU A 37 4.195 -6.368 7.909 1.00 1.00 O ATOM 557 OE2 GLU A 37 5.799 -6.728 9.302 1.00 1.00 O ATOM 0 H GLU A 37 4.305 -2.810 5.007 1.00 1.00 H new ATOM 0 HA GLU A 37 5.916 -2.237 7.197 1.00 1.00 H new ATOM 0 HB2 GLU A 37 4.228 -4.157 6.795 1.00 1.00 H new ATOM 0 HB3 GLU A 37 5.504 -4.983 5.922 1.00 1.00 H new ATOM 0 HG2 GLU A 37 6.976 -4.882 7.932 1.00 1.00 H new ATOM 0 HG3 GLU A 37 5.747 -3.991 8.808 1.00 1.00 H new ATOM 564 N TYR A 38 7.540 -3.745 4.738 1.00 1.00 N ATOM 565 CA TYR A 38 8.882 -4.012 4.222 1.00 1.00 C ATOM 566 C TYR A 38 9.630 -2.709 3.955 1.00 1.00 C ATOM 567 O TYR A 38 10.836 -2.615 4.187 1.00 1.00 O ATOM 568 CB TYR A 38 8.812 -4.836 2.928 1.00 1.00 C ATOM 569 CG TYR A 38 8.607 -6.299 3.258 1.00 1.00 C ATOM 570 CD1 TYR A 38 7.448 -6.708 3.921 1.00 1.00 C ATOM 571 CD2 TYR A 38 9.575 -7.244 2.899 1.00 1.00 C ATOM 572 CE1 TYR A 38 7.253 -8.057 4.229 1.00 1.00 C ATOM 573 CE2 TYR A 38 9.382 -8.595 3.204 1.00 1.00 C ATOM 574 CZ TYR A 38 8.220 -9.002 3.871 1.00 1.00 C ATOM 575 OH TYR A 38 8.030 -10.330 4.177 1.00 1.00 O ATOM 0 H TYR A 38 6.779 -4.061 4.137 1.00 1.00 H new ATOM 0 HA TYR A 38 9.421 -4.581 4.979 1.00 1.00 H new ATOM 0 HB2 TYR A 38 7.995 -4.478 2.302 1.00 1.00 H new ATOM 0 HB3 TYR A 38 9.731 -4.709 2.356 1.00 1.00 H new ATOM 0 HD1 TYR A 38 6.700 -5.979 4.197 1.00 1.00 H new ATOM 0 HD2 TYR A 38 10.472 -6.930 2.386 1.00 1.00 H new ATOM 0 HE1 TYR A 38 6.356 -8.370 4.743 1.00 1.00 H new ATOM 0 HE2 TYR A 38 10.129 -9.324 2.925 1.00 1.00 H new ATOM 0 HH TYR A 38 8.795 -10.852 3.857 1.00 1.00 H new ATOM 585 N PHE A 39 8.913 -1.711 3.460 1.00 1.00 N ATOM 586 CA PHE A 39 9.533 -0.426 3.162 1.00 1.00 C ATOM 587 C PHE A 39 10.111 0.203 4.433 1.00 1.00 C ATOM 588 O PHE A 39 11.270 0.652 4.465 1.00 1.00 O ATOM 589 CB PHE A 39 8.476 0.514 2.543 1.00 1.00 C ATOM 590 CG PHE A 39 8.412 0.325 1.038 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.538 0.605 0.259 1.00 1.00 C ATOM 592 CD2 PHE A 39 7.235 -0.127 0.421 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.492 0.434 -1.127 1.00 1.00 C ATOM 594 CE2 PHE A 39 7.193 -0.301 -0.968 1.00 1.00 C ATOM 595 CZ PHE A 39 8.323 -0.020 -1.741 1.00 1.00 C ATOM 0 H PHE A 39 7.915 -1.763 3.258 1.00 1.00 H new ATOM 0 HA PHE A 39 10.349 -0.580 2.456 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.499 0.312 2.983 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.722 1.550 2.775 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.445 0.954 0.729 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.361 -0.341 1.018 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.364 0.654 -1.726 1.00 1.00 H new ATOM 0 HE2 PHE A 39 6.288 -0.652 -1.441 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.292 -0.154 -2.812 1.00 1.00 H new ATOM 605 N LEU A 40 9.299 0.228 5.477 1.00 1.00 N ATOM 606 CA LEU A 40 9.713 0.797 6.736 1.00 1.00 C ATOM 607 C LEU A 40 10.877 0.004 7.295 1.00 1.00 C ATOM 608 O LEU A 40 11.823 0.565 7.802 1.00 1.00 O ATOM 609 CB LEU A 40 8.555 0.760 7.733 1.00 1.00 C ATOM 610 CG LEU A 40 7.417 1.669 7.244 1.00 1.00 C ATOM 611 CD1 LEU A 40 6.172 1.420 8.099 1.00 1.00 C ATOM 612 CD2 LEU A 40 7.824 3.153 7.341 1.00 1.00 C ATOM 0 H LEU A 40 8.348 -0.142 5.471 1.00 1.00 H new ATOM 0 HA LEU A 40 10.017 1.831 6.573 1.00 1.00 H new ATOM 0 HB2 LEU A 40 8.193 -0.262 7.846 1.00 1.00 H new ATOM 0 HB3 LEU A 40 8.898 1.087 8.715 1.00 1.00 H new ATOM 0 HG LEU A 40 7.205 1.438 6.200 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.361 2.063 7.756 1.00 1.00 H new ATOM 0 HD12 LEU A 40 5.871 0.376 8.008 1.00 1.00 H new ATOM 0 HD13 LEU A 40 6.396 1.644 9.142 1.00 1.00 H new ATOM 0 HD21 LEU A 40 7.004 3.779 6.990 1.00 1.00 H new ATOM 0 HD22 LEU A 40 8.051 3.401 8.378 1.00 1.00 H new ATOM 0 HD23 LEU A 40 8.705 3.330 6.724 1.00 1.00 H new ATOM 624 N HIS A 41 10.821 -1.304 7.163 1.00 1.00 N ATOM 625 CA HIS A 41 11.901 -2.146 7.662 1.00 1.00 C ATOM 626 C HIS A 41 13.198 -1.867 6.905 1.00 1.00 C ATOM 627 O HIS A 41 14.284 -1.916 7.467 1.00 1.00 O ATOM 628 CB HIS A 41 11.517 -3.621 7.501 1.00 1.00 C ATOM 629 CG HIS A 41 12.427 -4.483 8.336 1.00 1.00 C ATOM 630 ND1 HIS A 41 12.124 -4.832 9.643 1.00 1.00 N ATOM 631 CD2 HIS A 41 13.635 -5.074 8.062 1.00 1.00 C ATOM 632 CE1 HIS A 41 13.129 -5.601 10.102 1.00 1.00 C ATOM 633 NE2 HIS A 41 14.078 -5.778 9.178 1.00 1.00 N ATOM 0 H HIS A 41 10.052 -1.808 6.721 1.00 1.00 H new ATOM 0 HA HIS A 41 12.060 -1.920 8.716 1.00 1.00 H new ATOM 0 HB2 HIS A 41 10.481 -3.771 7.804 1.00 1.00 H new ATOM 0 HB3 HIS A 41 11.588 -3.912 6.453 1.00 1.00 H new ATOM 0 HD2 HIS A 41 14.162 -5.003 7.122 1.00 1.00 H new ATOM 0 HE1 HIS A 41 13.164 -6.023 11.095 1.00 1.00 H new ATOM 0 HE2 HIS A 41 14.941 -6.314 9.271 1.00 1.00 H new ATOM 642 N ALA A 42 13.088 -1.601 5.623 1.00 1.00 N ATOM 643 CA ALA A 42 14.280 -1.347 4.818 1.00 1.00 C ATOM 644 C ALA A 42 15.020 -0.085 5.253 1.00 1.00 C ATOM 645 O ALA A 42 16.228 -0.090 5.443 1.00 1.00 O ATOM 646 CB ALA A 42 13.914 -1.188 3.352 1.00 1.00 C ATOM 0 H ALA A 42 12.205 -1.553 5.114 1.00 1.00 H new ATOM 0 HA ALA A 42 14.931 -2.209 4.964 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.816 -1.000 2.770 1.00 1.00 H new ATOM 0 HB2 ALA A 42 13.436 -2.100 2.995 1.00 1.00 H new ATOM 0 HB3 ALA A 42 13.227 -0.350 3.237 1.00 1.00 H new ATOM 652 N ILE A 43 14.297 0.992 5.455 1.00 1.00 N ATOM 653 CA ILE A 43 14.934 2.222 5.880 1.00 1.00 C ATOM 654 C ILE A 43 15.587 2.077 7.257 1.00 1.00 C ATOM 655 O ILE A 43 16.626 2.688 7.520 1.00 1.00 O ATOM 656 CB ILE A 43 13.902 3.343 5.898 1.00 1.00 C ATOM 657 CG1 ILE A 43 12.661 2.877 6.651 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.502 3.685 4.468 1.00 1.00 C ATOM 659 CD1 ILE A 43 11.635 4.008 6.722 1.00 1.00 C ATOM 0 H ILE A 43 13.285 1.045 5.335 1.00 1.00 H new ATOM 0 HA ILE A 43 15.726 2.461 5.171 1.00 1.00 H new ATOM 0 HB ILE A 43 14.330 4.218 6.387 1.00 1.00 H new ATOM 0 HG12 ILE A 43 12.226 2.012 6.151 1.00 1.00 H new ATOM 0 HG13 ILE A 43 12.934 2.560 7.657 1.00 1.00 H new ATOM 0 HG21 ILE A 43 12.764 4.487 4.479 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.382 4.009 3.912 1.00 1.00 H new ATOM 0 HG23 ILE A 43 13.074 2.804 3.989 1.00 1.00 H new ATOM 0 HD11 ILE A 43 10.752 3.665 7.262 1.00 1.00 H new ATOM 0 HD12 ILE A 43 12.070 4.861 7.242 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.350 4.305 5.713 1.00 1.00 H new ATOM 671 N LYS A 44 14.990 1.262 8.128 1.00 1.00 N ATOM 672 CA LYS A 44 15.560 1.055 9.472 1.00 1.00 C ATOM 673 C LYS A 44 16.637 -0.025 9.498 1.00 1.00 C ATOM 674 O LYS A 44 17.691 0.148 10.114 1.00 1.00 O ATOM 675 CB LYS A 44 14.476 0.660 10.472 1.00 1.00 C ATOM 676 CG LYS A 44 13.190 1.312 10.058 1.00 1.00 C ATOM 677 CD LYS A 44 12.091 1.099 11.099 1.00 1.00 C ATOM 678 CE LYS A 44 12.236 2.138 12.208 1.00 1.00 C ATOM 679 NZ LYS A 44 11.090 2.025 13.145 1.00 1.00 N ATOM 0 H LYS A 44 14.132 0.743 7.940 1.00 1.00 H new ATOM 0 HA LYS A 44 16.011 2.008 9.748 1.00 1.00 H new ATOM 0 HB2 LYS A 44 14.361 -0.424 10.498 1.00 1.00 H new ATOM 0 HB3 LYS A 44 14.755 0.975 11.478 1.00 1.00 H new ATOM 0 HG2 LYS A 44 13.353 2.380 9.913 1.00 1.00 H new ATOM 0 HG3 LYS A 44 12.868 0.906 9.099 1.00 1.00 H new ATOM 0 HD2 LYS A 44 11.110 1.184 10.631 1.00 1.00 H new ATOM 0 HD3 LYS A 44 12.159 0.094 11.516 1.00 1.00 H new ATOM 0 HE2 LYS A 44 13.173 1.986 12.743 1.00 1.00 H new ATOM 0 HE3 LYS A 44 12.272 3.140 11.780 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 11.188 2.733 13.901 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 10.202 2.190 12.629 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 11.075 1.073 13.562 1.00 1.00 H new ATOM 802 N ALA A 52 16.558 8.633 -0.460 1.00 1.00 N ATOM 803 CA ALA A 52 15.769 7.420 -0.565 1.00 1.00 C ATOM 804 C ALA A 52 14.772 7.358 0.578 1.00 1.00 C ATOM 805 O ALA A 52 13.580 7.224 0.354 1.00 1.00 O ATOM 806 CB ALA A 52 16.678 6.203 -0.490 1.00 1.00 C ATOM 0 HA ALA A 52 15.241 7.425 -1.518 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.079 5.296 -0.569 1.00 1.00 H new ATOM 0 HB2 ALA A 52 17.398 6.235 -1.308 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.210 6.204 0.461 1.00 1.00 H new ATOM 812 N LYS A 53 15.254 7.487 1.814 1.00 1.00 N ATOM 813 CA LYS A 53 14.349 7.437 2.953 1.00 1.00 C ATOM 814 C LYS A 53 13.146 8.330 2.722 1.00 1.00 C ATOM 815 O LYS A 53 12.007 7.885 2.849 1.00 1.00 O ATOM 816 CB LYS A 53 15.107 7.894 4.227 1.00 1.00 C ATOM 817 CG LYS A 53 15.420 6.699 5.181 1.00 1.00 C ATOM 818 CD LYS A 53 16.916 6.381 5.230 1.00 1.00 C ATOM 819 CE LYS A 53 17.295 5.482 4.101 1.00 1.00 C ATOM 820 NZ LYS A 53 17.250 6.242 2.823 1.00 1.00 N ATOM 0 H LYS A 53 16.238 7.623 2.045 1.00 1.00 H new ATOM 0 HA LYS A 53 13.996 6.414 3.080 1.00 1.00 H new ATOM 0 HB2 LYS A 53 16.038 8.382 3.939 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.510 8.635 4.758 1.00 1.00 H new ATOM 0 HG2 LYS A 53 15.066 6.934 6.185 1.00 1.00 H new ATOM 0 HG3 LYS A 53 14.873 5.817 4.849 1.00 1.00 H new ATOM 0 HD2 LYS A 53 17.492 7.305 5.177 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.162 5.906 6.180 1.00 1.00 H new ATOM 0 HE2 LYS A 53 18.295 5.081 4.262 1.00 1.00 H new ATOM 0 HE3 LYS A 53 16.614 4.632 4.055 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 18.082 6.002 2.247 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 16.385 5.994 2.302 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 17.252 7.262 3.025 1.00 1.00 H new ATOM 834 N GLU A 54 13.392 9.582 2.391 1.00 1.00 N ATOM 835 CA GLU A 54 12.295 10.494 2.159 1.00 1.00 C ATOM 836 C GLU A 54 11.341 9.897 1.140 1.00 1.00 C ATOM 837 O GLU A 54 10.121 10.000 1.282 1.00 1.00 O ATOM 838 CB GLU A 54 12.842 11.825 1.652 1.00 1.00 C ATOM 839 CG GLU A 54 13.415 12.617 2.822 1.00 1.00 C ATOM 840 CD GLU A 54 14.055 13.905 2.315 1.00 1.00 C ATOM 841 OE1 GLU A 54 13.988 14.144 1.122 1.00 1.00 O ATOM 842 OE2 GLU A 54 14.603 14.631 3.128 1.00 1.00 O ATOM 0 H GLU A 54 14.323 9.983 2.279 1.00 1.00 H new ATOM 0 HA GLU A 54 11.754 10.662 3.091 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.615 11.651 0.903 1.00 1.00 H new ATOM 0 HB3 GLU A 54 12.050 12.395 1.166 1.00 1.00 H new ATOM 0 HG2 GLU A 54 12.625 12.850 3.536 1.00 1.00 H new ATOM 0 HG3 GLU A 54 14.155 12.017 3.351 1.00 1.00 H new ATOM 849 N SER A 55 11.897 9.256 0.122 1.00 1.00 N ATOM 850 CA SER A 55 11.063 8.638 -0.890 1.00 1.00 C ATOM 851 C SER A 55 10.224 7.516 -0.280 1.00 1.00 C ATOM 852 O SER A 55 9.042 7.371 -0.591 1.00 1.00 O ATOM 853 CB SER A 55 11.922 8.073 -2.027 1.00 1.00 C ATOM 854 OG SER A 55 11.076 7.549 -3.040 1.00 1.00 O ATOM 0 H SER A 55 12.902 9.153 -0.022 1.00 1.00 H new ATOM 0 HA SER A 55 10.399 9.403 -1.292 1.00 1.00 H new ATOM 0 HB2 SER A 55 12.560 8.855 -2.439 1.00 1.00 H new ATOM 0 HB3 SER A 55 12.580 7.292 -1.647 1.00 1.00 H new ATOM 0 HG SER A 55 11.623 7.189 -3.769 1.00 1.00 H new ATOM 860 N ILE A 56 10.849 6.705 0.570 1.00 1.00 N ATOM 861 CA ILE A 56 10.149 5.588 1.181 1.00 1.00 C ATOM 862 C ILE A 56 9.080 6.091 2.144 1.00 1.00 C ATOM 863 O ILE A 56 7.957 5.612 2.137 1.00 1.00 O ATOM 864 CB ILE A 56 11.142 4.703 1.953 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.367 4.381 1.088 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.462 3.389 2.347 1.00 1.00 C ATOM 867 CD1 ILE A 56 11.930 3.896 -0.286 1.00 1.00 C ATOM 0 H ILE A 56 11.826 6.801 0.846 1.00 1.00 H new ATOM 0 HA ILE A 56 9.676 5.007 0.389 1.00 1.00 H new ATOM 0 HB ILE A 56 11.462 5.245 2.843 1.00 1.00 H new ATOM 0 HG12 ILE A 56 12.992 5.268 0.986 1.00 1.00 H new ATOM 0 HG13 ILE A 56 12.974 3.617 1.575 1.00 1.00 H new ATOM 0 HG21 ILE A 56 11.168 2.764 2.894 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.600 3.601 2.979 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.134 2.866 1.449 1.00 1.00 H new ATOM 0 HD11 ILE A 56 12.810 3.671 -0.889 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.324 2.996 -0.179 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.343 4.673 -0.776 1.00 1.00 H new ATOM 879 N ARG A 57 9.452 7.049 2.982 1.00 1.00 N ATOM 880 CA ARG A 57 8.512 7.597 3.955 1.00 1.00 C ATOM 881 C ARG A 57 7.314 8.218 3.234 1.00 1.00 C ATOM 882 O ARG A 57 6.169 7.832 3.458 1.00 1.00 O ATOM 883 CB ARG A 57 9.204 8.664 4.802 1.00 1.00 C ATOM 884 CG ARG A 57 10.298 8.010 5.644 1.00 1.00 C ATOM 885 CD ARG A 57 10.899 9.048 6.597 1.00 1.00 C ATOM 886 NE ARG A 57 11.976 8.456 7.380 1.00 1.00 N ATOM 887 CZ ARG A 57 12.448 9.059 8.468 1.00 1.00 C ATOM 888 NH1 ARG A 57 11.942 10.199 8.855 1.00 1.00 N ATOM 889 NH2 ARG A 57 13.418 8.512 9.149 1.00 1.00 N ATOM 0 H ARG A 57 10.385 7.460 3.010 1.00 1.00 H new ATOM 0 HA ARG A 57 8.165 6.790 4.601 1.00 1.00 H new ATOM 0 HB2 ARG A 57 9.634 9.432 4.159 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.479 9.159 5.448 1.00 1.00 H new ATOM 0 HG2 ARG A 57 9.885 7.176 6.211 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.075 7.602 4.997 1.00 1.00 H new ATOM 0 HD2 ARG A 57 11.279 9.897 6.028 1.00 1.00 H new ATOM 0 HD3 ARG A 57 10.125 9.431 7.262 1.00 1.00 H new ATOM 0 HE ARG A 57 12.375 7.564 7.089 1.00 1.00 H new ATOM 0 HH11 ARG A 57 11.185 10.628 8.323 1.00 1.00 H new ATOM 0 HH12 ARG A 57 12.304 10.661 9.689 1.00 1.00 H new ATOM 0 HH21 ARG A 57 13.814 7.622 8.847 1.00 1.00 H new ATOM 0 HH22 ARG A 57 13.780 8.975 9.983 1.00 1.00 H new ATOM 903 N ALA A 58 7.581 9.186 2.371 1.00 1.00 N ATOM 904 CA ALA A 58 6.509 9.851 1.637 1.00 1.00 C ATOM 905 C ALA A 58 5.617 8.820 0.945 1.00 1.00 C ATOM 906 O ALA A 58 4.382 8.845 1.067 1.00 1.00 O ATOM 907 CB ALA A 58 7.118 10.792 0.594 1.00 1.00 C ATOM 0 H ALA A 58 8.519 9.528 2.161 1.00 1.00 H new ATOM 0 HA ALA A 58 5.900 10.423 2.337 1.00 1.00 H new ATOM 0 HB1 ALA A 58 6.320 11.291 0.044 1.00 1.00 H new ATOM 0 HB2 ALA A 58 7.735 11.538 1.094 1.00 1.00 H new ATOM 0 HB3 ALA A 58 7.733 10.218 -0.099 1.00 1.00 H new ATOM 913 N LYS A 59 6.246 7.906 0.222 1.00 1.00 N ATOM 914 CA LYS A 59 5.500 6.875 -0.477 1.00 1.00 C ATOM 915 C LYS A 59 4.752 5.982 0.500 1.00 1.00 C ATOM 916 O LYS A 59 3.602 5.617 0.262 1.00 1.00 O ATOM 917 CB LYS A 59 6.453 6.053 -1.346 1.00 1.00 C ATOM 918 CG LYS A 59 7.006 6.927 -2.490 1.00 1.00 C ATOM 919 CD LYS A 59 5.939 7.185 -3.571 1.00 1.00 C ATOM 920 CE LYS A 59 5.445 5.862 -4.162 1.00 1.00 C ATOM 921 NZ LYS A 59 5.080 6.083 -5.584 1.00 1.00 N ATOM 0 H LYS A 59 7.258 7.858 0.105 1.00 1.00 H new ATOM 0 HA LYS A 59 4.758 7.352 -1.117 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.274 5.671 -0.739 1.00 1.00 H new ATOM 0 HB3 LYS A 59 5.931 5.189 -1.757 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.354 7.878 -2.087 1.00 1.00 H new ATOM 0 HG3 LYS A 59 7.869 6.436 -2.939 1.00 1.00 H new ATOM 0 HD2 LYS A 59 5.101 7.733 -3.140 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.356 7.810 -4.361 1.00 1.00 H new ATOM 0 HE2 LYS A 59 6.221 5.101 -4.085 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.583 5.497 -3.603 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 4.839 5.173 -6.026 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 4.260 6.721 -5.637 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 5.884 6.510 -6.086 1.00 1.00 H new ATOM 935 N CYS A 60 5.410 5.633 1.587 1.00 1.00 N ATOM 936 CA CYS A 60 4.800 4.779 2.591 1.00 1.00 C ATOM 937 C CYS A 60 3.456 5.369 2.993 1.00 1.00 C ATOM 938 O CYS A 60 2.480 4.645 3.183 1.00 1.00 O ATOM 939 CB CYS A 60 5.721 4.665 3.810 1.00 1.00 C ATOM 940 SG CYS A 60 6.957 3.383 3.505 1.00 1.00 S ATOM 0 H CYS A 60 6.364 5.925 1.799 1.00 1.00 H new ATOM 0 HA CYS A 60 4.647 3.780 2.183 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.210 5.620 4.001 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.139 4.421 4.699 1.00 1.00 H new ATOM 0 HG CYS A 60 7.781 3.785 2.583 1.00 1.00 H new ATOM 946 N VAL A 61 3.405 6.692 3.089 1.00 1.00 N ATOM 947 CA VAL A 61 2.159 7.360 3.438 1.00 1.00 C ATOM 948 C VAL A 61 1.140 7.152 2.327 1.00 1.00 C ATOM 949 O VAL A 61 -0.008 6.805 2.587 1.00 1.00 O ATOM 950 CB VAL A 61 2.399 8.854 3.643 1.00 1.00 C ATOM 951 CG1 VAL A 61 1.083 9.543 4.010 1.00 1.00 C ATOM 952 CG2 VAL A 61 3.411 9.055 4.767 1.00 1.00 C ATOM 0 H VAL A 61 4.198 7.314 2.933 1.00 1.00 H new ATOM 0 HA VAL A 61 1.778 6.934 4.366 1.00 1.00 H new ATOM 0 HB VAL A 61 2.786 9.288 2.721 1.00 1.00 H new ATOM 0 HG11 VAL A 61 1.259 10.609 4.155 1.00 1.00 H new ATOM 0 HG12 VAL A 61 0.361 9.401 3.206 1.00 1.00 H new ATOM 0 HG13 VAL A 61 0.691 9.111 4.931 1.00 1.00 H new ATOM 0 HG21 VAL A 61 3.584 10.121 4.915 1.00 1.00 H new ATOM 0 HG22 VAL A 61 3.023 8.619 5.688 1.00 1.00 H new ATOM 0 HG23 VAL A 61 4.350 8.569 4.502 1.00 1.00 H new ATOM 962 N GLN A 62 1.565 7.379 1.084 1.00 1.00 N ATOM 963 CA GLN A 62 0.658 7.217 -0.053 1.00 1.00 C ATOM 964 C GLN A 62 0.059 5.813 -0.056 1.00 1.00 C ATOM 965 O GLN A 62 -1.159 5.641 -0.201 1.00 1.00 O ATOM 966 CB GLN A 62 1.425 7.446 -1.356 1.00 1.00 C ATOM 967 CG GLN A 62 2.004 8.862 -1.354 1.00 1.00 C ATOM 968 CD GLN A 62 2.837 9.090 -2.610 1.00 1.00 C ATOM 969 OE1 GLN A 62 2.444 8.680 -3.703 1.00 1.00 O ATOM 970 NE2 GLN A 62 3.968 9.733 -2.517 1.00 1.00 N ATOM 0 H GLN A 62 2.512 7.670 0.841 1.00 1.00 H new ATOM 0 HA GLN A 62 -0.148 7.946 0.032 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.225 6.713 -1.455 1.00 1.00 H new ATOM 0 HB3 GLN A 62 0.762 7.312 -2.211 1.00 1.00 H new ATOM 0 HG2 GLN A 62 1.197 9.593 -1.306 1.00 1.00 H new ATOM 0 HG3 GLN A 62 2.621 9.010 -0.468 1.00 1.00 H new ATOM 0 HE21 GLN A 62 4.290 10.071 -1.610 1.00 1.00 H new ATOM 0 HE22 GLN A 62 4.531 9.898 -3.351 1.00 1.00 H new ATOM 979 N TYR A 63 0.916 4.811 0.115 1.00 1.00 N ATOM 980 CA TYR A 63 0.452 3.430 0.136 1.00 1.00 C ATOM 981 C TYR A 63 -0.504 3.202 1.294 1.00 1.00 C ATOM 982 O TYR A 63 -1.596 2.657 1.111 1.00 1.00 O ATOM 983 CB TYR A 63 1.651 2.472 0.249 1.00 1.00 C ATOM 984 CG TYR A 63 2.556 2.597 -0.970 1.00 1.00 C ATOM 985 CD1 TYR A 63 2.018 2.568 -2.263 1.00 1.00 C ATOM 986 CD2 TYR A 63 3.939 2.738 -0.807 1.00 1.00 C ATOM 987 CE1 TYR A 63 2.849 2.687 -3.377 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.771 2.858 -1.926 1.00 1.00 C ATOM 989 CZ TYR A 63 4.223 2.837 -3.210 1.00 1.00 C ATOM 990 OH TYR A 63 5.040 2.956 -4.312 1.00 1.00 O ATOM 0 H TYR A 63 1.922 4.927 0.239 1.00 1.00 H new ATOM 0 HA TYR A 63 -0.079 3.231 -0.795 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.217 2.695 1.153 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.296 1.446 0.341 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.953 2.453 -2.398 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.365 2.754 0.185 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.426 2.663 -4.370 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.838 2.967 -1.796 1.00 1.00 H new ATOM 0 HH TYR A 63 4.561 3.428 -5.025 1.00 1.00 H new ATOM 1000 N LEU A 64 -0.094 3.612 2.484 1.00 1.00 N ATOM 1001 CA LEU A 64 -0.944 3.428 3.648 1.00 1.00 C ATOM 1002 C LEU A 64 -2.266 4.150 3.458 1.00 1.00 C ATOM 1003 O LEU A 64 -3.323 3.576 3.696 1.00 1.00 O ATOM 1004 CB LEU A 64 -0.234 3.950 4.907 1.00 1.00 C ATOM 1005 CG LEU A 64 0.531 2.817 5.591 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.475 3.409 6.640 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.453 1.822 6.256 1.00 1.00 C ATOM 0 H LEU A 64 0.802 4.064 2.667 1.00 1.00 H new ATOM 0 HA LEU A 64 -1.143 2.363 3.769 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.453 4.753 4.639 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -0.965 4.373 5.596 1.00 1.00 H new ATOM 0 HG LEU A 64 1.111 2.274 4.845 1.00 1.00 H new ATOM 0 HD11 LEU A 64 2.023 2.605 7.131 1.00 1.00 H new ATOM 0 HD12 LEU A 64 2.179 4.085 6.155 1.00 1.00 H new ATOM 0 HD13 LEU A 64 0.896 3.959 7.382 1.00 1.00 H new ATOM 0 HD21 LEU A 64 0.109 1.022 6.738 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -1.051 2.346 7.002 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -1.110 1.397 5.497 1.00 1.00 H new ATOM 1019 N ASP A 65 -2.218 5.403 3.035 1.00 1.00 N ATOM 1020 CA ASP A 65 -3.435 6.168 2.839 1.00 1.00 C ATOM 1021 C ASP A 65 -4.405 5.379 1.981 1.00 1.00 C ATOM 1022 O ASP A 65 -5.591 5.279 2.297 1.00 1.00 O ATOM 1023 CB ASP A 65 -3.083 7.480 2.141 1.00 1.00 C ATOM 1024 CG ASP A 65 -4.337 8.305 1.898 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -5.415 7.802 2.166 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -4.201 9.430 1.448 1.00 1.00 O ATOM 0 H ASP A 65 -1.357 5.907 2.823 1.00 1.00 H new ATOM 0 HA ASP A 65 -3.901 6.373 3.803 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -2.380 8.047 2.751 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -2.587 7.273 1.193 1.00 1.00 H new ATOM 1031 N ARG A 66 -3.895 4.792 0.906 1.00 1.00 N ATOM 1032 CA ARG A 66 -4.745 3.994 0.042 1.00 1.00 C ATOM 1033 C ARG A 66 -5.331 2.822 0.830 1.00 1.00 C ATOM 1034 O ARG A 66 -6.514 2.510 0.722 1.00 1.00 O ATOM 1035 CB ARG A 66 -3.935 3.484 -1.144 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.612 4.651 -2.092 1.00 1.00 C ATOM 1037 CD ARG A 66 -4.891 5.196 -2.750 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.822 4.104 -3.015 1.00 1.00 N ATOM 1039 CZ ARG A 66 -5.720 3.364 -4.114 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -4.781 3.614 -4.983 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -6.552 2.379 -4.315 1.00 1.00 N ATOM 0 H ARG A 66 -2.918 4.852 0.618 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.564 4.609 -0.329 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -3.012 3.021 -0.794 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.496 2.715 -1.676 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -3.116 5.448 -1.538 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.916 4.317 -2.862 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -5.359 5.933 -2.098 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -4.642 5.706 -3.681 1.00 1.00 H new ATOM 0 HE ARG A 66 -6.564 3.905 -2.345 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -4.125 4.377 -4.819 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -4.703 3.046 -5.827 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -7.280 2.178 -3.629 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -6.475 1.810 -5.158 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.493 2.170 1.612 1.00 1.00 N ATOM 1056 CA ALA A 67 -4.946 1.037 2.404 1.00 1.00 C ATOM 1057 C ALA A 67 -6.024 1.476 3.398 1.00 1.00 C ATOM 1058 O ALA A 67 -6.969 0.738 3.675 1.00 1.00 O ATOM 1059 CB ALA A 67 -3.757 0.430 3.163 1.00 1.00 C ATOM 0 H ALA A 67 -3.505 2.400 1.718 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.372 0.289 1.735 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -4.099 -0.419 3.756 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -3.003 0.095 2.450 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.324 1.182 3.822 1.00 1.00 H new ATOM 1065 N GLU A 68 -5.870 2.676 3.937 1.00 1.00 N ATOM 1066 CA GLU A 68 -6.824 3.204 4.903 1.00 1.00 C ATOM 1067 C GLU A 68 -8.195 3.392 4.278 1.00 1.00 C ATOM 1068 O GLU A 68 -9.188 2.877 4.786 1.00 1.00 O ATOM 1069 CB GLU A 68 -6.329 4.551 5.429 1.00 1.00 C ATOM 1070 CG GLU A 68 -5.116 4.337 6.326 1.00 1.00 C ATOM 1071 CD GLU A 68 -5.536 3.658 7.625 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -6.426 4.176 8.278 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -4.959 2.633 7.949 1.00 1.00 O ATOM 0 H GLU A 68 -5.094 3.303 3.723 1.00 1.00 H new ATOM 0 HA GLU A 68 -6.909 2.486 5.719 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -6.067 5.204 4.596 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -7.123 5.049 5.987 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -4.376 3.725 5.810 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -4.642 5.294 6.544 1.00 1.00 H new ATOM 1080 N LYS A 69 -8.250 4.136 3.181 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.523 4.380 2.522 1.00 1.00 C ATOM 1082 C LYS A 69 -10.130 3.060 2.042 1.00 1.00 C ATOM 1083 O LYS A 69 -11.350 2.873 2.078 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.336 5.337 1.339 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.401 4.706 0.330 1.00 1.00 C ATOM 1086 CD LYS A 69 -8.135 5.664 -0.837 1.00 1.00 C ATOM 1087 CE LYS A 69 -9.452 6.018 -1.538 1.00 1.00 C ATOM 1088 NZ LYS A 69 -9.171 6.465 -2.930 1.00 1.00 N ATOM 0 H LYS A 69 -7.443 4.573 2.736 1.00 1.00 H new ATOM 0 HA LYS A 69 -10.204 4.840 3.238 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -10.298 5.553 0.875 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -8.929 6.287 1.685 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.460 4.444 0.813 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -8.835 3.779 -0.046 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -7.654 6.571 -0.471 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.448 5.203 -1.547 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -10.114 5.152 -1.550 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -9.968 6.806 -0.989 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -10.065 6.705 -3.405 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -8.555 7.303 -2.908 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -8.697 5.700 -3.451 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.265 2.148 1.583 1.00 1.00 N ATOM 1103 CA LEU A 70 -9.730 0.863 1.085 1.00 1.00 C ATOM 1104 C LEU A 70 -10.460 0.106 2.171 1.00 1.00 C ATOM 1105 O LEU A 70 -11.580 -0.369 1.975 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.544 0.033 0.560 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.116 0.548 -0.831 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -6.691 0.079 -1.143 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.064 0.005 -1.923 1.00 1.00 C ATOM 0 H LEU A 70 -8.254 2.279 1.549 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.423 1.041 0.263 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -7.707 0.099 1.255 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -8.824 -1.018 0.498 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.159 1.637 -0.821 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.394 0.445 -2.126 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.007 0.468 -0.389 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -6.657 -1.010 -1.136 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -8.748 0.378 -2.897 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.032 -1.085 -1.924 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.082 0.338 -1.720 1.00 1.00 H new ATOM 1121 N LYS A 71 -9.836 0.050 3.320 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.400 -0.605 4.479 1.00 1.00 C ATOM 1123 C LYS A 71 -11.560 0.214 5.058 1.00 1.00 C ATOM 1124 O LYS A 71 -12.420 -0.319 5.762 1.00 1.00 O ATOM 1125 CB LYS A 71 -9.353 -0.816 5.558 1.00 1.00 C ATOM 1126 CG LYS A 71 -9.914 -1.752 6.633 1.00 1.00 C ATOM 1127 CD LYS A 71 -8.806 -2.152 7.610 1.00 1.00 C ATOM 1128 CE LYS A 71 -8.130 -0.899 8.174 1.00 1.00 C ATOM 1129 NZ LYS A 71 -7.453 -1.240 9.456 1.00 1.00 N ATOM 0 H LYS A 71 -8.916 0.460 3.482 1.00 1.00 H new ATOM 0 HA LYS A 71 -10.770 -1.576 4.151 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -8.448 -1.243 5.124 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -9.074 0.140 6.002 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -10.723 -1.258 7.171 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -10.338 -2.642 6.167 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -9.223 -2.747 8.422 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -8.070 -2.776 7.103 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -7.405 -0.510 7.459 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -8.869 -0.115 8.337 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -6.993 -0.391 9.842 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -8.156 -1.593 10.137 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -6.737 -1.975 9.286 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.560 1.520 4.782 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.590 2.409 5.311 1.00 1.00 C ATOM 1145 C ASP A 72 -13.970 2.101 4.755 1.00 1.00 C ATOM 1146 O ASP A 72 -14.920 1.847 5.508 1.00 1.00 O ATOM 1147 CB ASP A 72 -12.230 3.848 4.922 1.00 1.00 C ATOM 1148 CG ASP A 72 -13.080 4.831 5.717 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -14.040 4.394 6.329 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -12.760 6.008 5.704 1.00 1.00 O ATOM 0 H ASP A 72 -10.862 1.981 4.199 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.625 2.270 6.391 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -11.173 4.031 5.113 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.391 3.996 3.854 1.00 1.00 H new ATOM 1155 N TYR A 73 -14.080 2.122 3.432 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.370 1.845 2.810 1.00 1.00 C ATOM 1157 C TYR A 73 -15.640 0.354 2.803 1.00 1.00 C ATOM 1158 O TYR A 73 -16.800 -0.065 2.850 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.470 2.419 1.396 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.650 1.607 0.439 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.140 0.384 -0.022 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.410 2.072 0.002 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.400 -0.377 -0.910 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.660 1.306 -0.886 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.150 0.082 -1.337 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.400 -0.679 -2.188 1.00 1.00 O ATOM 0 H TYR A 73 -13.317 2.321 2.785 1.00 1.00 H new ATOM 0 HA TYR A 73 -16.133 2.343 3.408 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.511 2.429 1.074 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -15.126 3.453 1.392 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.102 0.029 0.316 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -13.033 3.022 0.351 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -14.785 -1.319 -1.271 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.698 1.661 -1.226 1.00 1.00 H new ATOM 0 HH TYR A 73 -12.685 -1.615 -2.128 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.580 -0.448 2.755 1.00 1.00 N ATOM 1177 CA LEU A 74 -14.750 -1.903 2.750 1.00 1.00 C ATOM 1178 C LEU A 74 -15.450 -2.352 4.024 1.00 1.00 C ATOM 1179 O LEU A 74 -16.420 -3.111 3.977 1.00 1.00 O ATOM 1180 CB LEU A 74 -13.370 -2.570 2.681 1.00 1.00 C ATOM 1181 CG LEU A 74 -12.890 -2.716 1.229 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -11.390 -3.102 1.192 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -13.760 -3.787 0.508 1.00 1.00 C ATOM 0 H LEU A 74 -13.612 -0.127 2.720 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.352 -2.189 1.887 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -12.650 -1.979 3.246 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -13.415 -3.552 3.151 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.000 -1.763 0.711 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.065 -3.202 0.156 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -10.803 -2.326 1.683 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -11.245 -4.050 1.710 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -13.424 -3.895 -0.523 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -13.662 -4.742 1.023 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -14.804 -3.475 0.518 1.00 1.00 H new ATOM 1273 N PRO B 171 6.897 2.429 -7.540 1.00 1.00 N ATOM 1274 CA PRO B 171 5.683 2.537 -8.412 1.00 1.00 C ATOM 1275 C PRO B 171 4.685 3.556 -7.875 1.00 1.00 C ATOM 1276 O PRO B 171 4.810 4.017 -6.744 1.00 1.00 O ATOM 1277 CB PRO B 171 5.084 1.122 -8.386 1.00 1.00 C ATOM 1278 CG PRO B 171 5.567 0.532 -7.107 1.00 1.00 C ATOM 1279 CD PRO B 171 6.945 1.122 -6.864 1.00 1.00 C ATOM 0 HA PRO B 171 5.931 2.879 -9.417 1.00 1.00 H new ATOM 0 HB2 PRO B 171 3.995 1.152 -8.422 1.00 1.00 H new ATOM 0 HB3 PRO B 171 5.415 0.536 -9.243 1.00 1.00 H new ATOM 0 HG2 PRO B 171 4.890 0.772 -6.287 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.615 -0.555 -7.173 1.00 1.00 H new ATOM 0 HD2 PRO B 171 7.151 1.231 -5.799 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.729 0.488 -7.277 1.00 1.00 H new ATOM 1287 N GLU B 172 3.682 3.886 -8.690 1.00 1.00 N ATOM 1288 CA GLU B 172 2.653 4.840 -8.287 1.00 1.00 C ATOM 1289 C GLU B 172 1.328 4.124 -8.076 1.00 1.00 C ATOM 1290 O GLU B 172 0.948 3.248 -8.857 1.00 1.00 O ATOM 1291 CB GLU B 172 2.488 5.911 -9.363 1.00 1.00 C ATOM 1292 CG GLU B 172 1.584 7.026 -8.839 1.00 1.00 C ATOM 1293 CD GLU B 172 2.309 7.819 -7.755 1.00 1.00 C ATOM 1294 OE1 GLU B 172 3.491 7.583 -7.566 1.00 1.00 O ATOM 1295 OE2 GLU B 172 1.673 8.653 -7.133 1.00 1.00 O ATOM 0 H GLU B 172 3.562 3.507 -9.629 1.00 1.00 H new ATOM 0 HA GLU B 172 2.958 5.310 -7.352 1.00 1.00 H new ATOM 0 HB2 GLU B 172 3.461 6.317 -9.639 1.00 1.00 H new ATOM 0 HB3 GLU B 172 2.058 5.473 -10.264 1.00 1.00 H new ATOM 0 HG2 GLU B 172 1.298 7.688 -9.656 1.00 1.00 H new ATOM 0 HG3 GLU B 172 0.664 6.601 -8.437 1.00 1.00 H new ATOM 1302 N VAL B 173 0.636 4.493 -7.008 1.00 1.00 N ATOM 1303 CA VAL B 173 -0.637 3.871 -6.692 1.00 1.00 C ATOM 1304 C VAL B 173 -1.701 4.237 -7.743 1.00 1.00 C ATOM 1305 O VAL B 173 -1.790 5.387 -8.169 1.00 1.00 O ATOM 1306 CB VAL B 173 -1.118 4.301 -5.277 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -0.832 3.196 -4.252 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -0.376 5.566 -4.853 1.00 1.00 C ATOM 0 H VAL B 173 0.933 5.215 -6.351 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.496 2.790 -6.703 1.00 1.00 H new ATOM 0 HB VAL B 173 -2.192 4.485 -5.316 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -1.175 3.515 -3.268 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.357 2.286 -4.542 1.00 1.00 H new ATOM 0 HG13 VAL B 173 0.240 3.001 -4.217 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -0.711 5.869 -3.861 1.00 1.00 H new ATOM 0 HG22 VAL B 173 0.696 5.368 -4.829 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -0.582 6.365 -5.566 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.516 3.285 -8.147 1.00 1.00 N ATOM 1319 CA PRO B 174 -3.598 3.533 -9.144 1.00 1.00 C ATOM 1320 C PRO B 174 -4.758 4.323 -8.540 1.00 1.00 C ATOM 1321 O PRO B 174 -4.947 4.332 -7.324 1.00 1.00 O ATOM 1322 CB PRO B 174 -4.033 2.123 -9.558 1.00 1.00 C ATOM 1323 CG PRO B 174 -3.748 1.266 -8.371 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.522 1.878 -7.704 1.00 1.00 C ATOM 0 HA PRO B 174 -3.261 4.137 -9.986 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -5.091 2.097 -9.818 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -3.481 1.781 -10.433 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.597 1.249 -7.688 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.558 0.235 -8.669 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.585 1.805 -6.618 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.609 1.364 -8.006 1.00 1.00 H new