USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 449 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.513 (180deg=0.31) USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= -0.0364 (180deg=-0.249) USER MOD Single : A 9 GLN : amide:sc= -0.263 K(o=-0.26,f=-3.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -118:sc= -0.116 (180deg=-1.5!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -128:sc= -0.375 (180deg=-2.21!) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -141:sc= -0.567 (180deg=-1.47!) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0481) USER MOD Single : A 48 GLN : amide:sc= -0.405 X(o=-0.4,f=-0.3) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.919 -0.820 -0.421 1.00 52.43 N ATOM 2 CA MET A 1 1.997 0.112 -0.734 1.00 74.55 C ATOM 3 C MET A 1 3.348 -0.597 -0.722 1.00 14.44 C ATOM 4 O MET A 1 3.652 -1.357 0.197 1.00 13.42 O ATOM 5 CB MET A 1 2.005 1.270 0.265 1.00 62.20 C ATOM 6 CG MET A 1 1.037 2.386 -0.091 1.00 1.54 C ATOM 7 SD MET A 1 -0.671 1.982 0.322 1.00 50.31 S ATOM 8 CE MET A 1 -1.492 2.367 -1.223 1.00 33.52 C ATOM 0 H1 MET A 1 0.088 -0.291 -0.087 1.00 52.43 H new ATOM 0 H2 MET A 1 0.667 -1.358 -1.274 1.00 52.43 H new ATOM 0 H3 MET A 1 1.233 -1.477 0.322 1.00 52.43 H new ATOM 0 HA MET A 1 1.824 0.508 -1.735 1.00 74.55 H new ATOM 0 HB2 MET A 1 1.757 0.887 1.255 1.00 62.20 H new ATOM 0 HB3 MET A 1 3.013 1.680 0.325 1.00 62.20 H new ATOM 0 HG2 MET A 1 1.328 3.296 0.434 1.00 1.54 H new ATOM 0 HG3 MET A 1 1.109 2.597 -1.158 1.00 1.54 H new ATOM 0 HE1 MET A 1 -2.559 2.168 -1.127 1.00 33.52 H new ATOM 0 HE2 MET A 1 -1.339 3.419 -1.464 1.00 33.52 H new ATOM 0 HE3 MET A 1 -1.078 1.748 -2.019 1.00 33.52 H new ATOM 18 N ALA A 2 4.154 -0.342 -1.747 1.00 72.11 N ATOM 19 CA ALA A 2 5.473 -0.954 -1.852 1.00 54.01 C ATOM 20 C ALA A 2 6.570 0.041 -1.491 1.00 10.31 C ATOM 21 O ALA A 2 7.233 0.594 -2.367 1.00 43.02 O ATOM 22 CB ALA A 2 5.692 -1.498 -3.256 1.00 51.32 C ATOM 0 H ALA A 2 3.917 0.284 -2.517 1.00 72.11 H new ATOM 0 HA ALA A 2 5.521 -1.780 -1.143 1.00 54.01 H new ATOM 0 HB1 ALA A 2 6.681 -1.952 -3.320 1.00 51.32 H new ATOM 0 HB2 ALA A 2 4.933 -2.248 -3.478 1.00 51.32 H new ATOM 0 HB3 ALA A 2 5.619 -0.684 -3.977 1.00 51.32 H new ATOM 28 N GLY A 3 6.755 0.266 -0.193 1.00 65.14 N ATOM 29 CA GLY A 3 7.773 1.196 0.260 1.00 22.44 C ATOM 30 C GLY A 3 9.175 0.736 -0.088 1.00 40.22 C ATOM 31 O GLY A 3 10.106 1.541 -0.136 1.00 31.43 O ATOM 0 H GLY A 3 6.218 -0.179 0.552 1.00 65.14 H new ATOM 0 HA2 GLY A 3 7.593 2.173 -0.188 1.00 22.44 H new ATOM 0 HA3 GLY A 3 7.692 1.320 1.340 1.00 22.44 H new ATOM 35 N PHE A 4 9.327 -0.561 -0.331 1.00 65.33 N ATOM 36 CA PHE A 4 10.627 -1.127 -0.675 1.00 31.23 C ATOM 37 C PHE A 4 11.244 -0.392 -1.860 1.00 44.53 C ATOM 38 O PHE A 4 12.436 -0.079 -1.860 1.00 32.03 O ATOM 39 CB PHE A 4 10.489 -2.616 -1.000 1.00 34.04 C ATOM 40 CG PHE A 4 11.734 -3.221 -1.582 1.00 50.54 C ATOM 41 CD1 PHE A 4 12.716 -3.746 -0.758 1.00 41.03 C ATOM 42 CD2 PHE A 4 11.923 -3.263 -2.954 1.00 52.24 C ATOM 43 CE1 PHE A 4 13.863 -4.303 -1.291 1.00 61.33 C ATOM 44 CE2 PHE A 4 13.067 -3.819 -3.493 1.00 65.21 C ATOM 45 CZ PHE A 4 14.039 -4.339 -2.661 1.00 4.04 C ATOM 0 H PHE A 4 8.567 -1.240 -0.296 1.00 65.33 H new ATOM 0 HA PHE A 4 11.285 -1.009 0.186 1.00 31.23 H new ATOM 0 HB2 PHE A 4 10.224 -3.155 -0.090 1.00 34.04 H new ATOM 0 HB3 PHE A 4 9.666 -2.752 -1.702 1.00 34.04 H new ATOM 0 HD1 PHE A 4 12.584 -3.720 0.314 1.00 41.03 H new ATOM 0 HD2 PHE A 4 11.167 -2.856 -3.610 1.00 52.24 H new ATOM 0 HE1 PHE A 4 14.621 -4.710 -0.638 1.00 61.33 H new ATOM 0 HE2 PHE A 4 13.201 -3.847 -4.564 1.00 65.21 H new ATOM 0 HZ PHE A 4 14.935 -4.773 -3.080 1.00 4.04 H new ATOM 55 N LEU A 5 10.426 -0.118 -2.871 1.00 21.55 N ATOM 56 CA LEU A 5 10.890 0.580 -4.064 1.00 5.20 C ATOM 57 C LEU A 5 11.079 2.068 -3.785 1.00 75.05 C ATOM 58 O LEU A 5 11.864 2.742 -4.453 1.00 72.50 O ATOM 59 CB LEU A 5 9.898 0.386 -5.211 1.00 73.14 C ATOM 60 CG LEU A 5 9.977 -0.951 -5.948 1.00 61.45 C ATOM 61 CD1 LEU A 5 8.583 -1.504 -6.203 1.00 23.20 C ATOM 62 CD2 LEU A 5 10.738 -0.795 -7.257 1.00 51.11 C ATOM 0 H LEU A 5 9.438 -0.369 -2.888 1.00 21.55 H new ATOM 0 HA LEU A 5 11.853 0.158 -4.351 1.00 5.20 H new ATOM 0 HB2 LEU A 5 8.889 0.501 -4.815 1.00 73.14 H new ATOM 0 HB3 LEU A 5 10.049 1.187 -5.935 1.00 73.14 H new ATOM 0 HG LEU A 5 10.517 -1.659 -5.319 1.00 61.45 H new ATOM 0 HD11 LEU A 5 8.660 -2.456 -6.728 1.00 23.20 H new ATOM 0 HD12 LEU A 5 8.072 -1.655 -5.252 1.00 23.20 H new ATOM 0 HD13 LEU A 5 8.017 -0.798 -6.811 1.00 23.20 H new ATOM 0 HD21 LEU A 5 10.784 -1.757 -7.768 1.00 51.11 H new ATOM 0 HD22 LEU A 5 10.226 -0.071 -7.891 1.00 51.11 H new ATOM 0 HD23 LEU A 5 11.749 -0.445 -7.050 1.00 51.11 H new ATOM 74 N LYS A 6 10.354 2.575 -2.794 1.00 2.13 N ATOM 75 CA LYS A 6 10.443 3.982 -2.423 1.00 53.50 C ATOM 76 C LYS A 6 11.681 4.244 -1.572 1.00 44.22 C ATOM 77 O LYS A 6 12.196 5.362 -1.534 1.00 61.15 O ATOM 78 CB LYS A 6 9.187 4.410 -1.660 1.00 1.02 C ATOM 79 CG LYS A 6 8.812 5.866 -1.873 1.00 51.31 C ATOM 80 CD LYS A 6 8.005 6.411 -0.706 1.00 45.12 C ATOM 81 CE LYS A 6 6.622 5.782 -0.642 1.00 64.54 C ATOM 82 NZ LYS A 6 5.785 6.161 -1.814 1.00 3.51 N ATOM 0 H LYS A 6 9.698 2.032 -2.233 1.00 2.13 H new ATOM 0 HA LYS A 6 10.523 4.568 -3.338 1.00 53.50 H new ATOM 0 HB2 LYS A 6 8.353 3.780 -1.968 1.00 1.02 H new ATOM 0 HB3 LYS A 6 9.342 4.236 -0.595 1.00 1.02 H new ATOM 0 HG2 LYS A 6 9.717 6.461 -2.000 1.00 51.31 H new ATOM 0 HG3 LYS A 6 8.235 5.963 -2.793 1.00 51.31 H new ATOM 0 HD2 LYS A 6 8.536 6.219 0.226 1.00 45.12 H new ATOM 0 HD3 LYS A 6 7.910 7.493 -0.802 1.00 45.12 H new ATOM 0 HE2 LYS A 6 6.718 4.697 -0.600 1.00 64.54 H new ATOM 0 HE3 LYS A 6 6.124 6.093 0.276 1.00 64.54 H new ATOM 0 HZ1 LYS A 6 4.789 5.933 -1.618 1.00 3.51 H new ATOM 0 HZ2 LYS A 6 5.878 7.182 -1.991 1.00 3.51 H new ATOM 0 HZ3 LYS A 6 6.102 5.634 -2.652 1.00 3.51 H new ATOM 96 N VAL A 7 12.156 3.206 -0.891 1.00 63.02 N ATOM 97 CA VAL A 7 13.336 3.323 -0.043 1.00 3.30 C ATOM 98 C VAL A 7 14.606 2.990 -0.818 1.00 51.25 C ATOM 99 O VAL A 7 15.700 2.960 -0.256 1.00 4.53 O ATOM 100 CB VAL A 7 13.240 2.397 1.184 1.00 13.52 C ATOM 101 CG1 VAL A 7 12.032 2.762 2.035 1.00 44.14 C ATOM 102 CG2 VAL A 7 13.175 0.941 0.749 1.00 42.33 C ATOM 0 H VAL A 7 11.741 2.274 -0.910 1.00 63.02 H new ATOM 0 HA VAL A 7 13.381 4.358 0.295 1.00 3.30 H new ATOM 0 HB VAL A 7 14.136 2.532 1.790 1.00 13.52 H new ATOM 0 HG11 VAL A 7 11.980 2.097 2.897 1.00 44.14 H new ATOM 0 HG12 VAL A 7 12.126 3.793 2.377 1.00 44.14 H new ATOM 0 HG13 VAL A 7 11.124 2.658 1.441 1.00 44.14 H new ATOM 0 HG21 VAL A 7 13.108 0.301 1.629 1.00 42.33 H new ATOM 0 HG22 VAL A 7 12.298 0.788 0.121 1.00 42.33 H new ATOM 0 HG23 VAL A 7 14.073 0.689 0.185 1.00 42.33 H new ATOM 112 N VAL A 8 14.452 2.740 -2.115 1.00 44.20 N ATOM 113 CA VAL A 8 15.587 2.411 -2.970 1.00 31.44 C ATOM 114 C VAL A 8 15.803 3.481 -4.033 1.00 42.30 C ATOM 115 O VAL A 8 16.920 3.678 -4.511 1.00 21.31 O ATOM 116 CB VAL A 8 15.392 1.048 -3.661 1.00 14.12 C ATOM 117 CG1 VAL A 8 16.557 0.749 -4.591 1.00 5.01 C ATOM 118 CG2 VAL A 8 15.228 -0.055 -2.626 1.00 74.13 C ATOM 0 H VAL A 8 13.553 2.759 -2.596 1.00 44.20 H new ATOM 0 HA VAL A 8 16.465 2.361 -2.326 1.00 31.44 H new ATOM 0 HB VAL A 8 14.482 1.091 -4.260 1.00 14.12 H new ATOM 0 HG11 VAL A 8 16.401 -0.218 -5.070 1.00 5.01 H new ATOM 0 HG12 VAL A 8 16.622 1.525 -5.353 1.00 5.01 H new ATOM 0 HG13 VAL A 8 17.484 0.725 -4.017 1.00 5.01 H new ATOM 0 HG21 VAL A 8 15.091 -1.011 -3.132 1.00 74.13 H new ATOM 0 HG22 VAL A 8 16.118 -0.100 -1.998 1.00 74.13 H new ATOM 0 HG23 VAL A 8 14.357 0.155 -2.005 1.00 74.13 H new ATOM 128 N GLN A 9 14.727 4.171 -4.398 1.00 62.21 N ATOM 129 CA GLN A 9 14.800 5.222 -5.406 1.00 11.22 C ATOM 130 C GLN A 9 15.547 6.439 -4.870 1.00 0.10 C ATOM 131 O GLN A 9 16.129 7.210 -5.635 1.00 15.14 O ATOM 132 CB GLN A 9 13.394 5.628 -5.852 1.00 63.24 C ATOM 133 CG GLN A 9 12.647 6.464 -4.826 1.00 5.21 C ATOM 134 CD GLN A 9 11.278 6.897 -5.311 1.00 32.23 C ATOM 135 OE1 GLN A 9 10.254 6.475 -4.772 1.00 0.34 O ATOM 136 NE2 GLN A 9 11.252 7.743 -6.334 1.00 34.03 N ATOM 0 H GLN A 9 13.795 4.021 -4.011 1.00 62.21 H new ATOM 0 HA GLN A 9 15.347 4.831 -6.264 1.00 11.22 H new ATOM 0 HB2 GLN A 9 13.466 6.190 -6.783 1.00 63.24 H new ATOM 0 HB3 GLN A 9 12.816 4.729 -6.066 1.00 63.24 H new ATOM 0 HG2 GLN A 9 12.537 5.890 -3.906 1.00 5.21 H new ATOM 0 HG3 GLN A 9 13.238 7.347 -4.583 1.00 5.21 H new ATOM 0 HE21 GLN A 9 12.125 8.067 -6.750 1.00 34.03 H new ATOM 0 HE22 GLN A 9 10.359 8.069 -6.704 1.00 34.03 H new ATOM 145 N LEU A 10 15.527 6.606 -3.552 1.00 43.13 N ATOM 146 CA LEU A 10 16.203 7.730 -2.913 1.00 51.13 C ATOM 147 C LEU A 10 17.712 7.512 -2.882 1.00 21.22 C ATOM 148 O LEU A 10 18.488 8.468 -2.845 1.00 70.24 O ATOM 149 CB LEU A 10 15.675 7.927 -1.491 1.00 73.42 C ATOM 150 CG LEU A 10 14.156 8.036 -1.348 1.00 62.43 C ATOM 151 CD1 LEU A 10 13.775 8.325 0.095 1.00 3.03 C ATOM 152 CD2 LEU A 10 13.610 9.114 -2.273 1.00 35.25 C ATOM 0 H LEU A 10 15.050 5.978 -2.905 1.00 43.13 H new ATOM 0 HA LEU A 10 15.996 8.626 -3.498 1.00 51.13 H new ATOM 0 HB2 LEU A 10 16.019 7.093 -0.879 1.00 73.42 H new ATOM 0 HB3 LEU A 10 16.124 8.831 -1.080 1.00 73.42 H new ATOM 0 HG LEU A 10 13.713 7.082 -1.634 1.00 62.43 H new ATOM 0 HD11 LEU A 10 12.691 8.399 0.177 1.00 3.03 H new ATOM 0 HD12 LEU A 10 14.133 7.518 0.734 1.00 3.03 H new ATOM 0 HD13 LEU A 10 14.228 9.265 0.410 1.00 3.03 H new ATOM 0 HD21 LEU A 10 12.528 9.178 -2.158 1.00 35.25 H new ATOM 0 HD22 LEU A 10 14.059 10.074 -2.018 1.00 35.25 H new ATOM 0 HD23 LEU A 10 13.851 8.863 -3.306 1.00 35.25 H new ATOM 164 N LEU A 11 18.122 6.248 -2.898 1.00 43.41 N ATOM 165 CA LEU A 11 19.540 5.904 -2.874 1.00 34.32 C ATOM 166 C LEU A 11 20.208 6.252 -4.200 1.00 14.41 C ATOM 167 O LEU A 11 21.434 6.284 -4.299 1.00 52.20 O ATOM 168 CB LEU A 11 19.717 4.414 -2.576 1.00 62.34 C ATOM 169 CG LEU A 11 19.638 4.009 -1.104 1.00 71.00 C ATOM 170 CD1 LEU A 11 20.707 4.727 -0.295 1.00 14.13 C ATOM 171 CD2 LEU A 11 18.254 4.304 -0.544 1.00 21.33 C ATOM 0 H LEU A 11 17.493 5.445 -2.927 1.00 43.41 H new ATOM 0 HA LEU A 11 20.017 6.486 -2.085 1.00 34.32 H new ATOM 0 HB2 LEU A 11 18.955 3.861 -3.125 1.00 62.34 H new ATOM 0 HB3 LEU A 11 20.684 4.098 -2.967 1.00 62.34 H new ATOM 0 HG LEU A 11 19.816 2.936 -1.031 1.00 71.00 H new ATOM 0 HD11 LEU A 11 20.635 4.426 0.750 1.00 14.13 H new ATOM 0 HD12 LEU A 11 21.692 4.466 -0.681 1.00 14.13 H new ATOM 0 HD13 LEU A 11 20.561 5.804 -0.374 1.00 14.13 H new ATOM 0 HD21 LEU A 11 18.215 4.010 0.505 1.00 21.33 H new ATOM 0 HD22 LEU A 11 18.047 5.371 -0.629 1.00 21.33 H new ATOM 0 HD23 LEU A 11 17.507 3.743 -1.106 1.00 21.33 H new ATOM 183 N ALA A 12 19.392 6.515 -5.216 1.00 45.51 N ATOM 184 CA ALA A 12 19.904 6.866 -6.535 1.00 4.31 C ATOM 185 C ALA A 12 20.920 8.000 -6.446 1.00 3.02 C ATOM 186 O ALA A 12 21.946 7.984 -7.127 1.00 54.23 O ATOM 187 CB ALA A 12 18.760 7.253 -7.460 1.00 34.52 C ATOM 0 H ALA A 12 18.374 6.492 -5.151 1.00 45.51 H new ATOM 0 HA ALA A 12 20.409 5.991 -6.945 1.00 4.31 H new ATOM 0 HB1 ALA A 12 19.157 7.513 -8.441 1.00 34.52 H new ATOM 0 HB2 ALA A 12 18.071 6.414 -7.558 1.00 34.52 H new ATOM 0 HB3 ALA A 12 18.230 8.110 -7.045 1.00 34.52 H new ATOM 193 N LYS A 13 20.629 8.984 -5.602 1.00 23.03 N ATOM 194 CA LYS A 13 21.517 10.126 -5.422 1.00 42.51 C ATOM 195 C LYS A 13 22.818 9.704 -4.747 1.00 62.33 C ATOM 196 O LYS A 13 23.882 10.256 -5.028 1.00 63.32 O ATOM 197 CB LYS A 13 20.827 11.209 -4.590 1.00 11.34 C ATOM 198 CG LYS A 13 20.508 10.774 -3.170 1.00 31.11 C ATOM 199 CD LYS A 13 21.603 11.186 -2.201 1.00 1.32 C ATOM 200 CE LYS A 13 21.358 12.580 -1.642 1.00 74.52 C ATOM 201 NZ LYS A 13 22.295 12.905 -0.532 1.00 44.43 N ATOM 0 H LYS A 13 19.784 9.013 -5.031 1.00 23.03 H new ATOM 0 HA LYS A 13 21.753 10.528 -6.407 1.00 42.51 H new ATOM 0 HB2 LYS A 13 21.466 12.091 -4.556 1.00 11.34 H new ATOM 0 HB3 LYS A 13 19.903 11.504 -5.087 1.00 11.34 H new ATOM 0 HG2 LYS A 13 19.561 11.214 -2.858 1.00 31.11 H new ATOM 0 HG3 LYS A 13 20.382 9.692 -3.140 1.00 31.11 H new ATOM 0 HD2 LYS A 13 21.654 10.468 -1.382 1.00 1.32 H new ATOM 0 HD3 LYS A 13 22.567 11.161 -2.708 1.00 1.32 H new ATOM 0 HE2 LYS A 13 21.470 13.315 -2.439 1.00 74.52 H new ATOM 0 HE3 LYS A 13 20.331 12.652 -1.283 1.00 74.52 H new ATOM 0 HZ1 LYS A 13 22.096 13.863 -0.179 1.00 44.43 H new ATOM 0 HZ2 LYS A 13 22.171 12.218 0.239 1.00 44.43 H new ATOM 0 HZ3 LYS A 13 23.274 12.861 -0.880 1.00 44.43 H new ATOM 215 N TYR A 14 22.726 8.721 -3.858 1.00 52.30 N ATOM 216 CA TYR A 14 23.896 8.225 -3.143 1.00 15.43 C ATOM 217 C TYR A 14 24.854 7.514 -4.093 1.00 2.30 C ATOM 218 O TYR A 14 26.062 7.480 -3.864 1.00 4.15 O ATOM 219 CB TYR A 14 23.469 7.274 -2.024 1.00 25.53 C ATOM 220 CG TYR A 14 23.219 7.965 -0.703 1.00 1.42 C ATOM 221 CD1 TYR A 14 24.267 8.511 0.028 1.00 22.42 C ATOM 222 CD2 TYR A 14 21.934 8.075 -0.186 1.00 73.33 C ATOM 223 CE1 TYR A 14 24.043 9.143 1.236 1.00 71.22 C ATOM 224 CE2 TYR A 14 21.700 8.707 1.020 1.00 71.42 C ATOM 225 CZ TYR A 14 22.758 9.238 1.727 1.00 13.52 C ATOM 226 OH TYR A 14 22.530 9.869 2.929 1.00 20.21 O ATOM 0 H TYR A 14 21.853 8.252 -3.615 1.00 52.30 H new ATOM 0 HA TYR A 14 24.414 9.079 -2.707 1.00 15.43 H new ATOM 0 HB2 TYR A 14 22.562 6.752 -2.329 1.00 25.53 H new ATOM 0 HB3 TYR A 14 24.241 6.517 -1.888 1.00 25.53 H new ATOM 0 HD1 TYR A 14 25.274 8.440 -0.355 1.00 22.42 H new ATOM 0 HD2 TYR A 14 21.103 7.659 -0.737 1.00 73.33 H new ATOM 0 HE1 TYR A 14 24.869 9.560 1.792 1.00 71.22 H new ATOM 0 HE2 TYR A 14 20.695 8.785 1.407 1.00 71.42 H new ATOM 0 HH TYR A 14 21.571 9.851 3.131 1.00 20.21 H new ATOM 236 N GLY A 15 24.305 6.947 -5.163 1.00 12.41 N ATOM 237 CA GLY A 15 25.124 6.245 -6.133 1.00 60.12 C ATOM 238 C GLY A 15 24.553 4.890 -6.502 1.00 11.04 C ATOM 239 O GLY A 15 23.336 4.710 -6.535 1.00 54.21 O ATOM 0 H GLY A 15 23.307 6.962 -5.375 1.00 12.41 H new ATOM 0 HA2 GLY A 15 25.218 6.853 -7.033 1.00 60.12 H new ATOM 0 HA3 GLY A 15 26.128 6.115 -5.730 1.00 60.12 H new ATOM 243 N SER A 16 25.434 3.934 -6.780 1.00 54.23 N ATOM 244 CA SER A 16 25.010 2.590 -7.154 1.00 20.22 C ATOM 245 C SER A 16 25.637 1.547 -6.233 1.00 45.33 C ATOM 246 O SER A 16 25.841 0.398 -6.625 1.00 24.00 O ATOM 247 CB SER A 16 25.389 2.298 -8.607 1.00 22.01 C ATOM 248 OG SER A 16 24.905 3.310 -9.473 1.00 63.43 O ATOM 0 H SER A 16 26.445 4.065 -6.753 1.00 54.23 H new ATOM 0 HA SER A 16 23.926 2.536 -7.051 1.00 20.22 H new ATOM 0 HB2 SER A 16 26.473 2.226 -8.696 1.00 22.01 H new ATOM 0 HB3 SER A 16 24.980 1.333 -8.906 1.00 22.01 H new ATOM 0 HG SER A 16 25.162 3.101 -10.396 1.00 63.43 H new ATOM 254 N LYS A 17 25.942 1.957 -5.007 1.00 11.04 N ATOM 255 CA LYS A 17 26.545 1.061 -4.028 1.00 21.44 C ATOM 256 C LYS A 17 25.572 0.761 -2.892 1.00 73.31 C ATOM 257 O LYS A 17 25.438 -0.385 -2.463 1.00 4.23 O ATOM 258 CB LYS A 17 27.828 1.676 -3.465 1.00 22.14 C ATOM 259 CG LYS A 17 28.878 1.967 -4.523 1.00 2.43 C ATOM 260 CD LYS A 17 30.220 2.310 -3.897 1.00 60.33 C ATOM 261 CE LYS A 17 30.236 3.731 -3.356 1.00 3.02 C ATOM 262 NZ LYS A 17 29.693 3.803 -1.971 1.00 43.31 N ATOM 0 H LYS A 17 25.781 2.905 -4.667 1.00 11.04 H new ATOM 0 HA LYS A 17 26.788 0.125 -4.531 1.00 21.44 H new ATOM 0 HB2 LYS A 17 27.580 2.602 -2.947 1.00 22.14 H new ATOM 0 HB3 LYS A 17 28.250 0.999 -2.723 1.00 22.14 H new ATOM 0 HG2 LYS A 17 28.990 1.100 -5.174 1.00 2.43 H new ATOM 0 HG3 LYS A 17 28.545 2.795 -5.149 1.00 2.43 H new ATOM 0 HD2 LYS A 17 30.436 1.610 -3.090 1.00 60.33 H new ATOM 0 HD3 LYS A 17 31.009 2.193 -4.640 1.00 60.33 H new ATOM 0 HE2 LYS A 17 31.257 4.112 -3.366 1.00 3.02 H new ATOM 0 HE3 LYS A 17 29.649 4.375 -4.010 1.00 3.02 H new ATOM 0 HZ1 LYS A 17 28.844 4.404 -1.962 1.00 43.31 H new ATOM 0 HZ2 LYS A 17 29.444 2.847 -1.646 1.00 43.31 H new ATOM 0 HZ3 LYS A 17 30.411 4.208 -1.337 1.00 43.31 H new ATOM 276 N ALA A 18 24.893 1.797 -2.411 1.00 50.34 N ATOM 277 CA ALA A 18 23.929 1.644 -1.329 1.00 25.45 C ATOM 278 C ALA A 18 22.623 1.043 -1.837 1.00 43.00 C ATOM 279 O ALA A 18 21.877 0.423 -1.079 1.00 70.25 O ATOM 280 CB ALA A 18 23.670 2.985 -0.658 1.00 63.33 C ATOM 0 H ALA A 18 24.993 2.752 -2.754 1.00 50.34 H new ATOM 0 HA ALA A 18 24.352 0.959 -0.594 1.00 25.45 H new ATOM 0 HB1 ALA A 18 22.948 2.855 0.148 1.00 63.33 H new ATOM 0 HB2 ALA A 18 24.603 3.374 -0.250 1.00 63.33 H new ATOM 0 HB3 ALA A 18 23.273 3.688 -1.391 1.00 63.33 H new ATOM 286 N VAL A 19 22.352 1.232 -3.125 1.00 22.24 N ATOM 287 CA VAL A 19 21.136 0.708 -3.735 1.00 12.24 C ATOM 288 C VAL A 19 21.213 -0.805 -3.903 1.00 70.01 C ATOM 289 O VAL A 19 20.207 -1.504 -3.785 1.00 50.04 O ATOM 290 CB VAL A 19 20.874 1.354 -5.108 1.00 72.01 C ATOM 291 CG1 VAL A 19 22.029 1.076 -6.058 1.00 73.11 C ATOM 292 CG2 VAL A 19 19.561 0.852 -5.690 1.00 40.55 C ATOM 0 H VAL A 19 22.958 1.744 -3.766 1.00 22.24 H new ATOM 0 HA VAL A 19 20.314 0.954 -3.063 1.00 12.24 H new ATOM 0 HB VAL A 19 20.797 2.433 -4.974 1.00 72.01 H new ATOM 0 HG11 VAL A 19 21.826 1.540 -7.023 1.00 73.11 H new ATOM 0 HG12 VAL A 19 22.949 1.488 -5.643 1.00 73.11 H new ATOM 0 HG13 VAL A 19 22.141 -0.000 -6.189 1.00 73.11 H new ATOM 0 HG21 VAL A 19 19.391 1.319 -6.660 1.00 40.55 H new ATOM 0 HG22 VAL A 19 19.607 -0.230 -5.811 1.00 40.55 H new ATOM 0 HG23 VAL A 19 18.743 1.108 -5.016 1.00 40.55 H new ATOM 302 N GLN A 20 22.414 -1.304 -4.179 1.00 13.22 N ATOM 303 CA GLN A 20 22.622 -2.735 -4.364 1.00 32.13 C ATOM 304 C GLN A 20 22.264 -3.505 -3.097 1.00 32.30 C ATOM 305 O GLN A 20 21.760 -4.627 -3.162 1.00 43.35 O ATOM 306 CB GLN A 20 24.075 -3.015 -4.751 1.00 52.34 C ATOM 307 CG GLN A 20 24.252 -4.278 -5.578 1.00 33.55 C ATOM 308 CD GLN A 20 25.706 -4.577 -5.883 1.00 61.12 C ATOM 309 OE1 GLN A 20 26.533 -4.689 -4.977 1.00 54.03 O ATOM 310 NE2 GLN A 20 26.027 -4.708 -7.165 1.00 61.31 N ATOM 0 H GLN A 20 23.257 -0.739 -4.279 1.00 13.22 H new ATOM 0 HA GLN A 20 21.968 -3.070 -5.169 1.00 32.13 H new ATOM 0 HB2 GLN A 20 24.463 -2.165 -5.313 1.00 52.34 H new ATOM 0 HB3 GLN A 20 24.674 -3.097 -3.844 1.00 52.34 H new ATOM 0 HG2 GLN A 20 23.816 -5.122 -5.043 1.00 33.55 H new ATOM 0 HG3 GLN A 20 23.702 -4.175 -6.514 1.00 33.55 H new ATOM 0 HE21 GLN A 20 25.310 -4.607 -7.883 1.00 61.31 H new ATOM 0 HE22 GLN A 20 26.991 -4.909 -7.431 1.00 61.31 H new ATOM 319 N TRP A 21 22.527 -2.897 -1.946 1.00 42.45 N ATOM 320 CA TRP A 21 22.233 -3.526 -0.664 1.00 71.11 C ATOM 321 C TRP A 21 20.752 -3.870 -0.554 1.00 33.41 C ATOM 322 O TRP A 21 20.386 -5.034 -0.387 1.00 43.42 O ATOM 323 CB TRP A 21 22.642 -2.604 0.486 1.00 73.03 C ATOM 324 CG TRP A 21 22.686 -3.295 1.815 1.00 73.52 C ATOM 325 CD1 TRP A 21 23.533 -4.299 2.189 1.00 5.40 C ATOM 326 CD2 TRP A 21 21.845 -3.036 2.944 1.00 12.11 C ATOM 327 NE1 TRP A 21 23.270 -4.678 3.483 1.00 22.41 N ATOM 328 CE2 TRP A 21 22.239 -3.918 3.969 1.00 63.32 C ATOM 329 CE3 TRP A 21 20.799 -2.143 3.190 1.00 14.22 C ATOM 330 CZ2 TRP A 21 21.622 -3.932 5.217 1.00 65.41 C ATOM 331 CZ3 TRP A 21 20.187 -2.158 4.429 1.00 23.24 C ATOM 332 CH2 TRP A 21 20.601 -3.047 5.430 1.00 31.33 C ATOM 0 H TRP A 21 22.944 -1.969 -1.874 1.00 42.45 H new ATOM 0 HA TRP A 21 22.807 -4.450 -0.601 1.00 71.11 H new ATOM 0 HB2 TRP A 21 23.624 -2.181 0.272 1.00 73.03 H new ATOM 0 HB3 TRP A 21 21.941 -1.771 0.541 1.00 73.03 H new ATOM 0 HD1 TRP A 21 24.297 -4.731 1.560 1.00 5.40 H new ATOM 0 HE1 TRP A 21 23.763 -5.407 3.999 1.00 22.41 H new ATOM 0 HE3 TRP A 21 20.474 -1.453 2.425 1.00 14.22 H new ATOM 0 HZ2 TRP A 21 21.938 -4.617 5.989 1.00 65.41 H new ATOM 0 HZ3 TRP A 21 19.376 -1.473 4.629 1.00 23.24 H new ATOM 0 HH2 TRP A 21 20.104 -3.033 6.389 1.00 31.33 H new ATOM 343 N ALA A 22 19.903 -2.852 -0.648 1.00 41.14 N ATOM 344 CA ALA A 22 18.461 -3.048 -0.562 1.00 24.25 C ATOM 345 C ALA A 22 17.995 -4.129 -1.531 1.00 41.22 C ATOM 346 O ALA A 22 17.183 -4.984 -1.178 1.00 62.02 O ATOM 347 CB ALA A 22 17.733 -1.741 -0.835 1.00 43.44 C ATOM 0 H ALA A 22 20.189 -1.882 -0.784 1.00 41.14 H new ATOM 0 HA ALA A 22 18.224 -3.378 0.450 1.00 24.25 H new ATOM 0 HB1 ALA A 22 16.657 -1.903 -0.767 1.00 43.44 H new ATOM 0 HB2 ALA A 22 18.035 -0.996 -0.099 1.00 43.44 H new ATOM 0 HB3 ALA A 22 17.984 -1.386 -1.835 1.00 43.44 H new ATOM 353 N TRP A 23 18.513 -4.083 -2.753 1.00 73.33 N ATOM 354 CA TRP A 23 18.148 -5.059 -3.774 1.00 50.04 C ATOM 355 C TRP A 23 18.664 -6.447 -3.411 1.00 4.44 C ATOM 356 O TRP A 23 18.058 -7.457 -3.764 1.00 72.14 O ATOM 357 CB TRP A 23 18.703 -4.635 -5.135 1.00 70.32 C ATOM 358 CG TRP A 23 17.800 -3.698 -5.879 1.00 62.44 C ATOM 359 CD1 TRP A 23 17.930 -2.343 -5.981 1.00 44.23 C ATOM 360 CD2 TRP A 23 16.628 -4.048 -6.623 1.00 51.03 C ATOM 361 NE1 TRP A 23 16.910 -1.829 -6.744 1.00 14.51 N ATOM 362 CE2 TRP A 23 16.098 -2.854 -7.150 1.00 73.14 C ATOM 363 CE3 TRP A 23 15.976 -5.253 -6.897 1.00 72.12 C ATOM 364 CZ2 TRP A 23 14.946 -2.833 -7.933 1.00 64.22 C ATOM 365 CZ3 TRP A 23 14.833 -5.231 -7.674 1.00 41.40 C ATOM 366 CH2 TRP A 23 14.328 -4.028 -8.185 1.00 43.34 C ATOM 0 H TRP A 23 19.186 -3.381 -3.061 1.00 73.33 H new ATOM 0 HA TRP A 23 17.060 -5.100 -3.829 1.00 50.04 H new ATOM 0 HB2 TRP A 23 19.672 -4.157 -4.991 1.00 70.32 H new ATOM 0 HB3 TRP A 23 18.873 -5.524 -5.743 1.00 70.32 H new ATOM 0 HD1 TRP A 23 18.719 -1.761 -5.528 1.00 44.23 H new ATOM 0 HE1 TRP A 23 16.779 -0.843 -6.971 1.00 14.51 H new ATOM 0 HE3 TRP A 23 16.358 -6.185 -6.508 1.00 72.12 H new ATOM 0 HZ2 TRP A 23 14.554 -1.907 -8.327 1.00 64.22 H new ATOM 0 HZ3 TRP A 23 14.321 -6.157 -7.891 1.00 41.40 H new ATOM 0 HH2 TRP A 23 13.433 -4.044 -8.790 1.00 43.34 H new ATOM 377 N ALA A 24 19.788 -6.488 -2.702 1.00 31.12 N ATOM 378 CA ALA A 24 20.384 -7.752 -2.288 1.00 60.44 C ATOM 379 C ALA A 24 19.634 -8.352 -1.104 1.00 11.22 C ATOM 380 O ALA A 24 19.489 -9.569 -1.001 1.00 13.04 O ATOM 381 CB ALA A 24 21.852 -7.555 -1.941 1.00 21.02 C ATOM 0 H ALA A 24 20.304 -5.660 -2.403 1.00 31.12 H new ATOM 0 HA ALA A 24 20.310 -8.450 -3.122 1.00 60.44 H new ATOM 0 HB1 ALA A 24 22.284 -8.507 -1.634 1.00 21.02 H new ATOM 0 HB2 ALA A 24 22.385 -7.180 -2.815 1.00 21.02 H new ATOM 0 HB3 ALA A 24 21.940 -6.837 -1.126 1.00 21.02 H new ATOM 387 N ASN A 25 19.160 -7.488 -0.211 1.00 72.44 N ATOM 388 CA ASN A 25 18.425 -7.933 0.967 1.00 23.44 C ATOM 389 C ASN A 25 16.920 -7.880 0.723 1.00 63.32 C ATOM 390 O ASN A 25 16.347 -6.806 0.539 1.00 64.25 O ATOM 391 CB ASN A 25 18.788 -7.069 2.176 1.00 12.44 C ATOM 392 CG ASN A 25 20.052 -7.542 2.868 1.00 74.11 C ATOM 393 OD1 ASN A 25 19.995 -8.285 3.848 1.00 1.10 O ATOM 394 ND2 ASN A 25 21.201 -7.113 2.359 1.00 14.41 N ATOM 0 H ASN A 25 19.272 -6.477 -0.281 1.00 72.44 H new ATOM 0 HA ASN A 25 18.705 -8.967 1.170 1.00 23.44 H new ATOM 0 HB2 ASN A 25 18.918 -6.036 1.854 1.00 12.44 H new ATOM 0 HB3 ASN A 25 17.962 -7.080 2.887 1.00 12.44 H new ATOM 0 HD21 ASN A 25 22.084 -7.399 2.782 1.00 14.41 H new ATOM 0 HD22 ASN A 25 21.200 -6.498 1.545 1.00 14.41 H new ATOM 401 N LYS A 26 16.285 -9.047 0.723 1.00 31.21 N ATOM 402 CA LYS A 26 14.846 -9.135 0.503 1.00 22.55 C ATOM 403 C LYS A 26 14.148 -9.749 1.713 1.00 13.40 C ATOM 404 O LYS A 26 13.822 -10.935 1.718 1.00 14.24 O ATOM 405 CB LYS A 26 14.550 -9.968 -0.746 1.00 24.31 C ATOM 406 CG LYS A 26 15.326 -11.273 -0.805 1.00 32.02 C ATOM 407 CD LYS A 26 14.581 -12.329 -1.605 1.00 1.43 C ATOM 408 CE LYS A 26 15.494 -13.482 -1.991 1.00 60.22 C ATOM 409 NZ LYS A 26 15.940 -14.259 -0.802 1.00 1.04 N ATOM 0 H LYS A 26 16.744 -9.945 0.873 1.00 31.21 H new ATOM 0 HA LYS A 26 14.463 -8.125 0.358 1.00 22.55 H new ATOM 0 HB2 LYS A 26 13.483 -10.188 -0.782 1.00 24.31 H new ATOM 0 HB3 LYS A 26 14.783 -9.376 -1.631 1.00 24.31 H new ATOM 0 HG2 LYS A 26 16.303 -11.096 -1.255 1.00 32.02 H new ATOM 0 HG3 LYS A 26 15.502 -11.639 0.207 1.00 32.02 H new ATOM 0 HD2 LYS A 26 13.743 -12.707 -1.019 1.00 1.43 H new ATOM 0 HD3 LYS A 26 14.163 -11.878 -2.505 1.00 1.43 H new ATOM 0 HE2 LYS A 26 14.971 -14.144 -2.682 1.00 60.22 H new ATOM 0 HE3 LYS A 26 16.365 -13.094 -2.519 1.00 60.22 H new ATOM 0 HZ1 LYS A 26 16.560 -15.036 -1.108 1.00 1.04 H new ATOM 0 HZ2 LYS A 26 16.461 -13.634 -0.154 1.00 1.04 H new ATOM 0 HZ3 LYS A 26 15.110 -14.651 -0.312 1.00 1.04 H new ATOM 423 N GLY A 27 13.920 -8.931 2.737 1.00 72.13 N ATOM 424 CA GLY A 27 13.260 -9.411 3.937 1.00 60.32 C ATOM 425 C GLY A 27 13.536 -8.533 5.141 1.00 40.00 C ATOM 426 O GLY A 27 12.615 -7.966 5.730 1.00 23.41 O ATOM 0 H GLY A 27 14.181 -7.945 2.756 1.00 72.13 H new ATOM 0 HA2 GLY A 27 12.185 -9.456 3.763 1.00 60.32 H new ATOM 0 HA3 GLY A 27 13.592 -10.427 4.149 1.00 60.32 H new ATOM 430 N LYS A 28 14.808 -8.420 5.510 1.00 55.02 N ATOM 431 CA LYS A 28 15.204 -7.605 6.652 1.00 33.01 C ATOM 432 C LYS A 28 14.627 -6.197 6.542 1.00 22.12 C ATOM 433 O LYS A 28 13.916 -5.736 7.436 1.00 60.34 O ATOM 434 CB LYS A 28 16.729 -7.537 6.751 1.00 4.42 C ATOM 435 CG LYS A 28 17.240 -7.382 8.173 1.00 22.23 C ATOM 436 CD LYS A 28 17.552 -8.729 8.803 1.00 34.43 C ATOM 437 CE LYS A 28 16.281 -9.472 9.188 1.00 1.32 C ATOM 438 NZ LYS A 28 15.797 -10.351 8.088 1.00 43.22 N ATOM 0 H LYS A 28 15.582 -8.883 5.034 1.00 55.02 H new ATOM 0 HA LYS A 28 14.808 -8.071 7.554 1.00 33.01 H new ATOM 0 HB2 LYS A 28 17.154 -8.443 6.318 1.00 4.42 H new ATOM 0 HB3 LYS A 28 17.087 -6.699 6.152 1.00 4.42 H new ATOM 0 HG2 LYS A 28 18.137 -6.763 8.173 1.00 22.23 H new ATOM 0 HG3 LYS A 28 16.494 -6.862 8.774 1.00 22.23 H new ATOM 0 HD2 LYS A 28 18.131 -9.333 8.104 1.00 34.43 H new ATOM 0 HD3 LYS A 28 18.172 -8.583 9.688 1.00 34.43 H new ATOM 0 HE2 LYS A 28 16.467 -10.073 10.078 1.00 1.32 H new ATOM 0 HE3 LYS A 28 15.504 -8.753 9.446 1.00 1.32 H new ATOM 0 HZ1 LYS A 28 14.795 -10.148 7.897 1.00 43.22 H new ATOM 0 HZ2 LYS A 28 16.356 -10.173 7.230 1.00 43.22 H new ATOM 0 HZ3 LYS A 28 15.901 -11.347 8.368 1.00 43.22 H new ATOM 452 N ILE A 29 14.937 -5.520 5.442 1.00 62.12 N ATOM 453 CA ILE A 29 14.447 -4.166 5.215 1.00 23.11 C ATOM 454 C ILE A 29 12.930 -4.148 5.066 1.00 33.35 C ATOM 455 O ILE A 29 12.262 -3.217 5.517 1.00 53.41 O ATOM 456 CB ILE A 29 15.082 -3.541 3.959 1.00 2.40 C ATOM 457 CG1 ILE A 29 16.608 -3.552 4.073 1.00 70.04 C ATOM 458 CG2 ILE A 29 14.571 -2.122 3.758 1.00 42.22 C ATOM 459 CD1 ILE A 29 17.308 -2.967 2.866 1.00 1.12 C ATOM 0 H ILE A 29 15.525 -5.887 4.694 1.00 62.12 H new ATOM 0 HA ILE A 29 14.731 -3.577 6.087 1.00 23.11 H new ATOM 0 HB ILE A 29 14.797 -4.136 3.091 1.00 2.40 H new ATOM 0 HG12 ILE A 29 16.902 -2.992 4.961 1.00 70.04 H new ATOM 0 HG13 ILE A 29 16.946 -4.578 4.217 1.00 70.04 H new ATOM 0 HG21 ILE A 29 15.029 -1.693 2.866 1.00 42.22 H new ATOM 0 HG22 ILE A 29 13.488 -2.139 3.637 1.00 42.22 H new ATOM 0 HG23 ILE A 29 14.830 -1.516 4.626 1.00 42.22 H new ATOM 0 HD11 ILE A 29 18.387 -3.007 3.016 1.00 1.12 H new ATOM 0 HD12 ILE A 29 17.043 -3.541 1.978 1.00 1.12 H new ATOM 0 HD13 ILE A 29 16.999 -1.930 2.733 1.00 1.12 H new ATOM 471 N LEU A 30 12.391 -5.184 4.434 1.00 73.53 N ATOM 472 CA LEU A 30 10.950 -5.290 4.227 1.00 4.20 C ATOM 473 C LEU A 30 10.200 -5.163 5.549 1.00 51.32 C ATOM 474 O LEU A 30 9.050 -4.723 5.582 1.00 64.14 O ATOM 475 CB LEU A 30 10.607 -6.622 3.559 1.00 64.43 C ATOM 476 CG LEU A 30 10.592 -6.622 2.030 1.00 74.03 C ATOM 477 CD1 LEU A 30 9.428 -5.793 1.508 1.00 5.31 C ATOM 478 CD2 LEU A 30 11.911 -6.097 1.483 1.00 40.21 C ATOM 0 H LEU A 30 12.930 -5.963 4.056 1.00 73.53 H new ATOM 0 HA LEU A 30 10.640 -4.474 3.574 1.00 4.20 H new ATOM 0 HB2 LEU A 30 11.325 -7.370 3.895 1.00 64.43 H new ATOM 0 HB3 LEU A 30 9.626 -6.941 3.912 1.00 64.43 H new ATOM 0 HG LEU A 30 10.463 -7.649 1.687 1.00 74.03 H new ATOM 0 HD11 LEU A 30 9.433 -5.804 0.418 1.00 5.31 H new ATOM 0 HD12 LEU A 30 8.490 -6.214 1.871 1.00 5.31 H new ATOM 0 HD13 LEU A 30 9.526 -4.766 1.861 1.00 5.31 H new ATOM 0 HD21 LEU A 30 11.882 -6.104 0.393 1.00 40.21 H new ATOM 0 HD22 LEU A 30 12.071 -5.078 1.835 1.00 40.21 H new ATOM 0 HD23 LEU A 30 12.727 -6.732 1.828 1.00 40.21 H new ATOM 490 N ASP A 31 10.858 -5.548 6.636 1.00 22.23 N ATOM 491 CA ASP A 31 10.255 -5.474 7.962 1.00 74.42 C ATOM 492 C ASP A 31 10.140 -4.026 8.427 1.00 65.00 C ATOM 493 O ASP A 31 9.119 -3.621 8.982 1.00 22.03 O ATOM 494 CB ASP A 31 11.078 -6.282 8.966 1.00 30.32 C ATOM 495 CG ASP A 31 10.912 -7.778 8.781 1.00 42.23 C ATOM 496 OD1 ASP A 31 9.953 -8.187 8.094 1.00 64.33 O ATOM 497 OD2 ASP A 31 11.741 -8.539 9.323 1.00 12.34 O ATOM 0 H ASP A 31 11.810 -5.915 6.626 1.00 22.23 H new ATOM 0 HA ASP A 31 9.252 -5.898 7.902 1.00 74.42 H new ATOM 0 HB2 ASP A 31 12.131 -6.021 8.862 1.00 30.32 H new ATOM 0 HB3 ASP A 31 10.780 -6.009 9.978 1.00 30.32 H new ATOM 502 N TRP A 32 11.195 -3.252 8.197 1.00 13.24 N ATOM 503 CA TRP A 32 11.213 -1.848 8.594 1.00 31.33 C ATOM 504 C TRP A 32 9.986 -1.116 8.062 1.00 31.32 C ATOM 505 O TRP A 32 9.462 -0.210 8.711 1.00 54.20 O ATOM 506 CB TRP A 32 12.487 -1.170 8.087 1.00 74.11 C ATOM 507 CG TRP A 32 13.714 -1.564 8.851 1.00 21.13 C ATOM 508 CD1 TRP A 32 13.772 -1.979 10.151 1.00 3.32 C ATOM 509 CD2 TRP A 32 15.060 -1.578 8.363 1.00 71.31 C ATOM 510 NE1 TRP A 32 15.073 -2.250 10.500 1.00 4.24 N ATOM 511 CE2 TRP A 32 15.882 -2.013 9.421 1.00 44.03 C ATOM 512 CE3 TRP A 32 15.650 -1.268 7.135 1.00 60.33 C ATOM 513 CZ2 TRP A 32 17.262 -2.143 9.285 1.00 30.04 C ATOM 514 CZ3 TRP A 32 17.019 -1.398 7.002 1.00 4.42 C ATOM 515 CH2 TRP A 32 17.813 -1.833 8.072 1.00 41.40 C ATOM 0 H TRP A 32 12.048 -3.572 7.738 1.00 13.24 H new ATOM 0 HA TRP A 32 11.195 -1.804 9.683 1.00 31.33 H new ATOM 0 HB2 TRP A 32 12.628 -1.418 7.035 1.00 74.11 H new ATOM 0 HB3 TRP A 32 12.363 -0.089 8.146 1.00 74.11 H new ATOM 0 HD1 TRP A 32 12.921 -2.079 10.808 1.00 3.32 H new ATOM 0 HE1 TRP A 32 15.386 -2.575 11.415 1.00 4.24 H new ATOM 0 HE3 TRP A 32 15.047 -0.933 6.304 1.00 60.33 H new ATOM 0 HZ2 TRP A 32 17.876 -2.477 10.109 1.00 30.04 H new ATOM 0 HZ3 TRP A 32 17.485 -1.160 6.057 1.00 4.42 H new ATOM 0 HH2 TRP A 32 18.880 -1.925 7.936 1.00 41.40 H new ATOM 526 N LEU A 33 9.532 -1.514 6.879 1.00 71.11 N ATOM 527 CA LEU A 33 8.365 -0.895 6.260 1.00 71.34 C ATOM 528 C LEU A 33 7.152 -0.976 7.181 1.00 22.32 C ATOM 529 O LEU A 33 6.383 -0.023 7.295 1.00 34.45 O ATOM 530 CB LEU A 33 8.052 -1.573 4.925 1.00 74.52 C ATOM 531 CG LEU A 33 9.049 -1.321 3.793 1.00 34.03 C ATOM 532 CD1 LEU A 33 8.683 -2.142 2.566 1.00 14.43 C ATOM 533 CD2 LEU A 33 9.102 0.161 3.450 1.00 73.40 C ATOM 0 H LEU A 33 9.954 -2.262 6.329 1.00 71.11 H new ATOM 0 HA LEU A 33 8.593 0.156 6.083 1.00 71.34 H new ATOM 0 HB2 LEU A 33 7.988 -2.648 5.093 1.00 74.52 H new ATOM 0 HB3 LEU A 33 7.067 -1.243 4.595 1.00 74.52 H new ATOM 0 HG LEU A 33 10.038 -1.631 4.130 1.00 34.03 H new ATOM 0 HD11 LEU A 33 9.404 -1.949 1.771 1.00 14.43 H new ATOM 0 HD12 LEU A 33 8.697 -3.202 2.820 1.00 14.43 H new ATOM 0 HD13 LEU A 33 7.685 -1.864 2.226 1.00 14.43 H new ATOM 0 HD21 LEU A 33 9.816 0.322 2.643 1.00 73.40 H new ATOM 0 HD22 LEU A 33 8.115 0.497 3.133 1.00 73.40 H new ATOM 0 HD23 LEU A 33 9.413 0.727 4.328 1.00 73.40 H new ATOM 545 N ASN A 34 6.990 -2.120 7.838 1.00 30.22 N ATOM 546 CA ASN A 34 5.872 -2.325 8.752 1.00 74.14 C ATOM 547 C ASN A 34 6.223 -1.849 10.158 1.00 44.23 C ATOM 548 O ASN A 34 5.353 -1.419 10.914 1.00 3.41 O ATOM 549 CB ASN A 34 5.478 -3.803 8.785 1.00 32.13 C ATOM 550 CG ASN A 34 4.840 -4.261 7.488 1.00 33.21 C ATOM 551 OD1 ASN A 34 3.675 -3.967 7.218 1.00 1.24 O ATOM 552 ND2 ASN A 34 5.602 -4.986 6.678 1.00 40.14 N ATOM 0 H ASN A 34 7.619 -2.919 7.755 1.00 30.22 H new ATOM 0 HA ASN A 34 5.028 -1.738 8.390 1.00 74.14 H new ATOM 0 HB2 ASN A 34 6.363 -4.408 8.985 1.00 32.13 H new ATOM 0 HB3 ASN A 34 4.784 -3.973 9.608 1.00 32.13 H new ATOM 0 HD21 ASN A 34 5.227 -5.323 5.791 1.00 40.14 H new ATOM 0 HD22 ASN A 34 6.562 -5.206 6.942 1.00 40.14 H new ATOM 559 N ALA A 35 7.505 -1.929 10.500 1.00 1.42 N ATOM 560 CA ALA A 35 7.973 -1.503 11.814 1.00 73.43 C ATOM 561 C ALA A 35 8.609 -0.119 11.748 1.00 33.14 C ATOM 562 O ALA A 35 9.705 0.096 12.263 1.00 64.22 O ATOM 563 CB ALA A 35 8.961 -2.515 12.375 1.00 44.24 C ATOM 0 H ALA A 35 8.238 -2.285 9.886 1.00 1.42 H new ATOM 0 HA ALA A 35 7.111 -1.446 12.479 1.00 73.43 H new ATOM 0 HB1 ALA A 35 9.302 -2.185 13.356 1.00 44.24 H new ATOM 0 HB2 ALA A 35 8.474 -3.486 12.468 1.00 44.24 H new ATOM 0 HB3 ALA A 35 9.815 -2.600 11.703 1.00 44.24 H new ATOM 569 N GLY A 36 7.913 0.818 11.111 1.00 33.32 N ATOM 570 CA GLY A 36 8.426 2.170 10.990 1.00 62.43 C ATOM 571 C GLY A 36 7.570 3.036 10.088 1.00 13.31 C ATOM 572 O GLY A 36 7.167 4.134 10.473 1.00 72.32 O ATOM 0 H GLY A 36 7.003 0.665 10.677 1.00 33.32 H new ATOM 0 HA2 GLY A 36 8.481 2.624 11.979 1.00 62.43 H new ATOM 0 HA3 GLY A 36 9.442 2.136 10.598 1.00 62.43 H new ATOM 576 N GLN A 37 7.293 2.544 8.885 1.00 32.42 N ATOM 577 CA GLN A 37 6.481 3.283 7.926 1.00 74.31 C ATOM 578 C GLN A 37 7.070 4.665 7.665 1.00 72.12 C ATOM 579 O GLN A 37 6.350 5.603 7.322 1.00 31.55 O ATOM 580 CB GLN A 37 5.045 3.415 8.437 1.00 52.35 C ATOM 581 CG GLN A 37 4.240 2.130 8.329 1.00 12.34 C ATOM 582 CD GLN A 37 2.819 2.287 8.835 1.00 5.54 C ATOM 583 OE1 GLN A 37 2.452 1.733 9.872 1.00 44.02 O ATOM 584 NE2 GLN A 37 2.011 3.047 8.105 1.00 61.52 N ATOM 0 H GLN A 37 7.619 1.637 8.551 1.00 32.42 H new ATOM 0 HA GLN A 37 6.476 2.728 6.988 1.00 74.31 H new ATOM 0 HB2 GLN A 37 5.067 3.734 9.479 1.00 52.35 H new ATOM 0 HB3 GLN A 37 4.539 4.199 7.874 1.00 52.35 H new ATOM 0 HG2 GLN A 37 4.217 1.806 7.288 1.00 12.34 H new ATOM 0 HG3 GLN A 37 4.739 1.344 8.896 1.00 12.34 H new ATOM 0 HE21 GLN A 37 2.357 3.487 7.252 1.00 61.52 H new ATOM 0 HE22 GLN A 37 1.044 3.191 8.397 1.00 61.52 H new ATOM 593 N ALA A 38 8.383 4.784 7.829 1.00 22.40 N ATOM 594 CA ALA A 38 9.069 6.051 7.609 1.00 21.14 C ATOM 595 C ALA A 38 10.121 5.923 6.513 1.00 24.22 C ATOM 596 O ALA A 38 10.246 4.874 5.879 1.00 2.53 O ATOM 597 CB ALA A 38 9.708 6.536 8.902 1.00 14.43 C ATOM 0 H ALA A 38 8.993 4.018 8.114 1.00 22.40 H new ATOM 0 HA ALA A 38 8.331 6.784 7.284 1.00 21.14 H new ATOM 0 HB1 ALA A 38 10.217 7.483 8.723 1.00 14.43 H new ATOM 0 HB2 ALA A 38 8.936 6.676 9.659 1.00 14.43 H new ATOM 0 HB3 ALA A 38 10.429 5.797 9.251 1.00 14.43 H new ATOM 603 N ILE A 39 10.875 6.995 6.295 1.00 51.13 N ATOM 604 CA ILE A 39 11.916 7.001 5.275 1.00 44.41 C ATOM 605 C ILE A 39 13.280 7.313 5.883 1.00 34.13 C ATOM 606 O ILE A 39 14.165 6.458 5.918 1.00 43.42 O ATOM 607 CB ILE A 39 11.614 8.028 4.168 1.00 41.42 C ATOM 608 CG1 ILE A 39 10.225 7.779 3.576 1.00 1.44 C ATOM 609 CG2 ILE A 39 12.677 7.965 3.082 1.00 65.34 C ATOM 610 CD1 ILE A 39 9.120 8.519 4.297 1.00 10.20 C ATOM 0 H ILE A 39 10.784 7.870 6.811 1.00 51.13 H new ATOM 0 HA ILE A 39 11.935 6.003 4.838 1.00 44.41 H new ATOM 0 HB ILE A 39 11.629 9.026 4.606 1.00 41.42 H new ATOM 0 HG12 ILE A 39 10.227 8.077 2.528 1.00 1.44 H new ATOM 0 HG13 ILE A 39 10.013 6.710 3.603 1.00 1.44 H new ATOM 0 HG21 ILE A 39 12.449 8.697 2.307 1.00 65.34 H new ATOM 0 HG22 ILE A 39 13.653 8.186 3.515 1.00 65.34 H new ATOM 0 HG23 ILE A 39 12.692 6.967 2.645 1.00 65.34 H new ATOM 0 HD11 ILE A 39 8.164 8.296 3.824 1.00 10.20 H new ATOM 0 HD12 ILE A 39 9.091 8.204 5.340 1.00 10.20 H new ATOM 0 HD13 ILE A 39 9.308 9.592 4.247 1.00 10.20 H new ATOM 622 N ASP A 40 13.440 8.541 6.364 1.00 60.13 N ATOM 623 CA ASP A 40 14.695 8.965 6.974 1.00 14.22 C ATOM 624 C ASP A 40 15.105 8.011 8.091 1.00 3.15 C ATOM 625 O ASP A 40 16.291 7.853 8.381 1.00 22.10 O ATOM 626 CB ASP A 40 14.564 10.387 7.523 1.00 63.10 C ATOM 627 CG ASP A 40 14.593 11.435 6.428 1.00 51.00 C ATOM 628 OD1 ASP A 40 15.478 11.353 5.551 1.00 43.13 O ATOM 629 OD2 ASP A 40 13.729 12.337 6.448 1.00 65.33 O ATOM 0 H ASP A 40 12.717 9.260 6.343 1.00 60.13 H new ATOM 0 HA ASP A 40 15.468 8.950 6.206 1.00 14.22 H new ATOM 0 HB2 ASP A 40 13.631 10.474 8.080 1.00 63.10 H new ATOM 0 HB3 ASP A 40 15.375 10.578 8.226 1.00 63.10 H new ATOM 634 N TRP A 41 14.118 7.379 8.715 1.00 13.33 N ATOM 635 CA TRP A 41 14.377 6.441 9.802 1.00 53.50 C ATOM 636 C TRP A 41 14.805 5.083 9.258 1.00 10.01 C ATOM 637 O TRP A 41 15.559 4.355 9.904 1.00 72.44 O ATOM 638 CB TRP A 41 13.131 6.285 10.676 1.00 41.21 C ATOM 639 CG TRP A 41 13.376 5.489 11.922 1.00 10.31 C ATOM 640 CD1 TRP A 41 13.971 5.927 13.071 1.00 52.43 C ATOM 641 CD2 TRP A 41 13.034 4.117 12.143 1.00 32.24 C ATOM 642 NE1 TRP A 41 14.019 4.910 13.993 1.00 60.22 N ATOM 643 CE2 TRP A 41 13.450 3.789 13.449 1.00 71.03 C ATOM 644 CE3 TRP A 41 12.415 3.134 11.367 1.00 33.51 C ATOM 645 CZ2 TRP A 41 13.267 2.520 13.991 1.00 30.22 C ATOM 646 CZ3 TRP A 41 12.234 1.874 11.907 1.00 42.31 C ATOM 647 CH2 TRP A 41 12.658 1.577 13.209 1.00 62.52 C ATOM 0 H TRP A 41 13.131 7.499 8.487 1.00 13.33 H new ATOM 0 HA TRP A 41 15.190 6.841 10.408 1.00 53.50 H new ATOM 0 HB2 TRP A 41 12.763 7.273 10.951 1.00 41.21 H new ATOM 0 HB3 TRP A 41 12.346 5.803 10.094 1.00 41.21 H new ATOM 0 HD1 TRP A 41 14.348 6.926 13.231 1.00 52.43 H new ATOM 0 HE1 TRP A 41 14.414 4.978 14.931 1.00 60.22 H new ATOM 0 HE3 TRP A 41 12.084 3.354 10.363 1.00 33.51 H new ATOM 0 HZ2 TRP A 41 13.594 2.288 14.994 1.00 30.22 H new ATOM 0 HZ3 TRP A 41 11.758 1.106 11.315 1.00 42.31 H new ATOM 0 HH2 TRP A 41 12.501 0.584 13.603 1.00 62.52 H new ATOM 658 N VAL A 42 14.320 4.747 8.067 1.00 51.41 N ATOM 659 CA VAL A 42 14.654 3.476 7.436 1.00 41.33 C ATOM 660 C VAL A 42 16.035 3.529 6.792 1.00 71.32 C ATOM 661 O VAL A 42 16.763 2.536 6.777 1.00 41.20 O ATOM 662 CB VAL A 42 13.615 3.091 6.366 1.00 22.50 C ATOM 663 CG1 VAL A 42 13.991 1.772 5.708 1.00 60.15 C ATOM 664 CG2 VAL A 42 12.225 3.013 6.978 1.00 54.11 C ATOM 0 H VAL A 42 13.694 5.338 7.520 1.00 51.41 H new ATOM 0 HA VAL A 42 14.652 2.721 8.222 1.00 41.33 H new ATOM 0 HB VAL A 42 13.606 3.864 5.598 1.00 22.50 H new ATOM 0 HG11 VAL A 42 13.246 1.516 4.955 1.00 60.15 H new ATOM 0 HG12 VAL A 42 14.968 1.867 5.234 1.00 60.15 H new ATOM 0 HG13 VAL A 42 14.029 0.987 6.463 1.00 60.15 H new ATOM 0 HG21 VAL A 42 11.503 2.740 6.208 1.00 54.11 H new ATOM 0 HG22 VAL A 42 12.216 2.261 7.767 1.00 54.11 H new ATOM 0 HG23 VAL A 42 11.958 3.982 7.398 1.00 54.11 H new ATOM 674 N VAL A 43 16.390 4.694 6.260 1.00 2.22 N ATOM 675 CA VAL A 43 17.685 4.877 5.616 1.00 41.53 C ATOM 676 C VAL A 43 18.795 5.040 6.648 1.00 13.33 C ATOM 677 O VAL A 43 19.947 4.688 6.397 1.00 21.12 O ATOM 678 CB VAL A 43 17.680 6.105 4.686 1.00 42.15 C ATOM 679 CG1 VAL A 43 19.011 6.230 3.959 1.00 73.11 C ATOM 680 CG2 VAL A 43 16.529 6.018 3.695 1.00 13.33 C ATOM 0 H VAL A 43 15.799 5.525 6.262 1.00 2.22 H new ATOM 0 HA VAL A 43 17.873 3.982 5.024 1.00 41.53 H new ATOM 0 HB VAL A 43 17.540 6.999 5.294 1.00 42.15 H new ATOM 0 HG11 VAL A 43 18.989 7.103 3.307 1.00 73.11 H new ATOM 0 HG12 VAL A 43 19.814 6.342 4.687 1.00 73.11 H new ATOM 0 HG13 VAL A 43 19.185 5.335 3.362 1.00 73.11 H new ATOM 0 HG21 VAL A 43 16.541 6.894 3.046 1.00 13.33 H new ATOM 0 HG22 VAL A 43 16.636 5.117 3.091 1.00 13.33 H new ATOM 0 HG23 VAL A 43 15.584 5.981 4.237 1.00 13.33 H new ATOM 690 N SER A 44 18.439 5.576 7.812 1.00 42.45 N ATOM 691 CA SER A 44 19.406 5.789 8.882 1.00 12.34 C ATOM 692 C SER A 44 20.059 4.474 9.294 1.00 63.51 C ATOM 693 O SER A 44 21.154 4.459 9.857 1.00 11.53 O ATOM 694 CB SER A 44 18.725 6.434 10.091 1.00 24.05 C ATOM 695 OG SER A 44 19.683 6.935 11.008 1.00 33.25 O ATOM 0 H SER A 44 17.489 5.870 8.037 1.00 42.45 H new ATOM 0 HA SER A 44 20.182 6.458 8.510 1.00 12.34 H new ATOM 0 HB2 SER A 44 18.077 7.245 9.758 1.00 24.05 H new ATOM 0 HB3 SER A 44 18.089 5.701 10.588 1.00 24.05 H new ATOM 0 HG SER A 44 19.223 7.344 11.771 1.00 33.25 H new ATOM 701 N LYS A 45 19.380 3.368 9.008 1.00 13.02 N ATOM 702 CA LYS A 45 19.892 2.045 9.346 1.00 1.52 C ATOM 703 C LYS A 45 20.627 1.428 8.161 1.00 22.40 C ATOM 704 O LYS A 45 20.752 0.206 8.065 1.00 43.31 O ATOM 705 CB LYS A 45 18.747 1.129 9.784 1.00 5.01 C ATOM 706 CG LYS A 45 18.419 1.231 11.263 1.00 34.05 C ATOM 707 CD LYS A 45 17.386 2.313 11.532 1.00 72.31 C ATOM 708 CE LYS A 45 15.980 1.736 11.603 1.00 62.02 C ATOM 709 NZ LYS A 45 15.427 1.454 10.249 1.00 25.32 N ATOM 0 H LYS A 45 18.473 3.362 8.542 1.00 13.02 H new ATOM 0 HA LYS A 45 20.596 2.155 10.171 1.00 1.52 H new ATOM 0 HB2 LYS A 45 17.856 1.373 9.205 1.00 5.01 H new ATOM 0 HB3 LYS A 45 19.008 0.097 9.548 1.00 5.01 H new ATOM 0 HG2 LYS A 45 18.044 0.272 11.620 1.00 34.05 H new ATOM 0 HG3 LYS A 45 19.328 1.447 11.824 1.00 34.05 H new ATOM 0 HD2 LYS A 45 17.621 2.817 12.469 1.00 72.31 H new ATOM 0 HD3 LYS A 45 17.432 3.066 10.745 1.00 72.31 H new ATOM 0 HE2 LYS A 45 15.994 0.817 12.188 1.00 62.02 H new ATOM 0 HE3 LYS A 45 15.326 2.436 12.124 1.00 62.02 H new ATOM 0 HZ1 LYS A 45 14.418 1.705 10.227 1.00 25.32 H new ATOM 0 HZ2 LYS A 45 15.939 2.017 9.541 1.00 25.32 H new ATOM 0 HZ3 LYS A 45 15.537 0.443 10.033 1.00 25.32 H new ATOM 723 N ILE A 46 21.112 2.278 7.263 1.00 42.12 N ATOM 724 CA ILE A 46 21.837 1.815 6.086 1.00 31.41 C ATOM 725 C ILE A 46 23.283 2.298 6.105 1.00 11.32 C ATOM 726 O ILE A 46 24.188 1.603 5.644 1.00 42.24 O ATOM 727 CB ILE A 46 21.164 2.293 4.786 1.00 43.51 C ATOM 728 CG1 ILE A 46 19.721 1.790 4.717 1.00 62.40 C ATOM 729 CG2 ILE A 46 21.955 1.820 3.575 1.00 12.13 C ATOM 730 CD1 ILE A 46 18.987 2.227 3.469 1.00 44.23 C ATOM 0 H ILE A 46 21.016 3.291 7.328 1.00 42.12 H new ATOM 0 HA ILE A 46 21.821 0.725 6.114 1.00 31.41 H new ATOM 0 HB ILE A 46 21.149 3.383 4.782 1.00 43.51 H new ATOM 0 HG12 ILE A 46 19.722 0.701 4.766 1.00 62.40 H new ATOM 0 HG13 ILE A 46 19.178 2.148 5.592 1.00 62.40 H new ATOM 0 HG21 ILE A 46 21.467 2.166 2.664 1.00 12.13 H new ATOM 0 HG22 ILE A 46 22.966 2.224 3.621 1.00 12.13 H new ATOM 0 HG23 ILE A 46 21.999 0.731 3.572 1.00 12.13 H new ATOM 0 HD11 ILE A 46 17.971 1.834 3.488 1.00 44.23 H new ATOM 0 HD12 ILE A 46 18.954 3.316 3.429 1.00 44.23 H new ATOM 0 HD13 ILE A 46 19.506 1.847 2.589 1.00 44.23 H new ATOM 742 N LYS A 47 23.494 3.494 6.644 1.00 13.40 N ATOM 743 CA LYS A 47 24.830 4.072 6.727 1.00 20.23 C ATOM 744 C LYS A 47 25.687 3.316 7.737 1.00 23.15 C ATOM 745 O LYS A 47 26.914 3.307 7.639 1.00 30.42 O ATOM 746 CB LYS A 47 24.746 5.549 7.118 1.00 42.11 C ATOM 747 CG LYS A 47 23.910 5.803 8.360 1.00 1.32 C ATOM 748 CD LYS A 47 22.821 6.830 8.099 1.00 51.12 C ATOM 749 CE LYS A 47 22.378 7.512 9.384 1.00 1.41 C ATOM 750 NZ LYS A 47 23.375 8.515 9.851 1.00 13.35 N ATOM 0 H LYS A 47 22.756 4.082 7.030 1.00 13.40 H new ATOM 0 HA LYS A 47 25.297 3.989 5.745 1.00 20.23 H new ATOM 0 HB2 LYS A 47 25.754 5.930 7.284 1.00 42.11 H new ATOM 0 HB3 LYS A 47 24.325 6.113 6.286 1.00 42.11 H new ATOM 0 HG2 LYS A 47 23.458 4.869 8.693 1.00 1.32 H new ATOM 0 HG3 LYS A 47 24.554 6.151 9.168 1.00 1.32 H new ATOM 0 HD2 LYS A 47 23.186 7.579 7.396 1.00 51.12 H new ATOM 0 HD3 LYS A 47 21.965 6.344 7.631 1.00 51.12 H new ATOM 0 HE2 LYS A 47 21.418 8.002 9.223 1.00 1.41 H new ATOM 0 HE3 LYS A 47 22.227 6.762 10.160 1.00 1.41 H new ATOM 0 HZ1 LYS A 47 22.961 9.086 10.615 1.00 13.35 H new ATOM 0 HZ2 LYS A 47 24.221 8.025 10.205 1.00 13.35 H new ATOM 0 HZ3 LYS A 47 23.640 9.135 9.060 1.00 13.35 H new ATOM 764 N GLN A 48 25.033 2.683 8.706 1.00 60.22 N ATOM 765 CA GLN A 48 25.737 1.924 9.733 1.00 73.32 C ATOM 766 C GLN A 48 26.078 0.523 9.236 1.00 32.43 C ATOM 767 O GLN A 48 27.025 -0.102 9.714 1.00 22.13 O ATOM 768 CB GLN A 48 24.888 1.835 11.003 1.00 44.34 C ATOM 769 CG GLN A 48 23.540 1.167 10.788 1.00 30.01 C ATOM 770 CD GLN A 48 22.960 0.598 12.068 1.00 4.12 C ATOM 771 OE1 GLN A 48 23.219 1.106 13.160 1.00 61.22 O ATOM 772 NE2 GLN A 48 22.171 -0.462 11.941 1.00 71.10 N ATOM 0 H GLN A 48 24.017 2.681 8.801 1.00 60.22 H new ATOM 0 HA GLN A 48 26.667 2.445 9.962 1.00 73.32 H new ATOM 0 HB2 GLN A 48 25.441 1.282 11.762 1.00 44.34 H new ATOM 0 HB3 GLN A 48 24.728 2.840 11.394 1.00 44.34 H new ATOM 0 HG2 GLN A 48 22.842 1.892 10.368 1.00 30.01 H new ATOM 0 HG3 GLN A 48 23.648 0.367 10.055 1.00 30.01 H new ATOM 0 HE21 GLN A 48 21.983 -0.850 11.017 1.00 71.10 H new ATOM 0 HE22 GLN A 48 21.752 -0.888 12.768 1.00 71.10 H new ATOM 781 N ILE A 49 25.300 0.035 8.276 1.00 71.02 N ATOM 782 CA ILE A 49 25.521 -1.292 7.715 1.00 74.04 C ATOM 783 C ILE A 49 26.687 -1.286 6.732 1.00 32.41 C ATOM 784 O ILE A 49 27.742 -1.862 7.001 1.00 71.55 O ATOM 785 CB ILE A 49 24.262 -1.816 6.998 1.00 65.53 C ATOM 786 CG1 ILE A 49 23.032 -1.647 7.891 1.00 52.21 C ATOM 787 CG2 ILE A 49 24.444 -3.276 6.609 1.00 62.12 C ATOM 788 CD1 ILE A 49 23.089 -2.468 9.160 1.00 15.21 C ATOM 0 H ILE A 49 24.511 0.539 7.870 1.00 71.02 H new ATOM 0 HA ILE A 49 25.756 -1.953 8.549 1.00 74.04 H new ATOM 0 HB ILE A 49 24.110 -1.234 6.089 1.00 65.53 H new ATOM 0 HG12 ILE A 49 22.925 -0.594 8.153 1.00 52.21 H new ATOM 0 HG13 ILE A 49 22.142 -1.926 7.327 1.00 52.21 H new ATOM 0 HG21 ILE A 49 23.547 -3.632 6.103 1.00 62.12 H new ATOM 0 HG22 ILE A 49 25.299 -3.370 5.940 1.00 62.12 H new ATOM 0 HG23 ILE A 49 24.617 -3.872 7.505 1.00 62.12 H new ATOM 0 HD11 ILE A 49 22.184 -2.298 9.744 1.00 15.21 H new ATOM 0 HD12 ILE A 49 23.164 -3.525 8.906 1.00 15.21 H new ATOM 0 HD13 ILE A 49 23.960 -2.173 9.746 1.00 15.21 H new ATOM 800 N LEU A 50 26.491 -0.631 5.594 1.00 54.34 N ATOM 801 CA LEU A 50 27.527 -0.548 4.570 1.00 11.52 C ATOM 802 C LEU A 50 28.590 0.476 4.954 1.00 4.40 C ATOM 803 O LEU A 50 29.761 0.138 5.121 1.00 21.44 O ATOM 804 CB LEU A 50 26.910 -0.177 3.220 1.00 32.34 C ATOM 805 CG LEU A 50 25.692 -0.996 2.792 1.00 73.40 C ATOM 806 CD1 LEU A 50 24.958 -0.305 1.653 1.00 35.54 C ATOM 807 CD2 LEU A 50 26.110 -2.401 2.384 1.00 25.43 C ATOM 0 H LEU A 50 25.624 -0.149 5.356 1.00 54.34 H new ATOM 0 HA LEU A 50 28.002 -1.526 4.489 1.00 11.52 H new ATOM 0 HB2 LEU A 50 26.624 0.874 3.250 1.00 32.34 H new ATOM 0 HB3 LEU A 50 27.678 -0.276 2.453 1.00 32.34 H new ATOM 0 HG LEU A 50 25.013 -1.073 3.641 1.00 73.40 H new ATOM 0 HD11 LEU A 50 24.094 -0.902 1.362 1.00 35.54 H new ATOM 0 HD12 LEU A 50 24.625 0.680 1.980 1.00 35.54 H new ATOM 0 HD13 LEU A 50 25.629 -0.197 0.801 1.00 35.54 H new ATOM 0 HD21 LEU A 50 25.230 -2.969 2.083 1.00 25.43 H new ATOM 0 HD22 LEU A 50 26.809 -2.345 1.550 1.00 25.43 H new ATOM 0 HD23 LEU A 50 26.591 -2.897 3.227 1.00 25.43 H new ATOM 819 N GLY A 51 28.173 1.731 5.094 1.00 44.20 N ATOM 820 CA GLY A 51 29.102 2.785 5.459 1.00 11.03 C ATOM 821 C GLY A 51 29.021 3.978 4.527 1.00 23.42 C ATOM 822 O GLY A 51 30.033 4.617 4.238 1.00 41.10 O ATOM 0 H GLY A 51 27.209 2.036 4.961 1.00 44.20 H new ATOM 0 HA2 GLY A 51 28.896 3.110 6.479 1.00 11.03 H new ATOM 0 HA3 GLY A 51 30.118 2.389 5.450 1.00 11.03 H new ATOM 826 N ILE A 52 27.816 4.277 4.055 1.00 60.23 N ATOM 827 CA ILE A 52 27.608 5.400 3.149 1.00 1.14 C ATOM 828 C ILE A 52 27.550 6.719 3.913 1.00 24.55 C ATOM 829 O ILE A 52 27.044 6.778 5.034 1.00 24.13 O ATOM 830 CB ILE A 52 26.311 5.234 2.335 1.00 4.41 C ATOM 831 CG1 ILE A 52 26.235 6.295 1.235 1.00 63.01 C ATOM 832 CG2 ILE A 52 25.098 5.322 3.248 1.00 13.42 C ATOM 833 CD1 ILE A 52 27.343 6.184 0.211 1.00 71.23 C ATOM 0 H ILE A 52 26.969 3.758 4.285 1.00 60.23 H new ATOM 0 HA ILE A 52 28.457 5.415 2.465 1.00 1.14 H new ATOM 0 HB ILE A 52 26.317 4.250 1.866 1.00 4.41 H new ATOM 0 HG12 ILE A 52 25.273 6.213 0.728 1.00 63.01 H new ATOM 0 HG13 ILE A 52 26.271 7.284 1.692 1.00 63.01 H new ATOM 0 HG21 ILE A 52 24.189 5.203 2.658 1.00 13.42 H new ATOM 0 HG22 ILE A 52 25.149 4.533 3.998 1.00 13.42 H new ATOM 0 HG23 ILE A 52 25.085 6.293 3.743 1.00 13.42 H new ATOM 0 HD11 ILE A 52 27.226 6.967 -0.538 1.00 71.23 H new ATOM 0 HD12 ILE A 52 28.308 6.296 0.705 1.00 71.23 H new ATOM 0 HD13 ILE A 52 27.294 5.209 -0.273 1.00 71.23 H new ATOM 845 N LYS A 53 28.071 7.775 3.299 1.00 54.42 N ATOM 846 CA LYS A 53 28.076 9.095 3.918 1.00 3.33 C ATOM 847 C LYS A 53 27.219 10.074 3.122 1.00 60.21 C ATOM 848 O LYS A 53 27.107 11.247 3.477 1.00 13.42 O ATOM 849 CB LYS A 53 29.508 9.625 4.025 1.00 1.10 C ATOM 850 CG LYS A 53 30.292 9.525 2.728 1.00 21.50 C ATOM 851 CD LYS A 53 31.394 10.569 2.660 1.00 20.42 C ATOM 852 CE LYS A 53 30.900 11.861 2.028 1.00 35.41 C ATOM 853 NZ LYS A 53 32.014 12.648 1.432 1.00 52.41 N ATOM 0 H LYS A 53 28.496 7.743 2.372 1.00 54.42 H new ATOM 0 HA LYS A 53 27.653 9.001 4.918 1.00 3.33 H new ATOM 0 HB2 LYS A 53 29.478 10.667 4.342 1.00 1.10 H new ATOM 0 HB3 LYS A 53 30.035 9.071 4.802 1.00 1.10 H new ATOM 0 HG2 LYS A 53 30.727 8.529 2.641 1.00 21.50 H new ATOM 0 HG3 LYS A 53 29.616 9.653 1.883 1.00 21.50 H new ATOM 0 HD2 LYS A 53 31.766 10.773 3.664 1.00 20.42 H new ATOM 0 HD3 LYS A 53 32.232 10.178 2.083 1.00 20.42 H new ATOM 0 HE2 LYS A 53 30.165 11.630 1.257 1.00 35.41 H new ATOM 0 HE3 LYS A 53 30.393 12.463 2.782 1.00 35.41 H new ATOM 0 HZ1 LYS A 53 31.636 13.521 1.012 1.00 52.41 H new ATOM 0 HZ2 LYS A 53 32.703 12.890 2.173 1.00 52.41 H new ATOM 0 HZ3 LYS A 53 32.482 12.083 0.695 1.00 52.41 H new TER 867 LYS A 53