USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=11 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 Set 1.1: A 14 TYR OH : rot 180:sc= 0.979 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -118:sc= 0.988 (180deg=-0.147) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.947 (180deg=-0.0735) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.117) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -166:sc=-0.00313 (180deg=-0.105) USER MOD Single : A 20 GLN : amide:sc= -0.483 K(o=-0.48,f=-1.5) USER MOD Single : A 25 ASN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 0.128 (180deg=0.127) USER MOD Single : A 28 LYS NZ :NH3+ -139:sc= -0.101 (180deg=-0.517) USER MOD Single : A 34 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.009) USER MOD Single : A 37 GLN :FLIP amide:sc= 0.504 F(o=-0.48,f=0.5) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.02 K(o=-1,f=-3.7!) USER MOD Single : A 53 LYS NZ :NH3+ -117:sc= -0.412 (180deg=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.848 -2.690 -0.085 1.00 25.11 N ATOM 2 CA MET A 1 2.337 -1.644 -0.976 1.00 31.11 C ATOM 3 C MET A 1 3.757 -1.947 -1.442 1.00 45.32 C ATOM 4 O MET A 1 4.366 -2.926 -1.012 1.00 43.03 O ATOM 5 CB MET A 1 2.297 -0.286 -0.273 1.00 52.10 C ATOM 6 CG MET A 1 3.155 -0.225 0.980 1.00 1.51 C ATOM 7 SD MET A 1 2.254 -0.714 2.463 1.00 4.04 S ATOM 8 CE MET A 1 3.492 -0.419 3.724 1.00 62.11 C ATOM 0 H1 MET A 1 0.903 -2.996 -0.394 1.00 25.11 H new ATOM 0 H2 MET A 1 2.500 -3.500 -0.110 1.00 25.11 H new ATOM 0 H3 MET A 1 1.792 -2.321 0.886 1.00 25.11 H new ATOM 0 HA MET A 1 1.686 -1.612 -1.850 1.00 31.11 H new ATOM 0 HB2 MET A 1 2.630 0.484 -0.969 1.00 52.10 H new ATOM 0 HB3 MET A 1 1.265 -0.053 -0.009 1.00 52.10 H new ATOM 0 HG2 MET A 1 4.021 -0.875 0.855 1.00 1.51 H new ATOM 0 HG3 MET A 1 3.534 0.789 1.107 1.00 1.51 H new ATOM 0 HE1 MET A 1 3.084 -0.675 4.702 1.00 62.11 H new ATOM 0 HE2 MET A 1 4.369 -1.035 3.524 1.00 62.11 H new ATOM 0 HE3 MET A 1 3.777 0.633 3.715 1.00 62.11 H new ATOM 18 N ALA A 2 4.279 -1.100 -2.324 1.00 22.03 N ATOM 19 CA ALA A 2 5.628 -1.277 -2.846 1.00 43.55 C ATOM 20 C ALA A 2 6.591 -0.265 -2.234 1.00 51.55 C ATOM 21 O ALA A 2 7.384 0.358 -2.940 1.00 33.02 O ATOM 22 CB ALA A 2 5.627 -1.156 -4.363 1.00 53.12 C ATOM 0 H ALA A 2 3.788 -0.285 -2.691 1.00 22.03 H new ATOM 0 HA ALA A 2 5.969 -2.275 -2.572 1.00 43.55 H new ATOM 0 HB1 ALA A 2 6.641 -1.290 -4.739 1.00 53.12 H new ATOM 0 HB2 ALA A 2 4.978 -1.921 -4.789 1.00 53.12 H new ATOM 0 HB3 ALA A 2 5.261 -0.170 -4.649 1.00 53.12 H new ATOM 28 N GLY A 3 6.515 -0.105 -0.917 1.00 5.44 N ATOM 29 CA GLY A 3 7.385 0.834 -0.232 1.00 43.12 C ATOM 30 C GLY A 3 8.848 0.621 -0.569 1.00 53.13 C ATOM 31 O GLY A 3 9.643 1.560 -0.535 1.00 24.01 O ATOM 0 H GLY A 3 5.867 -0.609 -0.312 1.00 5.44 H new ATOM 0 HA2 GLY A 3 7.098 1.851 -0.499 1.00 43.12 H new ATOM 0 HA3 GLY A 3 7.245 0.735 0.844 1.00 43.12 H new ATOM 35 N PHE A 4 9.204 -0.617 -0.895 1.00 20.14 N ATOM 36 CA PHE A 4 10.582 -0.951 -1.237 1.00 33.33 C ATOM 37 C PHE A 4 11.075 -0.099 -2.402 1.00 53.13 C ATOM 38 O PHE A 4 12.061 0.630 -2.280 1.00 75.54 O ATOM 39 CB PHE A 4 10.696 -2.435 -1.591 1.00 72.43 C ATOM 40 CG PHE A 4 12.095 -2.865 -1.930 1.00 12.14 C ATOM 41 CD1 PHE A 4 12.606 -2.667 -3.202 1.00 52.32 C ATOM 42 CD2 PHE A 4 12.899 -3.466 -0.975 1.00 71.40 C ATOM 43 CE1 PHE A 4 13.892 -3.062 -3.516 1.00 44.22 C ATOM 44 CE2 PHE A 4 14.187 -3.863 -1.283 1.00 74.31 C ATOM 45 CZ PHE A 4 14.684 -3.660 -2.555 1.00 42.32 C ATOM 0 H PHE A 4 8.558 -1.405 -0.930 1.00 20.14 H new ATOM 0 HA PHE A 4 11.207 -0.743 -0.368 1.00 33.33 H new ATOM 0 HB2 PHE A 4 10.335 -3.029 -0.751 1.00 72.43 H new ATOM 0 HB3 PHE A 4 10.043 -2.650 -2.437 1.00 72.43 H new ATOM 0 HD1 PHE A 4 11.992 -2.198 -3.957 1.00 52.32 H new ATOM 0 HD2 PHE A 4 12.515 -3.626 0.022 1.00 71.40 H new ATOM 0 HE1 PHE A 4 14.278 -2.903 -4.512 1.00 44.22 H new ATOM 0 HE2 PHE A 4 14.803 -4.331 -0.530 1.00 74.31 H new ATOM 0 HZ PHE A 4 15.690 -3.968 -2.798 1.00 42.32 H new ATOM 55 N LEU A 5 10.383 -0.196 -3.532 1.00 52.31 N ATOM 56 CA LEU A 5 10.749 0.566 -4.721 1.00 64.44 C ATOM 57 C LEU A 5 10.819 2.058 -4.413 1.00 23.34 C ATOM 58 O LEU A 5 11.539 2.807 -5.074 1.00 31.33 O ATOM 59 CB LEU A 5 9.742 0.312 -5.844 1.00 14.21 C ATOM 60 CG LEU A 5 9.890 -1.013 -6.593 1.00 3.41 C ATOM 61 CD1 LEU A 5 11.302 -1.162 -7.138 1.00 22.33 C ATOM 62 CD2 LEU A 5 9.541 -2.182 -5.683 1.00 52.44 C ATOM 0 H LEU A 5 9.566 -0.795 -3.650 1.00 52.31 H new ATOM 0 HA LEU A 5 11.736 0.235 -5.044 1.00 64.44 H new ATOM 0 HB2 LEU A 5 8.738 0.357 -5.421 1.00 14.21 H new ATOM 0 HB3 LEU A 5 9.821 1.125 -6.566 1.00 14.21 H new ATOM 0 HG LEU A 5 9.196 -1.013 -7.433 1.00 3.41 H new ATOM 0 HD11 LEU A 5 11.389 -2.110 -7.668 1.00 22.33 H new ATOM 0 HD12 LEU A 5 11.516 -0.342 -7.824 1.00 22.33 H new ATOM 0 HD13 LEU A 5 12.014 -1.140 -6.313 1.00 22.33 H new ATOM 0 HD21 LEU A 5 9.652 -3.117 -6.233 1.00 52.44 H new ATOM 0 HD22 LEU A 5 10.210 -2.186 -4.822 1.00 52.44 H new ATOM 0 HD23 LEU A 5 8.511 -2.082 -5.341 1.00 52.44 H new ATOM 74 N LYS A 6 10.069 2.483 -3.402 1.00 55.44 N ATOM 75 CA LYS A 6 10.047 3.885 -3.002 1.00 51.32 C ATOM 76 C LYS A 6 11.305 4.247 -2.219 1.00 42.15 C ATOM 77 O LYS A 6 12.027 5.177 -2.580 1.00 14.20 O ATOM 78 CB LYS A 6 8.806 4.176 -2.156 1.00 14.33 C ATOM 79 CG LYS A 6 7.528 3.583 -2.725 1.00 44.42 C ATOM 80 CD LYS A 6 6.311 4.407 -2.340 1.00 42.32 C ATOM 81 CE LYS A 6 6.041 5.509 -3.353 1.00 50.40 C ATOM 82 NZ LYS A 6 4.903 6.377 -2.939 1.00 24.41 N ATOM 0 H LYS A 6 9.468 1.876 -2.844 1.00 55.44 H new ATOM 0 HA LYS A 6 10.014 4.494 -3.905 1.00 51.32 H new ATOM 0 HB2 LYS A 6 8.962 3.784 -1.151 1.00 14.33 H new ATOM 0 HB3 LYS A 6 8.685 5.255 -2.062 1.00 14.33 H new ATOM 0 HG2 LYS A 6 7.603 3.529 -3.811 1.00 44.42 H new ATOM 0 HG3 LYS A 6 7.407 2.562 -2.363 1.00 44.42 H new ATOM 0 HD2 LYS A 6 5.439 3.757 -2.266 1.00 42.32 H new ATOM 0 HD3 LYS A 6 6.465 4.847 -1.355 1.00 42.32 H new ATOM 0 HE2 LYS A 6 6.937 6.118 -3.474 1.00 50.40 H new ATOM 0 HE3 LYS A 6 5.824 5.064 -4.324 1.00 50.40 H new ATOM 0 HZ1 LYS A 6 4.751 7.115 -3.656 1.00 24.41 H new ATOM 0 HZ2 LYS A 6 4.042 5.801 -2.848 1.00 24.41 H new ATOM 0 HZ3 LYS A 6 5.120 6.822 -2.024 1.00 24.41 H new ATOM 96 N VAL A 7 11.564 3.505 -1.147 1.00 55.22 N ATOM 97 CA VAL A 7 12.736 3.746 -0.315 1.00 43.41 C ATOM 98 C VAL A 7 14.022 3.584 -1.118 1.00 3.23 C ATOM 99 O VAL A 7 15.065 4.129 -0.756 1.00 64.11 O ATOM 100 CB VAL A 7 12.774 2.791 0.892 1.00 32.04 C ATOM 101 CG1 VAL A 7 11.594 3.052 1.817 1.00 60.55 C ATOM 102 CG2 VAL A 7 12.786 1.343 0.426 1.00 44.24 C ATOM 0 H VAL A 7 10.977 2.731 -0.834 1.00 55.22 H new ATOM 0 HA VAL A 7 12.662 4.772 0.046 1.00 43.41 H new ATOM 0 HB VAL A 7 13.691 2.976 1.451 1.00 32.04 H new ATOM 0 HG11 VAL A 7 11.638 2.368 2.664 1.00 60.55 H new ATOM 0 HG12 VAL A 7 11.635 4.080 2.178 1.00 60.55 H new ATOM 0 HG13 VAL A 7 10.663 2.896 1.272 1.00 60.55 H new ATOM 0 HG21 VAL A 7 12.813 0.682 1.292 1.00 44.24 H new ATOM 0 HG22 VAL A 7 11.887 1.141 -0.157 1.00 44.24 H new ATOM 0 HG23 VAL A 7 13.666 1.167 -0.192 1.00 44.24 H new ATOM 112 N VAL A 8 13.941 2.831 -2.210 1.00 54.42 N ATOM 113 CA VAL A 8 15.098 2.598 -3.066 1.00 54.22 C ATOM 114 C VAL A 8 15.284 3.738 -4.061 1.00 51.30 C ATOM 115 O VAL A 8 16.400 4.015 -4.500 1.00 52.11 O ATOM 116 CB VAL A 8 14.965 1.273 -3.840 1.00 24.11 C ATOM 117 CG1 VAL A 8 16.148 1.082 -4.778 1.00 34.22 C ATOM 118 CG2 VAL A 8 14.845 0.103 -2.875 1.00 41.01 C ATOM 0 H VAL A 8 13.086 2.372 -2.523 1.00 54.42 H new ATOM 0 HA VAL A 8 15.969 2.544 -2.413 1.00 54.22 H new ATOM 0 HB VAL A 8 14.057 1.313 -4.442 1.00 24.11 H new ATOM 0 HG11 VAL A 8 16.037 0.141 -5.316 1.00 34.22 H new ATOM 0 HG12 VAL A 8 16.184 1.906 -5.491 1.00 34.22 H new ATOM 0 HG13 VAL A 8 17.072 1.062 -4.199 1.00 34.22 H new ATOM 0 HG21 VAL A 8 14.752 -0.825 -3.439 1.00 41.01 H new ATOM 0 HG22 VAL A 8 15.734 0.058 -2.246 1.00 41.01 H new ATOM 0 HG23 VAL A 8 13.963 0.237 -2.248 1.00 41.01 H new ATOM 128 N GLN A 9 14.184 4.396 -4.411 1.00 54.35 N ATOM 129 CA GLN A 9 14.226 5.507 -5.355 1.00 42.11 C ATOM 130 C GLN A 9 15.104 6.637 -4.827 1.00 32.13 C ATOM 131 O GLN A 9 15.625 7.445 -5.597 1.00 30.40 O ATOM 132 CB GLN A 9 12.814 6.027 -5.627 1.00 53.23 C ATOM 133 CG GLN A 9 12.043 5.194 -6.639 1.00 11.04 C ATOM 134 CD GLN A 9 11.620 5.996 -7.854 1.00 32.43 C ATOM 135 OE1 GLN A 9 10.597 6.681 -7.835 1.00 33.45 O ATOM 136 NE2 GLN A 9 12.407 5.915 -8.920 1.00 71.52 N ATOM 0 H GLN A 9 13.253 4.179 -4.055 1.00 54.35 H new ATOM 0 HA GLN A 9 14.657 5.142 -6.287 1.00 42.11 H new ATOM 0 HB2 GLN A 9 12.258 6.051 -4.690 1.00 53.23 H new ATOM 0 HB3 GLN A 9 12.877 7.054 -5.987 1.00 53.23 H new ATOM 0 HG2 GLN A 9 12.661 4.355 -6.959 1.00 11.04 H new ATOM 0 HG3 GLN A 9 11.159 4.774 -6.160 1.00 11.04 H new ATOM 0 HE21 GLN A 9 13.246 5.335 -8.892 1.00 71.52 H new ATOM 0 HE22 GLN A 9 12.173 6.433 -9.767 1.00 71.52 H new ATOM 145 N LEU A 10 15.263 6.689 -3.509 1.00 21.41 N ATOM 146 CA LEU A 10 16.078 7.720 -2.877 1.00 10.34 C ATOM 147 C LEU A 10 17.560 7.371 -2.961 1.00 24.04 C ATOM 148 O LEU A 10 18.417 8.256 -2.988 1.00 61.53 O ATOM 149 CB LEU A 10 15.666 7.898 -1.414 1.00 42.02 C ATOM 150 CG LEU A 10 14.176 8.126 -1.159 1.00 51.24 C ATOM 151 CD1 LEU A 10 13.923 8.407 0.314 1.00 41.54 C ATOM 152 CD2 LEU A 10 13.657 9.269 -2.019 1.00 52.43 C ATOM 0 H LEU A 10 14.838 6.029 -2.857 1.00 21.41 H new ATOM 0 HA LEU A 10 15.914 8.656 -3.411 1.00 10.34 H new ATOM 0 HB2 LEU A 10 15.978 7.013 -0.859 1.00 42.02 H new ATOM 0 HB3 LEU A 10 16.218 8.743 -1.002 1.00 42.02 H new ATOM 0 HG LEU A 10 13.637 7.219 -1.432 1.00 51.24 H new ATOM 0 HD11 LEU A 10 12.857 8.567 0.476 1.00 41.54 H new ATOM 0 HD12 LEU A 10 14.257 7.557 0.909 1.00 41.54 H new ATOM 0 HD13 LEU A 10 14.473 9.299 0.614 1.00 41.54 H new ATOM 0 HD21 LEU A 10 12.595 9.417 -1.825 1.00 52.43 H new ATOM 0 HD22 LEU A 10 14.201 10.182 -1.778 1.00 52.43 H new ATOM 0 HD23 LEU A 10 13.803 9.027 -3.072 1.00 52.43 H new ATOM 164 N LEU A 11 17.856 6.077 -3.003 1.00 22.41 N ATOM 165 CA LEU A 11 19.236 5.609 -3.086 1.00 53.44 C ATOM 166 C LEU A 11 19.879 6.043 -4.400 1.00 0.34 C ATOM 167 O LEU A 11 21.103 6.061 -4.527 1.00 31.53 O ATOM 168 CB LEU A 11 19.288 4.086 -2.959 1.00 34.03 C ATOM 169 CG LEU A 11 19.285 3.531 -1.534 1.00 1.32 C ATOM 170 CD1 LEU A 11 20.482 4.055 -0.755 1.00 14.31 C ATOM 171 CD2 LEU A 11 17.987 3.888 -0.825 1.00 11.52 C ATOM 0 H LEU A 11 17.159 5.332 -2.981 1.00 22.41 H new ATOM 0 HA LEU A 11 19.795 6.055 -2.263 1.00 53.44 H new ATOM 0 HB2 LEU A 11 18.434 3.668 -3.492 1.00 34.03 H new ATOM 0 HB3 LEU A 11 20.186 3.730 -3.464 1.00 34.03 H new ATOM 0 HG LEU A 11 19.359 2.445 -1.587 1.00 1.32 H new ATOM 0 HD11 LEU A 11 20.463 3.650 0.257 1.00 14.31 H new ATOM 0 HD12 LEU A 11 21.402 3.748 -1.252 1.00 14.31 H new ATOM 0 HD13 LEU A 11 20.439 5.143 -0.711 1.00 14.31 H new ATOM 0 HD21 LEU A 11 18.003 3.485 0.188 1.00 11.52 H new ATOM 0 HD22 LEU A 11 17.882 4.972 -0.782 1.00 11.52 H new ATOM 0 HD23 LEU A 11 17.145 3.463 -1.372 1.00 11.52 H new ATOM 183 N ALA A 12 19.045 6.395 -5.373 1.00 5.20 N ATOM 184 CA ALA A 12 19.533 6.833 -6.675 1.00 11.41 C ATOM 185 C ALA A 12 20.575 7.937 -6.528 1.00 11.01 C ATOM 186 O ALA A 12 21.665 7.855 -7.093 1.00 45.04 O ATOM 187 CB ALA A 12 18.375 7.310 -7.539 1.00 13.11 C ATOM 0 H ALA A 12 18.029 6.385 -5.284 1.00 5.20 H new ATOM 0 HA ALA A 12 20.009 5.982 -7.162 1.00 11.41 H new ATOM 0 HB1 ALA A 12 18.754 7.634 -8.508 1.00 13.11 H new ATOM 0 HB2 ALA A 12 17.666 6.494 -7.681 1.00 13.11 H new ATOM 0 HB3 ALA A 12 17.874 8.144 -7.048 1.00 13.11 H new ATOM 193 N LYS A 13 20.232 8.970 -5.766 1.00 24.14 N ATOM 194 CA LYS A 13 21.138 10.091 -5.543 1.00 60.21 C ATOM 195 C LYS A 13 22.411 9.631 -4.839 1.00 74.22 C ATOM 196 O LYS A 13 23.487 10.187 -5.057 1.00 25.43 O ATOM 197 CB LYS A 13 20.447 11.175 -4.713 1.00 33.31 C ATOM 198 CG LYS A 13 20.242 10.789 -3.258 1.00 73.53 C ATOM 199 CD LYS A 13 21.382 11.283 -2.384 1.00 52.00 C ATOM 200 CE LYS A 13 21.124 12.693 -1.877 1.00 12.54 C ATOM 201 NZ LYS A 13 21.926 13.705 -2.619 1.00 11.35 N ATOM 0 H LYS A 13 19.333 9.054 -5.292 1.00 24.14 H new ATOM 0 HA LYS A 13 21.410 10.504 -6.514 1.00 60.21 H new ATOM 0 HB2 LYS A 13 21.040 12.088 -4.758 1.00 33.31 H new ATOM 0 HB3 LYS A 13 19.479 11.401 -5.160 1.00 33.31 H new ATOM 0 HG2 LYS A 13 19.301 11.205 -2.899 1.00 73.53 H new ATOM 0 HG3 LYS A 13 20.163 9.705 -3.176 1.00 73.53 H new ATOM 0 HD2 LYS A 13 21.511 10.609 -1.537 1.00 52.00 H new ATOM 0 HD3 LYS A 13 22.312 11.264 -2.952 1.00 52.00 H new ATOM 0 HE2 LYS A 13 20.064 12.926 -1.976 1.00 12.54 H new ATOM 0 HE3 LYS A 13 21.364 12.747 -0.815 1.00 12.54 H new ATOM 0 HZ1 LYS A 13 21.909 14.608 -2.103 1.00 11.35 H new ATOM 0 HZ2 LYS A 13 22.908 13.374 -2.706 1.00 11.35 H new ATOM 0 HZ3 LYS A 13 21.521 13.841 -3.567 1.00 11.35 H new ATOM 215 N TYR A 14 22.280 8.612 -3.997 1.00 12.35 N ATOM 216 CA TYR A 14 23.419 8.078 -3.260 1.00 44.42 C ATOM 217 C TYR A 14 24.389 7.366 -4.198 1.00 72.14 C ATOM 218 O TYR A 14 25.585 7.281 -3.926 1.00 5.33 O ATOM 219 CB TYR A 14 22.944 7.114 -2.172 1.00 52.21 C ATOM 220 CG TYR A 14 22.660 7.787 -0.848 1.00 50.53 C ATOM 221 CD1 TYR A 14 23.690 8.319 -0.082 1.00 15.40 C ATOM 222 CD2 TYR A 14 21.362 7.893 -0.364 1.00 74.55 C ATOM 223 CE1 TYR A 14 23.435 8.935 1.128 1.00 33.43 C ATOM 224 CE2 TYR A 14 21.097 8.507 0.844 1.00 2.41 C ATOM 225 CZ TYR A 14 22.137 9.026 1.587 1.00 41.41 C ATOM 226 OH TYR A 14 21.879 9.640 2.791 1.00 30.34 O ATOM 0 H TYR A 14 21.396 8.139 -3.808 1.00 12.35 H new ATOM 0 HA TYR A 14 23.940 8.913 -2.793 1.00 44.42 H new ATOM 0 HB2 TYR A 14 22.041 6.609 -2.515 1.00 52.21 H new ATOM 0 HB3 TYR A 14 23.702 6.345 -2.024 1.00 52.21 H new ATOM 0 HD1 TYR A 14 24.707 8.250 -0.439 1.00 15.40 H new ATOM 0 HD2 TYR A 14 20.545 7.488 -0.943 1.00 74.55 H new ATOM 0 HE1 TYR A 14 24.247 9.343 1.711 1.00 33.43 H new ATOM 0 HE2 TYR A 14 20.082 8.580 1.205 1.00 2.41 H new ATOM 0 HH TYR A 14 20.915 9.621 2.968 1.00 30.34 H new ATOM 236 N GLY A 15 23.862 6.855 -5.307 1.00 34.21 N ATOM 237 CA GLY A 15 24.693 6.156 -6.270 1.00 52.50 C ATOM 238 C GLY A 15 24.211 4.744 -6.535 1.00 62.11 C ATOM 239 O GLY A 15 23.088 4.387 -6.181 1.00 13.14 O ATOM 0 H GLY A 15 22.874 6.913 -5.555 1.00 34.21 H new ATOM 0 HA2 GLY A 15 24.706 6.714 -7.206 1.00 52.50 H new ATOM 0 HA3 GLY A 15 25.719 6.124 -5.904 1.00 52.50 H new ATOM 243 N SER A 16 25.062 3.938 -7.162 1.00 22.00 N ATOM 244 CA SER A 16 24.715 2.558 -7.480 1.00 21.24 C ATOM 245 C SER A 16 25.453 1.587 -6.563 1.00 1.25 C ATOM 246 O SER A 16 25.793 0.473 -6.962 1.00 11.21 O ATOM 247 CB SER A 16 25.048 2.249 -8.941 1.00 15.32 C ATOM 248 OG SER A 16 24.289 3.063 -9.819 1.00 22.10 O ATOM 0 H SER A 16 25.997 4.217 -7.460 1.00 22.00 H new ATOM 0 HA SER A 16 23.643 2.435 -7.325 1.00 21.24 H new ATOM 0 HB2 SER A 16 26.111 2.411 -9.117 1.00 15.32 H new ATOM 0 HB3 SER A 16 24.847 1.198 -9.149 1.00 15.32 H new ATOM 0 HG SER A 16 24.521 2.848 -10.747 1.00 22.10 H new ATOM 254 N LYS A 17 25.698 2.018 -5.330 1.00 4.41 N ATOM 255 CA LYS A 17 26.395 1.189 -4.353 1.00 52.52 C ATOM 256 C LYS A 17 25.484 0.854 -3.176 1.00 43.13 C ATOM 257 O LYS A 17 25.509 -0.262 -2.658 1.00 45.14 O ATOM 258 CB LYS A 17 27.652 1.904 -3.852 1.00 21.52 C ATOM 259 CG LYS A 17 28.753 0.956 -3.408 1.00 3.32 C ATOM 260 CD LYS A 17 28.572 0.530 -1.961 1.00 30.42 C ATOM 261 CE LYS A 17 29.143 1.561 -1.000 1.00 22.22 C ATOM 262 NZ LYS A 17 30.632 1.542 -0.987 1.00 42.53 N ATOM 0 H LYS A 17 25.424 2.937 -4.983 1.00 4.41 H new ATOM 0 HA LYS A 17 26.684 0.259 -4.842 1.00 52.52 H new ATOM 0 HB2 LYS A 17 28.035 2.547 -4.645 1.00 21.52 H new ATOM 0 HB3 LYS A 17 27.383 2.552 -3.018 1.00 21.52 H new ATOM 0 HG2 LYS A 17 28.757 0.075 -4.050 1.00 3.32 H new ATOM 0 HG3 LYS A 17 29.722 1.441 -3.527 1.00 3.32 H new ATOM 0 HD2 LYS A 17 27.512 0.386 -1.753 1.00 30.42 H new ATOM 0 HD3 LYS A 17 29.062 -0.430 -1.799 1.00 30.42 H new ATOM 0 HE2 LYS A 17 28.795 2.554 -1.284 1.00 22.22 H new ATOM 0 HE3 LYS A 17 28.768 1.367 0.005 1.00 22.22 H new ATOM 0 HZ1 LYS A 17 30.979 2.077 -0.165 1.00 42.53 H new ATOM 0 HZ2 LYS A 17 30.966 0.559 -0.927 1.00 42.53 H new ATOM 0 HZ3 LYS A 17 30.992 1.977 -1.860 1.00 42.53 H new ATOM 276 N ALA A 18 24.680 1.827 -2.760 1.00 43.01 N ATOM 277 CA ALA A 18 23.759 1.633 -1.647 1.00 4.31 C ATOM 278 C ALA A 18 22.439 1.037 -2.124 1.00 25.13 C ATOM 279 O ALA A 18 21.727 0.388 -1.358 1.00 21.04 O ATOM 280 CB ALA A 18 23.516 2.952 -0.928 1.00 31.22 C ATOM 0 H ALA A 18 24.648 2.757 -3.177 1.00 43.01 H new ATOM 0 HA ALA A 18 24.214 0.930 -0.949 1.00 4.31 H new ATOM 0 HB1 ALA A 18 22.826 2.793 -0.099 1.00 31.22 H new ATOM 0 HB2 ALA A 18 24.461 3.337 -0.545 1.00 31.22 H new ATOM 0 HB3 ALA A 18 23.086 3.672 -1.624 1.00 31.22 H new ATOM 286 N VAL A 19 22.118 1.262 -3.394 1.00 25.50 N ATOM 287 CA VAL A 19 20.884 0.746 -3.973 1.00 72.22 C ATOM 288 C VAL A 19 20.973 -0.758 -4.209 1.00 45.42 C ATOM 289 O VAL A 19 19.959 -1.453 -4.232 1.00 34.32 O ATOM 290 CB VAL A 19 20.554 1.445 -5.306 1.00 21.25 C ATOM 291 CG1 VAL A 19 21.624 1.145 -6.345 1.00 15.01 C ATOM 292 CG2 VAL A 19 19.181 1.020 -5.804 1.00 11.42 C ATOM 0 H VAL A 19 22.696 1.798 -4.041 1.00 25.50 H new ATOM 0 HA VAL A 19 20.089 0.952 -3.256 1.00 72.22 H new ATOM 0 HB VAL A 19 20.537 2.522 -5.138 1.00 21.25 H new ATOM 0 HG11 VAL A 19 21.374 1.647 -7.280 1.00 15.01 H new ATOM 0 HG12 VAL A 19 22.589 1.504 -5.987 1.00 15.01 H new ATOM 0 HG13 VAL A 19 21.676 0.069 -6.513 1.00 15.01 H new ATOM 0 HG21 VAL A 19 18.964 1.523 -6.746 1.00 11.42 H new ATOM 0 HG22 VAL A 19 19.168 -0.059 -5.957 1.00 11.42 H new ATOM 0 HG23 VAL A 19 18.426 1.291 -5.066 1.00 11.42 H new ATOM 302 N GLN A 20 22.195 -1.252 -4.384 1.00 11.20 N ATOM 303 CA GLN A 20 22.417 -2.674 -4.619 1.00 13.35 C ATOM 304 C GLN A 20 22.089 -3.489 -3.372 1.00 4.33 C ATOM 305 O GLN A 20 21.460 -4.543 -3.455 1.00 71.24 O ATOM 306 CB GLN A 20 23.866 -2.923 -5.039 1.00 42.31 C ATOM 307 CG GLN A 20 24.063 -4.221 -5.805 1.00 21.35 C ATOM 308 CD GLN A 20 24.331 -5.402 -4.892 1.00 3.30 C ATOM 309 OE1 GLN A 20 23.519 -6.322 -4.794 1.00 24.32 O ATOM 310 NE2 GLN A 20 25.475 -5.381 -4.218 1.00 22.31 N ATOM 0 H GLN A 20 23.045 -0.689 -4.367 1.00 11.20 H new ATOM 0 HA GLN A 20 21.754 -2.992 -5.424 1.00 13.35 H new ATOM 0 HB2 GLN A 20 24.204 -2.091 -5.657 1.00 42.31 H new ATOM 0 HB3 GLN A 20 24.496 -2.936 -4.150 1.00 42.31 H new ATOM 0 HG2 GLN A 20 23.175 -4.424 -6.404 1.00 21.35 H new ATOM 0 HG3 GLN A 20 24.896 -4.106 -6.499 1.00 21.35 H new ATOM 0 HE21 GLN A 20 26.119 -4.598 -4.330 1.00 22.31 H new ATOM 0 HE22 GLN A 20 25.710 -6.148 -3.588 1.00 22.31 H new ATOM 319 N TRP A 21 22.521 -2.993 -2.217 1.00 71.55 N ATOM 320 CA TRP A 21 22.274 -3.677 -0.953 1.00 12.32 C ATOM 321 C TRP A 21 20.793 -4.001 -0.790 1.00 30.13 C ATOM 322 O TRP A 21 20.416 -5.162 -0.632 1.00 24.01 O ATOM 323 CB TRP A 21 22.752 -2.816 0.218 1.00 52.45 C ATOM 324 CG TRP A 21 22.699 -3.525 1.537 1.00 43.40 C ATOM 325 CD1 TRP A 21 23.441 -4.607 1.916 1.00 71.02 C ATOM 326 CD2 TRP A 21 21.859 -3.202 2.650 1.00 1.14 C ATOM 327 NE1 TRP A 21 23.112 -4.977 3.198 1.00 43.42 N ATOM 328 CE2 TRP A 21 22.145 -4.130 3.671 1.00 41.11 C ATOM 329 CE3 TRP A 21 20.895 -2.218 2.886 1.00 73.34 C ATOM 330 CZ2 TRP A 21 21.500 -4.102 4.904 1.00 13.12 C ATOM 331 CZ3 TRP A 21 20.255 -2.192 4.110 1.00 31.11 C ATOM 332 CH2 TRP A 21 20.560 -3.128 5.107 1.00 31.21 C ATOM 0 H TRP A 21 23.043 -2.121 -2.130 1.00 71.55 H new ATOM 0 HA TRP A 21 22.833 -4.613 -0.959 1.00 12.32 H new ATOM 0 HB2 TRP A 21 23.776 -2.493 0.028 1.00 52.45 H new ATOM 0 HB3 TRP A 21 22.139 -1.916 0.272 1.00 52.45 H new ATOM 0 HD1 TRP A 21 24.178 -5.100 1.299 1.00 71.02 H new ATOM 0 HE1 TRP A 21 23.521 -5.756 3.714 1.00 43.42 H new ATOM 0 HE3 TRP A 21 20.655 -1.491 2.125 1.00 73.34 H new ATOM 0 HZ2 TRP A 21 21.733 -4.823 5.673 1.00 13.12 H new ATOM 0 HZ3 TRP A 21 19.507 -1.437 4.302 1.00 31.11 H new ATOM 0 HH2 TRP A 21 20.043 -3.080 6.054 1.00 31.21 H new ATOM 343 N ALA A 22 19.957 -2.968 -0.829 1.00 24.41 N ATOM 344 CA ALA A 22 18.517 -3.145 -0.688 1.00 25.03 C ATOM 345 C ALA A 22 17.996 -4.200 -1.658 1.00 10.33 C ATOM 346 O ALA A 22 17.229 -5.083 -1.275 1.00 31.20 O ATOM 347 CB ALA A 22 17.799 -1.822 -0.908 1.00 4.24 C ATOM 0 H ALA A 22 20.253 -2.000 -0.957 1.00 24.41 H new ATOM 0 HA ALA A 22 18.316 -3.491 0.326 1.00 25.03 H new ATOM 0 HB1 ALA A 22 16.724 -1.969 -0.800 1.00 4.24 H new ATOM 0 HB2 ALA A 22 18.142 -1.095 -0.172 1.00 4.24 H new ATOM 0 HB3 ALA A 22 18.016 -1.453 -1.910 1.00 4.24 H new ATOM 353 N TRP A 23 18.416 -4.101 -2.914 1.00 2.34 N ATOM 354 CA TRP A 23 17.990 -5.047 -3.939 1.00 2.33 C ATOM 355 C TRP A 23 18.484 -6.454 -3.620 1.00 42.53 C ATOM 356 O TRP A 23 17.869 -7.442 -4.018 1.00 71.15 O ATOM 357 CB TRP A 23 18.506 -4.610 -5.311 1.00 22.02 C ATOM 358 CG TRP A 23 17.554 -3.716 -6.047 1.00 21.44 C ATOM 359 CD1 TRP A 23 17.733 -2.395 -6.343 1.00 31.23 C ATOM 360 CD2 TRP A 23 16.275 -4.079 -6.577 1.00 53.10 C ATOM 361 NE1 TRP A 23 16.642 -1.915 -7.025 1.00 55.44 N ATOM 362 CE2 TRP A 23 15.733 -2.928 -7.183 1.00 4.14 C ATOM 363 CE3 TRP A 23 15.535 -5.264 -6.601 1.00 55.14 C ATOM 364 CZ2 TRP A 23 14.487 -2.930 -7.803 1.00 11.21 C ATOM 365 CZ3 TRP A 23 14.297 -5.264 -7.217 1.00 64.11 C ATOM 366 CH2 TRP A 23 13.784 -4.104 -7.812 1.00 11.23 C ATOM 0 H TRP A 23 19.051 -3.376 -3.247 1.00 2.34 H new ATOM 0 HA TRP A 23 16.900 -5.060 -3.956 1.00 2.33 H new ATOM 0 HB2 TRP A 23 19.457 -4.092 -5.185 1.00 22.02 H new ATOM 0 HB3 TRP A 23 18.703 -5.495 -5.916 1.00 22.02 H new ATOM 0 HD1 TRP A 23 18.604 -1.813 -6.080 1.00 31.23 H new ATOM 0 HE1 TRP A 23 16.527 -0.958 -7.360 1.00 55.44 H new ATOM 0 HE3 TRP A 23 15.923 -6.164 -6.147 1.00 55.14 H new ATOM 0 HZ2 TRP A 23 14.089 -2.037 -8.261 1.00 11.21 H new ATOM 0 HZ3 TRP A 23 13.716 -6.174 -7.240 1.00 64.11 H new ATOM 0 HH2 TRP A 23 12.815 -4.137 -8.287 1.00 11.23 H new ATOM 377 N ALA A 24 19.598 -6.536 -2.900 1.00 61.11 N ATOM 378 CA ALA A 24 20.173 -7.823 -2.527 1.00 13.44 C ATOM 379 C ALA A 24 19.452 -8.416 -1.321 1.00 22.31 C ATOM 380 O ALA A 24 18.792 -9.449 -1.427 1.00 64.21 O ATOM 381 CB ALA A 24 21.658 -7.672 -2.235 1.00 23.22 C ATOM 0 H ALA A 24 20.120 -5.727 -2.563 1.00 61.11 H new ATOM 0 HA ALA A 24 20.047 -8.507 -3.366 1.00 13.44 H new ATOM 0 HB1 ALA A 24 22.075 -8.640 -1.958 1.00 23.22 H new ATOM 0 HB2 ALA A 24 22.167 -7.299 -3.123 1.00 23.22 H new ATOM 0 HB3 ALA A 24 21.798 -6.969 -1.414 1.00 23.22 H new ATOM 387 N ASN A 25 19.584 -7.757 -0.175 1.00 1.33 N ATOM 388 CA ASN A 25 18.946 -8.221 1.052 1.00 2.30 C ATOM 389 C ASN A 25 17.428 -8.242 0.901 1.00 22.32 C ATOM 390 O ASN A 25 16.785 -7.195 0.829 1.00 1.23 O ATOM 391 CB ASN A 25 19.340 -7.324 2.227 1.00 5.03 C ATOM 392 CG ASN A 25 20.703 -7.677 2.792 1.00 11.21 C ATOM 393 OD1 ASN A 25 20.816 -8.133 3.930 1.00 4.41 O ATOM 394 ND2 ASN A 25 21.745 -7.467 1.997 1.00 44.32 N ATOM 0 H ASN A 25 20.127 -6.900 -0.070 1.00 1.33 H new ATOM 0 HA ASN A 25 19.288 -9.237 1.248 1.00 2.30 H new ATOM 0 HB2 ASN A 25 19.343 -6.284 1.901 1.00 5.03 H new ATOM 0 HB3 ASN A 25 18.590 -7.410 3.014 1.00 5.03 H new ATOM 0 HD21 ASN A 25 22.687 -7.685 2.322 1.00 44.32 H new ATOM 0 HD22 ASN A 25 21.604 -7.087 1.061 1.00 44.32 H new ATOM 401 N LYS A 26 16.861 -9.443 0.855 1.00 52.25 N ATOM 402 CA LYS A 26 15.418 -9.603 0.714 1.00 3.03 C ATOM 403 C LYS A 26 14.813 -10.208 1.977 1.00 12.40 C ATOM 404 O LYS A 26 15.209 -11.288 2.411 1.00 24.14 O ATOM 405 CB LYS A 26 15.098 -10.488 -0.492 1.00 74.12 C ATOM 406 CG LYS A 26 15.286 -9.788 -1.827 1.00 71.41 C ATOM 407 CD LYS A 26 14.571 -10.524 -2.948 1.00 12.00 C ATOM 408 CE LYS A 26 14.152 -9.574 -4.060 1.00 24.21 C ATOM 409 NZ LYS A 26 15.327 -9.036 -4.801 1.00 33.21 N ATOM 0 H LYS A 26 17.379 -10.320 0.913 1.00 52.25 H new ATOM 0 HA LYS A 26 14.981 -8.617 0.559 1.00 3.03 H new ATOM 0 HB2 LYS A 26 15.734 -11.372 -0.462 1.00 74.12 H new ATOM 0 HB3 LYS A 26 14.067 -10.834 -0.415 1.00 74.12 H new ATOM 0 HG2 LYS A 26 14.907 -8.768 -1.761 1.00 71.41 H new ATOM 0 HG3 LYS A 26 16.349 -9.719 -2.056 1.00 71.41 H new ATOM 0 HD2 LYS A 26 15.226 -11.295 -3.354 1.00 12.00 H new ATOM 0 HD3 LYS A 26 13.692 -11.030 -2.550 1.00 12.00 H new ATOM 0 HE2 LYS A 26 13.492 -10.095 -4.754 1.00 24.21 H new ATOM 0 HE3 LYS A 26 13.580 -8.748 -3.636 1.00 24.21 H new ATOM 0 HZ1 LYS A 26 15.002 -8.367 -5.528 1.00 33.21 H new ATOM 0 HZ2 LYS A 26 15.961 -8.546 -4.138 1.00 33.21 H new ATOM 0 HZ3 LYS A 26 15.839 -9.819 -5.255 1.00 33.21 H new ATOM 423 N GLY A 27 13.848 -9.503 2.561 1.00 21.34 N ATOM 424 CA GLY A 27 13.203 -9.988 3.768 1.00 53.54 C ATOM 425 C GLY A 27 13.762 -9.346 5.022 1.00 52.11 C ATOM 426 O GLY A 27 13.650 -9.901 6.115 1.00 3.23 O ATOM 0 H GLY A 27 13.502 -8.606 2.220 1.00 21.34 H new ATOM 0 HA2 GLY A 27 12.133 -9.791 3.709 1.00 53.54 H new ATOM 0 HA3 GLY A 27 13.325 -11.069 3.832 1.00 53.54 H new ATOM 430 N LYS A 28 14.367 -8.174 4.865 1.00 3.44 N ATOM 431 CA LYS A 28 14.947 -7.455 5.994 1.00 42.34 C ATOM 432 C LYS A 28 14.437 -6.018 6.043 1.00 2.13 C ATOM 433 O LYS A 28 13.895 -5.577 7.057 1.00 4.23 O ATOM 434 CB LYS A 28 16.475 -7.462 5.899 1.00 54.02 C ATOM 435 CG LYS A 28 17.168 -7.391 7.248 1.00 21.03 C ATOM 436 CD LYS A 28 17.617 -8.765 7.718 1.00 55.23 C ATOM 437 CE LYS A 28 16.437 -9.613 8.168 1.00 54.33 C ATOM 438 NZ LYS A 28 15.728 -9.005 9.328 1.00 74.32 N ATOM 0 H LYS A 28 14.469 -7.701 3.967 1.00 3.44 H new ATOM 0 HA LYS A 28 14.644 -7.962 6.910 1.00 42.34 H new ATOM 0 HB2 LYS A 28 16.794 -8.367 5.383 1.00 54.02 H new ATOM 0 HB3 LYS A 28 16.797 -6.617 5.290 1.00 54.02 H new ATOM 0 HG2 LYS A 28 18.031 -6.729 7.180 1.00 21.03 H new ATOM 0 HG3 LYS A 28 16.491 -6.957 7.984 1.00 21.03 H new ATOM 0 HD2 LYS A 28 18.144 -9.273 6.910 1.00 55.23 H new ATOM 0 HD3 LYS A 28 18.323 -8.656 8.541 1.00 55.23 H new ATOM 0 HE2 LYS A 28 15.740 -9.734 7.339 1.00 54.33 H new ATOM 0 HE3 LYS A 28 16.788 -10.609 8.438 1.00 54.33 H new ATOM 0 HZ1 LYS A 28 15.470 -9.750 10.007 1.00 74.32 H new ATOM 0 HZ2 LYS A 28 16.351 -8.314 9.792 1.00 74.32 H new ATOM 0 HZ3 LYS A 28 14.867 -8.526 8.996 1.00 74.32 H new ATOM 452 N ILE A 29 14.613 -5.294 4.943 1.00 30.20 N ATOM 453 CA ILE A 29 14.168 -3.909 4.862 1.00 50.55 C ATOM 454 C ILE A 29 12.646 -3.820 4.855 1.00 13.51 C ATOM 455 O ILE A 29 12.064 -2.904 5.438 1.00 12.23 O ATOM 456 CB ILE A 29 14.717 -3.214 3.601 1.00 30.12 C ATOM 457 CG1 ILE A 29 16.246 -3.259 3.593 1.00 63.01 C ATOM 458 CG2 ILE A 29 14.223 -1.777 3.531 1.00 44.20 C ATOM 459 CD1 ILE A 29 16.863 -2.610 2.374 1.00 62.34 C ATOM 0 H ILE A 29 15.061 -5.644 4.096 1.00 30.20 H new ATOM 0 HA ILE A 29 14.555 -3.401 5.745 1.00 50.55 H new ATOM 0 HB ILE A 29 14.352 -3.746 2.722 1.00 30.12 H new ATOM 0 HG12 ILE A 29 16.621 -2.762 4.488 1.00 63.01 H new ATOM 0 HG13 ILE A 29 16.571 -4.298 3.645 1.00 63.01 H new ATOM 0 HG21 ILE A 29 14.619 -1.299 2.635 1.00 44.20 H new ATOM 0 HG22 ILE A 29 13.134 -1.768 3.495 1.00 44.20 H new ATOM 0 HG23 ILE A 29 14.562 -1.232 4.412 1.00 44.20 H new ATOM 0 HD11 ILE A 29 17.949 -2.679 2.436 1.00 62.34 H new ATOM 0 HD12 ILE A 29 16.517 -3.121 1.475 1.00 62.34 H new ATOM 0 HD13 ILE A 29 16.568 -1.562 2.331 1.00 62.34 H new ATOM 471 N LEU A 30 12.006 -4.777 4.193 1.00 35.24 N ATOM 472 CA LEU A 30 10.549 -4.809 4.112 1.00 3.13 C ATOM 473 C LEU A 30 9.925 -4.736 5.502 1.00 53.11 C ATOM 474 O LEU A 30 8.815 -4.231 5.669 1.00 55.43 O ATOM 475 CB LEU A 30 10.086 -6.080 3.399 1.00 63.33 C ATOM 476 CG LEU A 30 10.130 -6.046 1.871 1.00 72.14 C ATOM 477 CD1 LEU A 30 9.250 -4.927 1.337 1.00 54.25 C ATOM 478 CD2 LEU A 30 11.561 -5.881 1.381 1.00 22.14 C ATOM 0 H LEU A 30 12.472 -5.541 3.704 1.00 35.24 H new ATOM 0 HA LEU A 30 10.222 -3.940 3.541 1.00 3.13 H new ATOM 0 HB2 LEU A 30 10.703 -6.910 3.742 1.00 63.33 H new ATOM 0 HB3 LEU A 30 9.063 -6.294 3.708 1.00 63.33 H new ATOM 0 HG LEU A 30 9.746 -6.994 1.495 1.00 72.14 H new ATOM 0 HD11 LEU A 30 9.294 -4.918 0.248 1.00 54.25 H new ATOM 0 HD12 LEU A 30 8.221 -5.089 1.658 1.00 54.25 H new ATOM 0 HD13 LEU A 30 9.604 -3.971 1.722 1.00 54.25 H new ATOM 0 HD21 LEU A 30 11.572 -5.859 0.291 1.00 22.14 H new ATOM 0 HD22 LEU A 30 11.973 -4.948 1.767 1.00 22.14 H new ATOM 0 HD23 LEU A 30 12.165 -6.717 1.733 1.00 22.14 H new ATOM 490 N ASP A 31 10.646 -5.242 6.496 1.00 1.53 N ATOM 491 CA ASP A 31 10.164 -5.231 7.873 1.00 44.23 C ATOM 492 C ASP A 31 10.120 -3.808 8.422 1.00 72.23 C ATOM 493 O ASP A 31 9.166 -3.424 9.099 1.00 44.52 O ATOM 494 CB ASP A 31 11.058 -6.103 8.755 1.00 22.52 C ATOM 495 CG ASP A 31 10.812 -7.584 8.543 1.00 20.34 C ATOM 496 OD1 ASP A 31 9.672 -8.036 8.779 1.00 74.24 O ATOM 497 OD2 ASP A 31 11.760 -8.291 8.142 1.00 75.33 O ATOM 0 H ASP A 31 11.566 -5.665 6.375 1.00 1.53 H new ATOM 0 HA ASP A 31 9.152 -5.636 7.881 1.00 44.23 H new ATOM 0 HB2 ASP A 31 12.103 -5.877 8.544 1.00 22.52 H new ATOM 0 HB3 ASP A 31 10.884 -5.855 9.802 1.00 22.52 H new ATOM 502 N TRP A 32 11.157 -3.033 8.126 1.00 12.02 N ATOM 503 CA TRP A 32 11.236 -1.653 8.591 1.00 2.14 C ATOM 504 C TRP A 32 10.035 -0.846 8.111 1.00 70.43 C ATOM 505 O TRP A 32 9.501 -0.013 8.844 1.00 75.13 O ATOM 506 CB TRP A 32 12.531 -1.002 8.103 1.00 25.21 C ATOM 507 CG TRP A 32 13.763 -1.599 8.714 1.00 61.44 C ATOM 508 CD1 TRP A 32 13.861 -2.208 9.932 1.00 4.55 C ATOM 509 CD2 TRP A 32 15.072 -1.644 8.134 1.00 13.53 C ATOM 510 NE1 TRP A 32 15.152 -2.627 10.146 1.00 44.01 N ATOM 511 CE2 TRP A 32 15.914 -2.294 9.057 1.00 1.33 C ATOM 512 CE3 TRP A 32 15.613 -1.199 6.925 1.00 23.13 C ATOM 513 CZ2 TRP A 32 17.267 -2.508 8.807 1.00 0.44 C ATOM 514 CZ3 TRP A 32 16.956 -1.412 6.679 1.00 43.21 C ATOM 515 CH2 TRP A 32 17.771 -2.062 7.616 1.00 53.14 C ATOM 0 H TRP A 32 11.954 -3.336 7.567 1.00 12.02 H new ATOM 0 HA TRP A 32 11.231 -1.663 9.681 1.00 2.14 H new ATOM 0 HB2 TRP A 32 12.590 -1.096 7.019 1.00 25.21 H new ATOM 0 HB3 TRP A 32 12.501 0.064 8.330 1.00 25.21 H new ATOM 0 HD1 TRP A 32 13.044 -2.341 10.625 1.00 4.55 H new ATOM 0 HE1 TRP A 32 15.489 -3.108 10.980 1.00 44.01 H new ATOM 0 HE3 TRP A 32 14.993 -0.698 6.196 1.00 23.13 H new ATOM 0 HZ2 TRP A 32 17.896 -3.008 9.528 1.00 0.44 H new ATOM 0 HZ3 TRP A 32 17.385 -1.072 5.748 1.00 43.21 H new ATOM 0 HH2 TRP A 32 18.817 -2.214 7.393 1.00 53.14 H new ATOM 526 N LEU A 33 9.614 -1.099 6.876 1.00 4.41 N ATOM 527 CA LEU A 33 8.475 -0.395 6.298 1.00 73.45 C ATOM 528 C LEU A 33 7.263 -0.470 7.221 1.00 72.23 C ATOM 529 O LEU A 33 6.429 0.434 7.241 1.00 0.11 O ATOM 530 CB LEU A 33 8.126 -0.987 4.930 1.00 10.45 C ATOM 531 CG LEU A 33 9.070 -0.626 3.783 1.00 53.23 C ATOM 532 CD1 LEU A 33 8.812 -1.519 2.579 1.00 23.11 C ATOM 533 CD2 LEU A 33 8.913 0.840 3.404 1.00 25.15 C ATOM 0 H LEU A 33 10.044 -1.786 6.257 1.00 4.41 H new ATOM 0 HA LEU A 33 8.750 0.652 6.175 1.00 73.45 H new ATOM 0 HB2 LEU A 33 8.097 -2.073 5.023 1.00 10.45 H new ATOM 0 HB3 LEU A 33 7.120 -0.663 4.662 1.00 10.45 H new ATOM 0 HG LEU A 33 10.095 -0.787 4.117 1.00 53.23 H new ATOM 0 HD11 LEU A 33 9.493 -1.248 1.772 1.00 23.11 H new ATOM 0 HD12 LEU A 33 8.975 -2.560 2.857 1.00 23.11 H new ATOM 0 HD13 LEU A 33 7.783 -1.390 2.244 1.00 23.11 H new ATOM 0 HD21 LEU A 33 9.593 1.079 2.586 1.00 25.15 H new ATOM 0 HD22 LEU A 33 7.886 1.026 3.089 1.00 25.15 H new ATOM 0 HD23 LEU A 33 9.148 1.466 4.265 1.00 25.15 H new ATOM 545 N ASN A 34 7.174 -1.554 7.985 1.00 14.10 N ATOM 546 CA ASN A 34 6.064 -1.746 8.912 1.00 24.12 C ATOM 547 C ASN A 34 6.439 -1.275 10.314 1.00 24.01 C ATOM 548 O ASN A 34 5.642 -0.635 10.999 1.00 72.40 O ATOM 549 CB ASN A 34 5.653 -3.219 8.950 1.00 25.41 C ATOM 550 CG ASN A 34 5.315 -3.761 7.575 1.00 53.34 C ATOM 551 OD1 ASN A 34 4.162 -3.719 7.145 1.00 14.45 O ATOM 552 ND2 ASN A 34 6.321 -4.273 6.876 1.00 23.12 N ATOM 0 H ASN A 34 7.856 -2.312 7.981 1.00 14.10 H new ATOM 0 HA ASN A 34 5.222 -1.150 8.560 1.00 24.12 H new ATOM 0 HB2 ASN A 34 6.463 -3.808 9.381 1.00 25.41 H new ATOM 0 HB3 ASN A 34 4.790 -3.336 9.606 1.00 25.41 H new ATOM 0 HD21 ASN A 34 6.154 -4.652 5.944 1.00 23.12 H new ATOM 0 HD22 ASN A 34 7.261 -4.288 7.271 1.00 23.12 H new ATOM 559 N ALA A 35 7.659 -1.596 10.734 1.00 50.44 N ATOM 560 CA ALA A 35 8.141 -1.203 12.052 1.00 30.21 C ATOM 561 C ALA A 35 8.794 0.174 12.010 1.00 13.44 C ATOM 562 O ALA A 35 10.018 0.293 12.046 1.00 54.51 O ATOM 563 CB ALA A 35 9.121 -2.238 12.585 1.00 10.22 C ATOM 0 H ALA A 35 8.331 -2.127 10.180 1.00 50.44 H new ATOM 0 HA ALA A 35 7.284 -1.149 12.724 1.00 30.21 H new ATOM 0 HB1 ALA A 35 9.473 -1.932 13.570 1.00 10.22 H new ATOM 0 HB2 ALA A 35 8.623 -3.205 12.662 1.00 10.22 H new ATOM 0 HB3 ALA A 35 9.969 -2.320 11.906 1.00 10.22 H new ATOM 569 N GLY A 36 7.968 1.214 11.934 1.00 33.41 N ATOM 570 CA GLY A 36 8.484 2.569 11.888 1.00 54.31 C ATOM 571 C GLY A 36 7.628 3.486 11.037 1.00 41.45 C ATOM 572 O GLY A 36 7.379 4.633 11.407 1.00 44.42 O ATOM 0 H GLY A 36 6.951 1.141 11.904 1.00 33.41 H new ATOM 0 HA2 GLY A 36 8.542 2.967 12.901 1.00 54.31 H new ATOM 0 HA3 GLY A 36 9.500 2.555 11.493 1.00 54.31 H new ATOM 576 N GLN A 37 7.179 2.981 9.893 1.00 74.34 N ATOM 577 CA GLN A 37 6.348 3.764 8.986 1.00 43.25 C ATOM 578 C GLN A 37 7.012 5.097 8.654 1.00 61.54 C ATOM 579 O GLN A 37 6.338 6.112 8.483 1.00 33.40 O ATOM 580 CB GLN A 37 4.970 4.008 9.604 1.00 63.55 C ATOM 581 CG GLN A 37 4.047 2.803 9.524 1.00 34.21 C ATOM 582 CD GLN A 37 3.602 2.501 8.107 1.00 71.23 C ATOM 583 OE1 GLN A 37 2.658 3.287 7.602 1.00 52.11 O flip ATOM 584 NE2 GLN A 37 4.101 1.571 7.472 1.00 61.20 N flip ATOM 0 H GLN A 37 7.377 2.033 9.572 1.00 74.34 H new ATOM 0 HA GLN A 37 6.229 3.197 8.063 1.00 43.25 H new ATOM 0 HB2 GLN A 37 5.094 4.291 10.649 1.00 63.55 H new ATOM 0 HB3 GLN A 37 4.498 4.851 9.099 1.00 63.55 H new ATOM 0 HG2 GLN A 37 4.557 1.931 9.934 1.00 34.21 H new ATOM 0 HG3 GLN A 37 3.170 2.980 10.146 1.00 34.21 H new ATOM 0 HE21 GLN A 37 4.824 0.992 7.899 1.00 61.20 H new ATOM 0 HE22 GLN A 37 3.791 1.380 6.519 1.00 61.20 H new ATOM 593 N ALA A 38 8.338 5.085 8.564 1.00 41.22 N ATOM 594 CA ALA A 38 9.093 6.292 8.251 1.00 51.23 C ATOM 595 C ALA A 38 10.249 5.987 7.305 1.00 62.42 C ATOM 596 O ALA A 38 10.625 4.828 7.123 1.00 2.23 O ATOM 597 CB ALA A 38 9.610 6.938 9.528 1.00 73.31 C ATOM 0 H ALA A 38 8.911 4.253 8.703 1.00 41.22 H new ATOM 0 HA ALA A 38 8.422 6.990 7.750 1.00 51.23 H new ATOM 0 HB1 ALA A 38 10.172 7.838 9.279 1.00 73.31 H new ATOM 0 HB2 ALA A 38 8.769 7.201 10.169 1.00 73.31 H new ATOM 0 HB3 ALA A 38 10.260 6.238 10.052 1.00 73.31 H new ATOM 603 N ILE A 39 10.808 7.032 6.704 1.00 24.24 N ATOM 604 CA ILE A 39 11.922 6.874 5.777 1.00 1.05 C ATOM 605 C ILE A 39 13.242 7.268 6.432 1.00 51.12 C ATOM 606 O ILE A 39 14.213 6.512 6.399 1.00 41.13 O ATOM 607 CB ILE A 39 11.720 7.719 4.506 1.00 62.13 C ATOM 608 CG1 ILE A 39 10.380 7.380 3.850 1.00 41.15 C ATOM 609 CG2 ILE A 39 12.866 7.491 3.531 1.00 10.21 C ATOM 610 CD1 ILE A 39 9.228 8.217 4.360 1.00 4.15 C ATOM 0 H ILE A 39 10.508 7.997 6.842 1.00 24.24 H new ATOM 0 HA ILE A 39 11.957 5.820 5.501 1.00 1.05 H new ATOM 0 HB ILE A 39 11.710 8.773 4.785 1.00 62.13 H new ATOM 0 HG12 ILE A 39 10.468 7.516 2.772 1.00 41.15 H new ATOM 0 HG13 ILE A 39 10.157 6.327 4.021 1.00 41.15 H new ATOM 0 HG21 ILE A 39 12.709 8.095 2.637 1.00 10.21 H new ATOM 0 HG22 ILE A 39 13.807 7.777 4.002 1.00 10.21 H new ATOM 0 HG23 ILE A 39 12.904 6.437 3.255 1.00 10.21 H new ATOM 0 HD11 ILE A 39 8.310 7.922 3.851 1.00 4.15 H new ATOM 0 HD12 ILE A 39 9.113 8.063 5.433 1.00 4.15 H new ATOM 0 HD13 ILE A 39 9.429 9.270 4.164 1.00 4.15 H new ATOM 622 N ASP A 40 13.269 8.455 7.027 1.00 3.24 N ATOM 623 CA ASP A 40 14.469 8.949 7.693 1.00 41.31 C ATOM 624 C ASP A 40 14.945 7.965 8.756 1.00 22.34 C ATOM 625 O ASP A 40 16.142 7.853 9.021 1.00 62.42 O ATOM 626 CB ASP A 40 14.200 10.315 8.328 1.00 64.52 C ATOM 627 CG ASP A 40 14.188 11.435 7.307 1.00 2.41 C ATOM 628 OD1 ASP A 40 15.281 11.839 6.856 1.00 54.24 O ATOM 629 OD2 ASP A 40 13.086 11.908 6.959 1.00 3.30 O ATOM 0 H ASP A 40 12.474 9.093 7.062 1.00 3.24 H new ATOM 0 HA ASP A 40 15.254 9.053 6.944 1.00 41.31 H new ATOM 0 HB2 ASP A 40 13.241 10.289 8.846 1.00 64.52 H new ATOM 0 HB3 ASP A 40 14.963 10.520 9.079 1.00 64.52 H new ATOM 634 N TRP A 41 14.001 7.255 9.363 1.00 72.01 N ATOM 635 CA TRP A 41 14.324 6.280 10.399 1.00 40.41 C ATOM 636 C TRP A 41 15.023 5.063 9.802 1.00 14.55 C ATOM 637 O TRP A 41 15.789 4.380 10.482 1.00 14.12 O ATOM 638 CB TRP A 41 13.055 5.846 11.133 1.00 14.23 C ATOM 639 CG TRP A 41 13.328 5.019 12.353 1.00 15.01 C ATOM 640 CD1 TRP A 41 13.477 5.471 13.633 1.00 30.11 C ATOM 641 CD2 TRP A 41 13.485 3.597 12.406 1.00 4.04 C ATOM 642 NE1 TRP A 41 13.718 4.415 14.479 1.00 3.31 N ATOM 643 CE2 TRP A 41 13.727 3.255 13.751 1.00 24.13 C ATOM 644 CE3 TRP A 41 13.444 2.579 11.450 1.00 53.33 C ATOM 645 CZ2 TRP A 41 13.928 1.939 14.160 1.00 52.12 C ATOM 646 CZ3 TRP A 41 13.643 1.274 11.857 1.00 61.12 C ATOM 647 CH2 TRP A 41 13.882 0.963 13.202 1.00 32.20 C ATOM 0 H TRP A 41 13.006 7.336 9.156 1.00 72.01 H new ATOM 0 HA TRP A 41 15.002 6.753 11.110 1.00 40.41 H new ATOM 0 HB2 TRP A 41 12.490 6.732 11.422 1.00 14.23 H new ATOM 0 HB3 TRP A 41 12.426 5.276 10.450 1.00 14.23 H new ATOM 0 HD1 TRP A 41 13.415 6.506 13.936 1.00 30.11 H new ATOM 0 HE1 TRP A 41 13.866 4.484 15.486 1.00 3.31 H new ATOM 0 HE3 TRP A 41 13.260 2.808 10.411 1.00 53.33 H new ATOM 0 HZ2 TRP A 41 14.114 1.697 15.196 1.00 52.12 H new ATOM 0 HZ3 TRP A 41 13.614 0.480 11.126 1.00 61.12 H new ATOM 0 HH2 TRP A 41 14.033 -0.067 13.488 1.00 32.20 H new ATOM 658 N VAL A 42 14.754 4.798 8.528 1.00 21.30 N ATOM 659 CA VAL A 42 15.359 3.663 7.840 1.00 54.31 C ATOM 660 C VAL A 42 16.732 4.025 7.285 1.00 12.04 C ATOM 661 O VAL A 42 17.707 3.302 7.491 1.00 74.30 O ATOM 662 CB VAL A 42 14.466 3.166 6.687 1.00 24.21 C ATOM 663 CG1 VAL A 42 15.127 2.001 5.965 1.00 14.20 C ATOM 664 CG2 VAL A 42 13.093 2.771 7.209 1.00 22.31 C ATOM 0 H VAL A 42 14.122 5.353 7.951 1.00 21.30 H new ATOM 0 HA VAL A 42 15.467 2.867 8.576 1.00 54.31 H new ATOM 0 HB VAL A 42 14.337 3.979 5.973 1.00 24.21 H new ATOM 0 HG11 VAL A 42 14.482 1.663 5.154 1.00 14.20 H new ATOM 0 HG12 VAL A 42 16.085 2.322 5.557 1.00 14.20 H new ATOM 0 HG13 VAL A 42 15.288 1.182 6.666 1.00 14.20 H new ATOM 0 HG21 VAL A 42 12.475 2.422 6.381 1.00 22.31 H new ATOM 0 HG22 VAL A 42 13.199 1.973 7.944 1.00 22.31 H new ATOM 0 HG23 VAL A 42 12.619 3.634 7.677 1.00 22.31 H new ATOM 674 N VAL A 43 16.802 5.150 6.581 1.00 10.20 N ATOM 675 CA VAL A 43 18.057 5.610 5.998 1.00 74.15 C ATOM 676 C VAL A 43 19.146 5.725 7.058 1.00 61.14 C ATOM 677 O VAL A 43 20.324 5.504 6.778 1.00 24.10 O ATOM 678 CB VAL A 43 17.886 6.974 5.303 1.00 72.25 C ATOM 679 CG1 VAL A 43 19.199 7.424 4.680 1.00 13.34 C ATOM 680 CG2 VAL A 43 16.786 6.903 4.254 1.00 60.11 C ATOM 0 H VAL A 43 16.005 5.760 6.400 1.00 10.20 H new ATOM 0 HA VAL A 43 18.353 4.867 5.257 1.00 74.15 H new ATOM 0 HB VAL A 43 17.595 7.710 6.052 1.00 72.25 H new ATOM 0 HG11 VAL A 43 19.059 8.389 4.194 1.00 13.34 H new ATOM 0 HG12 VAL A 43 19.958 7.516 5.457 1.00 13.34 H new ATOM 0 HG13 VAL A 43 19.522 6.690 3.942 1.00 13.34 H new ATOM 0 HG21 VAL A 43 16.679 7.875 3.773 1.00 60.11 H new ATOM 0 HG22 VAL A 43 17.045 6.154 3.505 1.00 60.11 H new ATOM 0 HG23 VAL A 43 15.845 6.629 4.731 1.00 60.11 H new ATOM 690 N SER A 44 18.744 6.072 8.276 1.00 23.32 N ATOM 691 CA SER A 44 19.687 6.219 9.379 1.00 40.52 C ATOM 692 C SER A 44 20.292 4.872 9.760 1.00 23.03 C ATOM 693 O SER A 44 21.385 4.806 10.324 1.00 34.35 O ATOM 694 CB SER A 44 18.992 6.841 10.592 1.00 62.01 C ATOM 695 OG SER A 44 19.781 6.698 11.760 1.00 22.23 O ATOM 0 H SER A 44 17.772 6.257 8.524 1.00 23.32 H new ATOM 0 HA SER A 44 20.491 6.879 9.052 1.00 40.52 H new ATOM 0 HB2 SER A 44 18.803 7.898 10.404 1.00 62.01 H new ATOM 0 HB3 SER A 44 18.023 6.366 10.743 1.00 62.01 H new ATOM 0 HG SER A 44 19.316 7.105 12.521 1.00 22.23 H new ATOM 701 N LYS A 45 19.574 3.798 9.448 1.00 3.41 N ATOM 702 CA LYS A 45 20.039 2.451 9.756 1.00 74.13 C ATOM 703 C LYS A 45 20.746 1.832 8.555 1.00 61.34 C ATOM 704 O LYS A 45 20.814 0.609 8.425 1.00 11.10 O ATOM 705 CB LYS A 45 18.862 1.568 10.179 1.00 43.21 C ATOM 706 CG LYS A 45 18.471 1.734 11.637 1.00 0.22 C ATOM 707 CD LYS A 45 19.454 1.034 12.561 1.00 15.42 C ATOM 708 CE LYS A 45 18.915 0.942 13.981 1.00 52.14 C ATOM 709 NZ LYS A 45 17.953 -0.184 14.137 1.00 55.44 N ATOM 0 H LYS A 45 18.667 3.835 8.982 1.00 3.41 H new ATOM 0 HA LYS A 45 20.750 2.518 10.579 1.00 74.13 H new ATOM 0 HB2 LYS A 45 18.001 1.800 9.552 1.00 43.21 H new ATOM 0 HB3 LYS A 45 19.118 0.524 9.997 1.00 43.21 H new ATOM 0 HG2 LYS A 45 18.429 2.795 11.885 1.00 0.22 H new ATOM 0 HG3 LYS A 45 17.471 1.330 11.795 1.00 0.22 H new ATOM 0 HD2 LYS A 45 19.660 0.033 12.183 1.00 15.42 H new ATOM 0 HD3 LYS A 45 20.400 1.575 12.564 1.00 15.42 H new ATOM 0 HE2 LYS A 45 19.744 0.810 14.676 1.00 52.14 H new ATOM 0 HE3 LYS A 45 18.424 1.879 14.244 1.00 52.14 H new ATOM 0 HZ1 LYS A 45 17.609 -0.213 15.118 1.00 55.44 H new ATOM 0 HZ2 LYS A 45 17.149 -0.046 13.492 1.00 55.44 H new ATOM 0 HZ3 LYS A 45 18.428 -1.081 13.910 1.00 55.44 H new ATOM 723 N ILE A 46 21.272 2.683 7.680 1.00 24.34 N ATOM 724 CA ILE A 46 21.977 2.218 6.492 1.00 52.11 C ATOM 725 C ILE A 46 23.428 2.687 6.495 1.00 71.34 C ATOM 726 O ILE A 46 24.310 2.016 5.959 1.00 60.44 O ATOM 727 CB ILE A 46 21.292 2.711 5.203 1.00 24.32 C ATOM 728 CG1 ILE A 46 19.843 2.225 5.152 1.00 75.30 C ATOM 729 CG2 ILE A 46 22.060 2.233 3.980 1.00 44.02 C ATOM 730 CD1 ILE A 46 19.071 2.748 3.961 1.00 44.53 C ATOM 0 H ILE A 46 21.223 3.698 7.772 1.00 24.34 H new ATOM 0 HA ILE A 46 21.950 1.129 6.515 1.00 52.11 H new ATOM 0 HB ILE A 46 21.290 3.801 5.204 1.00 24.32 H new ATOM 0 HG12 ILE A 46 19.835 1.135 5.130 1.00 75.30 H new ATOM 0 HG13 ILE A 46 19.334 2.529 6.067 1.00 75.30 H new ATOM 0 HG21 ILE A 46 21.564 2.589 3.077 1.00 44.02 H new ATOM 0 HG22 ILE A 46 23.077 2.624 4.014 1.00 44.02 H new ATOM 0 HG23 ILE A 46 22.090 1.143 3.972 1.00 44.02 H new ATOM 0 HD11 ILE A 46 18.052 2.362 3.990 1.00 44.53 H new ATOM 0 HD12 ILE A 46 19.048 3.837 3.992 1.00 44.53 H new ATOM 0 HD13 ILE A 46 19.556 2.422 3.041 1.00 44.53 H new ATOM 742 N LYS A 47 23.669 3.843 7.103 1.00 24.24 N ATOM 743 CA LYS A 47 25.014 4.402 7.180 1.00 71.41 C ATOM 744 C LYS A 47 25.909 3.545 8.069 1.00 24.03 C ATOM 745 O LYS A 47 27.132 3.562 7.933 1.00 23.10 O ATOM 746 CB LYS A 47 24.963 5.834 7.717 1.00 24.34 C ATOM 747 CG LYS A 47 24.536 6.858 6.680 1.00 32.24 C ATOM 748 CD LYS A 47 23.024 7.006 6.634 1.00 43.24 C ATOM 749 CE LYS A 47 22.614 8.437 6.318 1.00 22.52 C ATOM 750 NZ LYS A 47 23.302 8.956 5.103 1.00 34.45 N ATOM 0 H LYS A 47 22.950 4.412 7.550 1.00 24.24 H new ATOM 0 HA LYS A 47 25.435 4.413 6.174 1.00 71.41 H new ATOM 0 HB2 LYS A 47 24.272 5.873 8.559 1.00 24.34 H new ATOM 0 HB3 LYS A 47 25.947 6.105 8.099 1.00 24.34 H new ATOM 0 HG2 LYS A 47 24.990 7.822 6.910 1.00 32.24 H new ATOM 0 HG3 LYS A 47 24.903 6.559 5.698 1.00 32.24 H new ATOM 0 HD2 LYS A 47 22.614 6.334 5.880 1.00 43.24 H new ATOM 0 HD3 LYS A 47 22.599 6.707 7.592 1.00 43.24 H new ATOM 0 HE2 LYS A 47 21.535 8.482 6.171 1.00 22.52 H new ATOM 0 HE3 LYS A 47 22.847 9.078 7.169 1.00 22.52 H new ATOM 0 HZ1 LYS A 47 23.891 9.773 5.360 1.00 34.45 H new ATOM 0 HZ2 LYS A 47 23.903 8.210 4.699 1.00 34.45 H new ATOM 0 HZ3 LYS A 47 22.593 9.248 4.401 1.00 34.45 H new ATOM 764 N GLN A 48 25.292 2.797 8.978 1.00 73.33 N ATOM 765 CA GLN A 48 26.034 1.933 9.888 1.00 2.11 C ATOM 766 C GLN A 48 26.248 0.553 9.276 1.00 33.51 C ATOM 767 O GLN A 48 27.183 -0.160 9.640 1.00 25.32 O ATOM 768 CB GLN A 48 25.294 1.804 11.220 1.00 12.44 C ATOM 769 CG GLN A 48 23.914 1.181 11.092 1.00 75.54 C ATOM 770 CD GLN A 48 23.915 -0.306 11.387 1.00 63.41 C ATOM 771 OE1 GLN A 48 24.968 -0.946 11.407 1.00 15.20 O ATOM 772 NE2 GLN A 48 22.733 -0.866 11.618 1.00 4.34 N ATOM 0 H GLN A 48 24.280 2.772 9.104 1.00 73.33 H new ATOM 0 HA GLN A 48 27.009 2.387 10.065 1.00 2.11 H new ATOM 0 HB2 GLN A 48 25.894 1.201 11.902 1.00 12.44 H new ATOM 0 HB3 GLN A 48 25.197 2.792 11.669 1.00 12.44 H new ATOM 0 HG2 GLN A 48 23.228 1.683 11.775 1.00 75.54 H new ATOM 0 HG3 GLN A 48 23.537 1.347 10.083 1.00 75.54 H new ATOM 0 HE21 GLN A 48 21.886 -0.298 11.591 1.00 4.34 H new ATOM 0 HE22 GLN A 48 22.672 -1.864 11.822 1.00 4.34 H new ATOM 781 N ILE A 49 25.375 0.182 8.346 1.00 74.22 N ATOM 782 CA ILE A 49 25.469 -1.113 7.683 1.00 34.23 C ATOM 783 C ILE A 49 26.699 -1.183 6.785 1.00 22.24 C ATOM 784 O ILE A 49 27.675 -1.864 7.103 1.00 21.40 O ATOM 785 CB ILE A 49 24.214 -1.406 6.839 1.00 20.35 C ATOM 786 CG1 ILE A 49 22.963 -1.380 7.720 1.00 70.20 C ATOM 787 CG2 ILE A 49 24.348 -2.751 6.140 1.00 3.32 C ATOM 788 CD1 ILE A 49 22.992 -2.395 8.841 1.00 30.22 C ATOM 0 H ILE A 49 24.594 0.760 8.034 1.00 74.22 H new ATOM 0 HA ILE A 49 25.552 -1.864 8.469 1.00 34.23 H new ATOM 0 HB ILE A 49 24.116 -0.631 6.079 1.00 20.35 H new ATOM 0 HG12 ILE A 49 22.849 -0.383 8.146 1.00 70.20 H new ATOM 0 HG13 ILE A 49 22.087 -1.563 7.098 1.00 70.20 H new ATOM 0 HG21 ILE A 49 23.454 -2.944 5.548 1.00 3.32 H new ATOM 0 HG22 ILE A 49 25.220 -2.736 5.486 1.00 3.32 H new ATOM 0 HG23 ILE A 49 24.467 -3.538 6.885 1.00 3.32 H new ATOM 0 HD11 ILE A 49 22.074 -2.320 9.424 1.00 30.22 H new ATOM 0 HD12 ILE A 49 23.074 -3.398 8.422 1.00 30.22 H new ATOM 0 HD13 ILE A 49 23.849 -2.200 9.486 1.00 30.22 H new ATOM 800 N LEU A 50 26.647 -0.474 5.664 1.00 43.53 N ATOM 801 CA LEU A 50 27.759 -0.453 4.719 1.00 10.12 C ATOM 802 C LEU A 50 28.775 0.620 5.097 1.00 12.23 C ATOM 803 O LEU A 50 29.953 0.330 5.300 1.00 41.21 O ATOM 804 CB LEU A 50 27.244 -0.206 3.300 1.00 32.42 C ATOM 805 CG LEU A 50 25.934 -0.904 2.931 1.00 12.41 C ATOM 806 CD1 LEU A 50 25.459 -0.455 1.558 1.00 70.02 C ATOM 807 CD2 LEU A 50 26.104 -2.415 2.971 1.00 25.21 C ATOM 0 H LEU A 50 25.847 0.094 5.386 1.00 43.53 H new ATOM 0 HA LEU A 50 28.253 -1.424 4.756 1.00 10.12 H new ATOM 0 HB2 LEU A 50 27.111 0.867 3.165 1.00 32.42 H new ATOM 0 HB3 LEU A 50 28.013 -0.523 2.595 1.00 32.42 H new ATOM 0 HG LEU A 50 25.177 -0.625 3.664 1.00 12.41 H new ATOM 0 HD11 LEU A 50 24.526 -0.962 1.312 1.00 70.02 H new ATOM 0 HD12 LEU A 50 25.296 0.623 1.564 1.00 70.02 H new ATOM 0 HD13 LEU A 50 26.214 -0.704 0.812 1.00 70.02 H new ATOM 0 HD21 LEU A 50 25.162 -2.894 2.706 1.00 25.21 H new ATOM 0 HD22 LEU A 50 26.875 -2.713 2.261 1.00 25.21 H new ATOM 0 HD23 LEU A 50 26.397 -2.722 3.975 1.00 25.21 H new ATOM 819 N GLY A 51 28.309 1.862 5.192 1.00 32.15 N ATOM 820 CA GLY A 51 29.189 2.959 5.548 1.00 2.42 C ATOM 821 C GLY A 51 29.073 4.130 4.592 1.00 75.31 C ATOM 822 O GLY A 51 30.062 4.801 4.299 1.00 42.22 O ATOM 0 H GLY A 51 27.338 2.127 5.029 1.00 32.15 H new ATOM 0 HA2 GLY A 51 28.956 3.295 6.558 1.00 2.42 H new ATOM 0 HA3 GLY A 51 30.220 2.605 5.560 1.00 2.42 H new ATOM 826 N ILE A 52 27.861 4.374 4.103 1.00 23.22 N ATOM 827 CA ILE A 52 27.620 5.470 3.174 1.00 52.50 C ATOM 828 C ILE A 52 27.533 6.804 3.908 1.00 2.23 C ATOM 829 O ILE A 52 27.066 6.870 5.046 1.00 42.54 O ATOM 830 CB ILE A 52 26.323 5.254 2.372 1.00 60.30 C ATOM 831 CG1 ILE A 52 26.214 6.287 1.249 1.00 75.34 C ATOM 832 CG2 ILE A 52 25.113 5.332 3.291 1.00 72.24 C ATOM 833 CD1 ILE A 52 25.584 5.742 -0.014 1.00 62.33 C ATOM 0 H ILE A 52 27.032 3.827 4.335 1.00 23.22 H new ATOM 0 HA ILE A 52 28.465 5.491 2.485 1.00 52.50 H new ATOM 0 HB ILE A 52 26.351 4.261 1.924 1.00 60.30 H new ATOM 0 HG12 ILE A 52 25.627 7.135 1.602 1.00 75.34 H new ATOM 0 HG13 ILE A 52 27.210 6.664 1.015 1.00 75.34 H new ATOM 0 HG21 ILE A 52 24.204 5.177 2.710 1.00 72.24 H new ATOM 0 HG22 ILE A 52 25.189 4.561 4.058 1.00 72.24 H new ATOM 0 HG23 ILE A 52 25.078 6.313 3.764 1.00 72.24 H new ATOM 0 HD11 ILE A 52 25.539 6.529 -0.767 1.00 62.33 H new ATOM 0 HD12 ILE A 52 26.183 4.913 -0.391 1.00 62.33 H new ATOM 0 HD13 ILE A 52 24.576 5.391 0.205 1.00 62.33 H new ATOM 845 N LYS A 53 27.985 7.866 3.250 1.00 53.22 N ATOM 846 CA LYS A 53 27.956 9.200 3.837 1.00 1.42 C ATOM 847 C LYS A 53 26.831 10.036 3.235 1.00 33.24 C ATOM 848 O LYS A 53 27.079 11.025 2.545 1.00 24.32 O ATOM 849 CB LYS A 53 29.298 9.903 3.623 1.00 44.55 C ATOM 850 CG LYS A 53 30.495 9.075 4.057 1.00 1.33 C ATOM 851 CD LYS A 53 30.499 8.846 5.559 1.00 14.14 C ATOM 852 CE LYS A 53 30.987 10.076 6.310 1.00 65.44 C ATOM 853 NZ LYS A 53 29.876 11.019 6.613 1.00 72.05 N ATOM 0 H LYS A 53 28.376 7.828 2.309 1.00 53.22 H new ATOM 0 HA LYS A 53 27.774 9.095 4.907 1.00 1.42 H new ATOM 0 HB2 LYS A 53 29.403 10.153 2.567 1.00 44.55 H new ATOM 0 HB3 LYS A 53 29.298 10.843 4.175 1.00 44.55 H new ATOM 0 HG2 LYS A 53 30.480 8.115 3.542 1.00 1.33 H new ATOM 0 HG3 LYS A 53 31.415 9.581 3.763 1.00 1.33 H new ATOM 0 HD2 LYS A 53 29.493 8.591 5.892 1.00 14.14 H new ATOM 0 HD3 LYS A 53 31.139 7.996 5.797 1.00 14.14 H new ATOM 0 HE2 LYS A 53 31.465 9.768 7.240 1.00 65.44 H new ATOM 0 HE3 LYS A 53 31.745 10.587 5.716 1.00 65.44 H new ATOM 0 HZ1 LYS A 53 30.044 11.922 6.124 1.00 72.05 H new ATOM 0 HZ2 LYS A 53 28.976 10.611 6.288 1.00 72.05 H new ATOM 0 HZ3 LYS A 53 29.831 11.184 7.639 1.00 72.05 H new TER 867 LYS A 53