USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=8 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 -179:sc= 0 (180deg=-0.00201) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0 (180deg=-0.147) USER MOD Single : A 6 LYS NZ :NH3+ -140:sc= -0.291 (180deg=-2.14!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) 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=-0.00276 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.015) 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+ -165:sc= -0.0055 (180deg=-0.0965) USER MOD Single : A 34 ASN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 44 SER OG : rot 180:sc=-0.00836 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 159:sc= -0.351 (180deg=-1.01) USER MOD Single : A 48 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.3) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.043 -0.342 -2.699 1.00 14.14 N ATOM 2 CA MET A 1 1.368 -0.540 -1.291 1.00 1.21 C ATOM 3 C MET A 1 2.757 -1.150 -1.135 1.00 24.02 C ATOM 4 O MET A 1 2.955 -2.072 -0.344 1.00 2.32 O ATOM 5 CB MET A 1 0.325 -1.440 -0.626 1.00 61.30 C ATOM 6 CG MET A 1 0.122 -2.766 -1.342 1.00 11.23 C ATOM 7 SD MET A 1 -0.445 -4.072 -0.236 1.00 24.51 S ATOM 8 CE MET A 1 1.119 -4.742 0.326 1.00 13.22 C ATOM 0 H1 MET A 1 0.048 -0.055 -2.788 1.00 14.14 H new ATOM 0 H2 MET A 1 1.655 0.400 -3.095 1.00 14.14 H new ATOM 0 H3 MET A 1 1.195 -1.230 -3.219 1.00 14.14 H new ATOM 0 HA MET A 1 1.361 0.434 -0.802 1.00 1.21 H new ATOM 0 HB2 MET A 1 0.628 -1.635 0.403 1.00 61.30 H new ATOM 0 HB3 MET A 1 -0.626 -0.910 -0.583 1.00 61.30 H new ATOM 0 HG2 MET A 1 -0.604 -2.634 -2.144 1.00 11.23 H new ATOM 0 HG3 MET A 1 1.059 -3.071 -1.807 1.00 11.23 H new ATOM 0 HE1 MET A 1 0.935 -5.574 1.006 1.00 13.22 H new ATOM 0 HE2 MET A 1 1.693 -5.094 -0.531 1.00 13.22 H new ATOM 0 HE3 MET A 1 1.682 -3.966 0.845 1.00 13.22 H new ATOM 18 N ALA A 2 3.716 -0.630 -1.894 1.00 40.11 N ATOM 19 CA ALA A 2 5.087 -1.123 -1.838 1.00 53.32 C ATOM 20 C ALA A 2 6.043 -0.032 -1.369 1.00 5.01 C ATOM 21 O ALA A 2 6.349 0.901 -2.111 1.00 31.24 O ATOM 22 CB ALA A 2 5.513 -1.652 -3.200 1.00 3.35 C ATOM 0 H ALA A 2 3.569 0.133 -2.555 1.00 40.11 H new ATOM 0 HA ALA A 2 5.125 -1.938 -1.116 1.00 53.32 H new ATOM 0 HB1 ALA A 2 6.539 -2.017 -3.144 1.00 3.35 H new ATOM 0 HB2 ALA A 2 4.853 -2.468 -3.496 1.00 3.35 H new ATOM 0 HB3 ALA A 2 5.453 -0.851 -3.937 1.00 3.35 H new ATOM 28 N GLY A 3 6.513 -0.156 -0.131 1.00 43.51 N ATOM 29 CA GLY A 3 7.430 0.828 0.416 1.00 61.50 C ATOM 30 C GLY A 3 8.852 0.629 -0.072 1.00 15.23 C ATOM 31 O GLY A 3 9.650 1.567 -0.079 1.00 33.44 O ATOM 0 H GLY A 3 6.275 -0.919 0.502 1.00 43.51 H new ATOM 0 HA2 GLY A 3 7.092 1.827 0.142 1.00 61.50 H new ATOM 0 HA3 GLY A 3 7.411 0.772 1.504 1.00 61.50 H new ATOM 35 N PHE A 4 9.170 -0.595 -0.479 1.00 42.13 N ATOM 36 CA PHE A 4 10.506 -0.914 -0.968 1.00 64.14 C ATOM 37 C PHE A 4 10.925 0.049 -2.075 1.00 50.13 C ATOM 38 O PHE A 4 11.898 0.791 -1.933 1.00 50.04 O ATOM 39 CB PHE A 4 10.553 -2.354 -1.485 1.00 1.32 C ATOM 40 CG PHE A 4 11.821 -2.687 -2.218 1.00 1.23 C ATOM 41 CD1 PHE A 4 12.953 -3.086 -1.525 1.00 51.52 C ATOM 42 CD2 PHE A 4 11.881 -2.601 -3.599 1.00 43.44 C ATOM 43 CE1 PHE A 4 14.121 -3.393 -2.197 1.00 23.14 C ATOM 44 CE2 PHE A 4 13.047 -2.907 -4.276 1.00 74.31 C ATOM 45 CZ PHE A 4 14.168 -3.303 -3.574 1.00 3.11 C ATOM 0 H PHE A 4 8.521 -1.382 -0.480 1.00 42.13 H new ATOM 0 HA PHE A 4 11.204 -0.810 -0.137 1.00 64.14 H new ATOM 0 HB2 PHE A 4 10.439 -3.037 -0.644 1.00 1.32 H new ATOM 0 HB3 PHE A 4 9.705 -2.521 -2.149 1.00 1.32 H new ATOM 0 HD1 PHE A 4 12.922 -3.158 -0.448 1.00 51.52 H new ATOM 0 HD2 PHE A 4 11.007 -2.291 -4.153 1.00 43.44 H new ATOM 0 HE1 PHE A 4 14.996 -3.703 -1.645 1.00 23.14 H new ATOM 0 HE2 PHE A 4 13.081 -2.836 -5.353 1.00 74.31 H new ATOM 0 HZ PHE A 4 15.080 -3.542 -4.101 1.00 3.11 H new ATOM 55 N LEU A 5 10.184 0.032 -3.178 1.00 21.43 N ATOM 56 CA LEU A 5 10.477 0.903 -4.311 1.00 24.44 C ATOM 57 C LEU A 5 10.571 2.359 -3.868 1.00 11.24 C ATOM 58 O LEU A 5 11.262 3.166 -4.490 1.00 25.22 O ATOM 59 CB LEU A 5 9.400 0.753 -5.387 1.00 3.05 C ATOM 60 CG LEU A 5 9.462 -0.524 -6.225 1.00 32.43 C ATOM 61 CD1 LEU A 5 8.066 -1.090 -6.438 1.00 65.24 C ATOM 62 CD2 LEU A 5 10.140 -0.254 -7.560 1.00 20.11 C ATOM 0 H LEU A 5 9.376 -0.576 -3.312 1.00 21.43 H new ATOM 0 HA LEU A 5 11.440 0.606 -4.727 1.00 24.44 H new ATOM 0 HB2 LEU A 5 8.424 0.800 -4.905 1.00 3.05 H new ATOM 0 HB3 LEU A 5 9.465 1.608 -6.059 1.00 3.05 H new ATOM 0 HG LEU A 5 10.053 -1.263 -5.684 1.00 32.43 H new ATOM 0 HD11 LEU A 5 8.129 -1.999 -7.037 1.00 65.24 H new ATOM 0 HD12 LEU A 5 7.616 -1.322 -5.473 1.00 65.24 H new ATOM 0 HD13 LEU A 5 7.451 -0.355 -6.958 1.00 65.24 H new ATOM 0 HD21 LEU A 5 10.175 -1.174 -8.143 1.00 20.11 H new ATOM 0 HD22 LEU A 5 9.577 0.501 -8.108 1.00 20.11 H new ATOM 0 HD23 LEU A 5 11.155 0.105 -7.387 1.00 20.11 H new ATOM 74 N LYS A 6 9.872 2.690 -2.787 1.00 71.40 N ATOM 75 CA LYS A 6 9.878 4.048 -2.257 1.00 72.11 C ATOM 76 C LYS A 6 11.189 4.346 -1.538 1.00 25.44 C ATOM 77 O LYS A 6 11.839 5.358 -1.802 1.00 74.43 O ATOM 78 CB LYS A 6 8.701 4.249 -1.299 1.00 64.21 C ATOM 79 CG LYS A 6 8.151 5.664 -1.300 1.00 51.33 C ATOM 80 CD LYS A 6 7.179 5.886 -0.153 1.00 63.22 C ATOM 81 CE LYS A 6 7.911 6.180 1.148 1.00 75.42 C ATOM 82 NZ LYS A 6 8.185 4.938 1.923 1.00 72.25 N ATOM 0 H LYS A 6 9.294 2.035 -2.261 1.00 71.40 H new ATOM 0 HA LYS A 6 9.779 4.738 -3.095 1.00 72.11 H new ATOM 0 HB2 LYS A 6 7.902 3.558 -1.568 1.00 64.21 H new ATOM 0 HB3 LYS A 6 9.018 3.992 -0.288 1.00 64.21 H new ATOM 0 HG2 LYS A 6 8.974 6.375 -1.224 1.00 51.33 H new ATOM 0 HG3 LYS A 6 7.648 5.859 -2.247 1.00 51.33 H new ATOM 0 HD2 LYS A 6 6.514 6.716 -0.393 1.00 63.22 H new ATOM 0 HD3 LYS A 6 6.554 5.002 -0.028 1.00 63.22 H new ATOM 0 HE2 LYS A 6 8.851 6.686 0.929 1.00 75.42 H new ATOM 0 HE3 LYS A 6 7.315 6.862 1.754 1.00 75.42 H new ATOM 0 HZ1 LYS A 6 8.030 5.119 2.935 1.00 72.25 H new ATOM 0 HZ2 LYS A 6 7.545 4.182 1.605 1.00 72.25 H new ATOM 0 HZ3 LYS A 6 9.171 4.644 1.771 1.00 72.25 H new ATOM 96 N VAL A 7 11.575 3.457 -0.627 1.00 70.35 N ATOM 97 CA VAL A 7 12.811 3.623 0.128 1.00 13.12 C ATOM 98 C VAL A 7 14.031 3.456 -0.770 1.00 70.23 C ATOM 99 O VAL A 7 15.104 3.986 -0.483 1.00 42.22 O ATOM 100 CB VAL A 7 12.899 2.614 1.289 1.00 42.33 C ATOM 101 CG1 VAL A 7 11.799 2.874 2.307 1.00 64.31 C ATOM 102 CG2 VAL A 7 12.824 1.189 0.762 1.00 1.10 C ATOM 0 H VAL A 7 11.049 2.615 -0.394 1.00 70.35 H new ATOM 0 HA VAL A 7 12.800 4.634 0.535 1.00 13.12 H new ATOM 0 HB VAL A 7 13.860 2.742 1.788 1.00 42.33 H new ATOM 0 HG11 VAL A 7 11.877 2.152 3.120 1.00 64.31 H new ATOM 0 HG12 VAL A 7 11.904 3.883 2.707 1.00 64.31 H new ATOM 0 HG13 VAL A 7 10.826 2.774 1.825 1.00 64.31 H new ATOM 0 HG21 VAL A 7 12.888 0.489 1.595 1.00 1.10 H new ATOM 0 HG22 VAL A 7 11.879 1.044 0.238 1.00 1.10 H new ATOM 0 HG23 VAL A 7 13.651 1.011 0.075 1.00 1.10 H new ATOM 112 N VAL A 8 13.859 2.715 -1.860 1.00 63.24 N ATOM 113 CA VAL A 8 14.946 2.478 -2.803 1.00 42.41 C ATOM 114 C VAL A 8 15.193 3.704 -3.676 1.00 23.14 C ATOM 115 O VAL A 8 16.291 3.894 -4.198 1.00 3.34 O ATOM 116 CB VAL A 8 14.650 1.268 -3.709 1.00 3.22 C ATOM 117 CG1 VAL A 8 15.739 1.108 -4.758 1.00 65.44 C ATOM 118 CG2 VAL A 8 14.509 0.002 -2.877 1.00 3.51 C ATOM 0 H VAL A 8 12.977 2.268 -2.112 1.00 63.24 H new ATOM 0 HA VAL A 8 15.838 2.270 -2.212 1.00 42.41 H new ATOM 0 HB VAL A 8 13.706 1.444 -4.224 1.00 3.22 H new ATOM 0 HG11 VAL A 8 15.513 0.248 -5.389 1.00 65.44 H new ATOM 0 HG12 VAL A 8 15.787 2.007 -5.373 1.00 65.44 H new ATOM 0 HG13 VAL A 8 16.699 0.954 -4.265 1.00 65.44 H new ATOM 0 HG21 VAL A 8 14.300 -0.843 -3.533 1.00 3.51 H new ATOM 0 HG22 VAL A 8 15.436 -0.181 -2.333 1.00 3.51 H new ATOM 0 HG23 VAL A 8 13.690 0.122 -2.168 1.00 3.51 H new ATOM 128 N GLN A 9 14.165 4.532 -3.828 1.00 72.23 N ATOM 129 CA GLN A 9 14.271 5.740 -4.638 1.00 71.32 C ATOM 130 C GLN A 9 15.310 6.694 -4.059 1.00 63.21 C ATOM 131 O GLN A 9 15.869 7.528 -4.773 1.00 71.21 O ATOM 132 CB GLN A 9 12.914 6.439 -4.729 1.00 14.22 C ATOM 133 CG GLN A 9 11.975 5.816 -5.749 1.00 33.51 C ATOM 134 CD GLN A 9 12.088 6.459 -7.117 1.00 3.23 C ATOM 135 OE1 GLN A 9 12.742 5.926 -8.014 1.00 11.30 O ATOM 136 NE2 GLN A 9 11.451 7.612 -7.284 1.00 33.04 N ATOM 0 H GLN A 9 13.250 4.389 -3.401 1.00 72.23 H new ATOM 0 HA GLN A 9 14.590 5.449 -5.639 1.00 71.32 H new ATOM 0 HB2 GLN A 9 12.438 6.418 -3.749 1.00 14.22 H new ATOM 0 HB3 GLN A 9 13.071 7.487 -4.985 1.00 14.22 H new ATOM 0 HG2 GLN A 9 12.192 4.751 -5.834 1.00 33.51 H new ATOM 0 HG3 GLN A 9 10.948 5.905 -5.394 1.00 33.51 H new ATOM 0 HE21 GLN A 9 10.921 8.018 -6.513 1.00 33.04 H new ATOM 0 HE22 GLN A 9 11.492 8.092 -8.183 1.00 33.04 H new ATOM 145 N LEU A 10 15.565 6.566 -2.762 1.00 1.33 N ATOM 146 CA LEU A 10 16.538 7.418 -2.086 1.00 32.23 C ATOM 147 C LEU A 10 17.962 6.966 -2.391 1.00 43.25 C ATOM 148 O LEU A 10 18.920 7.712 -2.181 1.00 61.34 O ATOM 149 CB LEU A 10 16.298 7.400 -0.575 1.00 61.20 C ATOM 150 CG LEU A 10 15.166 8.292 -0.064 1.00 61.13 C ATOM 151 CD1 LEU A 10 15.413 9.742 -0.452 1.00 73.41 C ATOM 152 CD2 LEU A 10 13.826 7.814 -0.604 1.00 12.22 C ATOM 0 H LEU A 10 15.112 5.881 -2.157 1.00 1.33 H new ATOM 0 HA LEU A 10 16.412 8.436 -2.456 1.00 32.23 H new ATOM 0 HB2 LEU A 10 16.089 6.374 -0.273 1.00 61.20 H new ATOM 0 HB3 LEU A 10 17.221 7.698 -0.077 1.00 61.20 H new ATOM 0 HG LEU A 10 15.141 8.228 1.024 1.00 61.13 H new ATOM 0 HD11 LEU A 10 14.597 10.362 -0.080 1.00 73.41 H new ATOM 0 HD12 LEU A 10 16.353 10.080 -0.017 1.00 73.41 H new ATOM 0 HD13 LEU A 10 15.465 9.824 -1.538 1.00 73.41 H new ATOM 0 HD21 LEU A 10 13.032 8.460 -0.230 1.00 12.22 H new ATOM 0 HD22 LEU A 10 13.839 7.849 -1.693 1.00 12.22 H new ATOM 0 HD23 LEU A 10 13.646 6.790 -0.276 1.00 12.22 H new ATOM 164 N LEU A 11 18.095 5.742 -2.891 1.00 11.35 N ATOM 165 CA LEU A 11 19.403 5.191 -3.228 1.00 52.32 C ATOM 166 C LEU A 11 19.841 5.641 -4.618 1.00 41.51 C ATOM 167 O LEU A 11 20.164 4.819 -5.475 1.00 11.04 O ATOM 168 CB LEU A 11 19.367 3.663 -3.162 1.00 50.52 C ATOM 169 CG LEU A 11 19.488 3.049 -1.767 1.00 70.23 C ATOM 170 CD1 LEU A 11 20.791 3.474 -1.108 1.00 14.23 C ATOM 171 CD2 LEU A 11 18.298 3.444 -0.905 1.00 73.24 C ATOM 0 H LEU A 11 17.313 5.113 -3.072 1.00 11.35 H new ATOM 0 HA LEU A 11 20.125 5.563 -2.501 1.00 52.32 H new ATOM 0 HB2 LEU A 11 18.433 3.322 -3.608 1.00 50.52 H new ATOM 0 HB3 LEU A 11 20.176 3.273 -3.780 1.00 50.52 H new ATOM 0 HG LEU A 11 19.493 1.964 -1.868 1.00 70.23 H new ATOM 0 HD11 LEU A 11 20.860 3.027 -0.116 1.00 14.23 H new ATOM 0 HD12 LEU A 11 21.632 3.140 -1.715 1.00 14.23 H new ATOM 0 HD13 LEU A 11 20.817 4.560 -1.019 1.00 14.23 H new ATOM 0 HD21 LEU A 11 18.401 2.998 0.084 1.00 73.24 H new ATOM 0 HD22 LEU A 11 18.261 4.529 -0.812 1.00 73.24 H new ATOM 0 HD23 LEU A 11 17.378 3.088 -1.369 1.00 73.24 H new ATOM 183 N ALA A 12 19.852 6.953 -4.834 1.00 32.23 N ATOM 184 CA ALA A 12 20.255 7.513 -6.118 1.00 34.42 C ATOM 185 C ALA A 12 21.440 8.459 -5.957 1.00 34.32 C ATOM 186 O ALA A 12 22.448 8.332 -6.652 1.00 30.32 O ATOM 187 CB ALA A 12 19.085 8.235 -6.769 1.00 14.21 C ATOM 0 H ALA A 12 19.586 7.648 -4.136 1.00 32.23 H new ATOM 0 HA ALA A 12 20.565 6.691 -6.764 1.00 34.42 H new ATOM 0 HB1 ALA A 12 19.400 8.648 -7.727 1.00 14.21 H new ATOM 0 HB2 ALA A 12 18.267 7.532 -6.928 1.00 14.21 H new ATOM 0 HB3 ALA A 12 18.748 9.042 -6.119 1.00 14.21 H new ATOM 193 N LYS A 13 21.312 9.408 -5.036 1.00 53.33 N ATOM 194 CA LYS A 13 22.372 10.377 -4.783 1.00 20.42 C ATOM 195 C LYS A 13 23.622 9.687 -4.247 1.00 23.53 C ATOM 196 O LYS A 13 24.721 10.240 -4.302 1.00 54.20 O ATOM 197 CB LYS A 13 21.895 11.437 -3.787 1.00 63.24 C ATOM 198 CG LYS A 13 21.633 10.890 -2.395 1.00 22.31 C ATOM 199 CD LYS A 13 20.145 10.763 -2.116 1.00 52.35 C ATOM 200 CE LYS A 13 19.518 12.115 -1.813 1.00 11.34 C ATOM 201 NZ LYS A 13 19.597 12.450 -0.364 1.00 13.32 N ATOM 0 H LYS A 13 20.484 9.527 -4.452 1.00 53.33 H new ATOM 0 HA LYS A 13 22.621 10.861 -5.727 1.00 20.42 H new ATOM 0 HB2 LYS A 13 22.644 12.226 -3.723 1.00 63.24 H new ATOM 0 HB3 LYS A 13 20.981 11.895 -4.166 1.00 63.24 H new ATOM 0 HG2 LYS A 13 22.108 9.914 -2.291 1.00 22.31 H new ATOM 0 HG3 LYS A 13 22.088 11.547 -1.654 1.00 22.31 H new ATOM 0 HD2 LYS A 13 19.649 10.315 -2.977 1.00 52.35 H new ATOM 0 HD3 LYS A 13 19.988 10.091 -1.273 1.00 52.35 H new ATOM 0 HE2 LYS A 13 20.023 12.888 -2.393 1.00 11.34 H new ATOM 0 HE3 LYS A 13 18.475 12.111 -2.129 1.00 11.34 H new ATOM 0 HZ1 LYS A 13 19.159 13.379 -0.198 1.00 13.32 H new ATOM 0 HZ2 LYS A 13 19.093 11.726 0.188 1.00 13.32 H new ATOM 0 HZ3 LYS A 13 20.594 12.479 -0.068 1.00 13.32 H new ATOM 215 N TYR A 14 23.448 8.475 -3.730 1.00 2.41 N ATOM 216 CA TYR A 14 24.563 7.710 -3.183 1.00 54.32 C ATOM 217 C TYR A 14 25.317 6.980 -4.290 1.00 41.10 C ATOM 218 O TYR A 14 26.490 6.642 -4.139 1.00 21.44 O ATOM 219 CB TYR A 14 24.059 6.706 -2.146 1.00 35.43 C ATOM 220 CG TYR A 14 23.365 7.349 -0.966 1.00 40.44 C ATOM 221 CD1 TYR A 14 24.046 8.222 -0.126 1.00 72.51 C ATOM 222 CD2 TYR A 14 22.028 7.086 -0.693 1.00 43.23 C ATOM 223 CE1 TYR A 14 23.416 8.811 0.953 1.00 43.21 C ATOM 224 CE2 TYR A 14 21.390 7.673 0.383 1.00 62.44 C ATOM 225 CZ TYR A 14 22.089 8.534 1.203 1.00 75.20 C ATOM 226 OH TYR A 14 21.457 9.120 2.276 1.00 44.40 O ATOM 0 H TYR A 14 22.546 8.002 -3.678 1.00 2.41 H new ATOM 0 HA TYR A 14 25.248 8.407 -2.701 1.00 54.32 H new ATOM 0 HB2 TYR A 14 23.370 6.013 -2.629 1.00 35.43 H new ATOM 0 HB3 TYR A 14 24.902 6.117 -1.784 1.00 35.43 H new ATOM 0 HD1 TYR A 14 25.085 8.444 -0.320 1.00 72.51 H new ATOM 0 HD2 TYR A 14 21.478 6.411 -1.333 1.00 43.23 H new ATOM 0 HE1 TYR A 14 23.960 9.485 1.598 1.00 43.21 H new ATOM 0 HE2 TYR A 14 20.350 7.459 0.581 1.00 62.44 H new ATOM 0 HH TYR A 14 20.525 8.820 2.310 1.00 44.40 H new ATOM 236 N GLY A 15 24.633 6.741 -5.405 1.00 45.13 N ATOM 237 CA GLY A 15 25.254 6.053 -6.522 1.00 53.35 C ATOM 238 C GLY A 15 24.641 4.690 -6.777 1.00 2.25 C ATOM 239 O GLY A 15 23.549 4.393 -6.293 1.00 11.21 O ATOM 0 H GLY A 15 23.661 7.011 -5.555 1.00 45.13 H new ATOM 0 HA2 GLY A 15 25.159 6.664 -7.419 1.00 53.35 H new ATOM 0 HA3 GLY A 15 26.320 5.938 -6.326 1.00 53.35 H new ATOM 243 N SER A 16 25.345 3.860 -7.539 1.00 21.41 N ATOM 244 CA SER A 16 24.861 2.522 -7.861 1.00 43.22 C ATOM 245 C SER A 16 25.543 1.473 -6.988 1.00 34.00 C ATOM 246 O SER A 16 25.638 0.304 -7.361 1.00 73.44 O ATOM 247 CB SER A 16 25.107 2.210 -9.339 1.00 1.34 C ATOM 248 OG SER A 16 26.433 1.759 -9.551 1.00 24.43 O ATOM 0 H SER A 16 26.252 4.090 -7.945 1.00 21.41 H new ATOM 0 HA SER A 16 23.789 2.493 -7.664 1.00 43.22 H new ATOM 0 HB2 SER A 16 24.403 1.449 -9.675 1.00 1.34 H new ATOM 0 HB3 SER A 16 24.923 3.102 -9.938 1.00 1.34 H new ATOM 0 HG SER A 16 26.564 1.565 -10.503 1.00 24.43 H new ATOM 254 N LYS A 17 26.016 1.900 -5.822 1.00 70.41 N ATOM 255 CA LYS A 17 26.688 0.999 -4.893 1.00 10.12 C ATOM 256 C LYS A 17 25.834 0.762 -3.651 1.00 70.25 C ATOM 257 O LYS A 17 25.580 -0.380 -3.271 1.00 34.51 O ATOM 258 CB LYS A 17 28.048 1.573 -4.487 1.00 55.15 C ATOM 259 CG LYS A 17 28.903 0.605 -3.688 1.00 74.03 C ATOM 260 CD LYS A 17 29.561 -0.430 -4.586 1.00 13.42 C ATOM 261 CE LYS A 17 30.834 0.111 -5.219 1.00 33.21 C ATOM 262 NZ LYS A 17 31.345 -0.788 -6.291 1.00 13.41 N ATOM 0 H LYS A 17 25.946 2.865 -5.498 1.00 70.41 H new ATOM 0 HA LYS A 17 26.839 0.044 -5.397 1.00 10.12 H new ATOM 0 HB2 LYS A 17 28.591 1.868 -5.385 1.00 55.15 H new ATOM 0 HB3 LYS A 17 27.890 2.477 -3.898 1.00 55.15 H new ATOM 0 HG2 LYS A 17 29.670 1.158 -3.146 1.00 74.03 H new ATOM 0 HG3 LYS A 17 28.286 0.102 -2.943 1.00 74.03 H new ATOM 0 HD2 LYS A 17 29.793 -1.323 -4.005 1.00 13.42 H new ATOM 0 HD3 LYS A 17 28.864 -0.731 -5.368 1.00 13.42 H new ATOM 0 HE2 LYS A 17 30.641 1.100 -5.635 1.00 33.21 H new ATOM 0 HE3 LYS A 17 31.598 0.232 -4.451 1.00 33.21 H new ATOM 0 HZ1 LYS A 17 32.213 -0.385 -6.698 1.00 13.41 H new ATOM 0 HZ2 LYS A 17 31.553 -1.724 -5.889 1.00 13.41 H new ATOM 0 HZ3 LYS A 17 30.626 -0.884 -7.036 1.00 13.41 H new ATOM 276 N ALA A 18 25.393 1.848 -3.025 1.00 41.15 N ATOM 277 CA ALA A 18 24.565 1.757 -1.830 1.00 12.34 C ATOM 278 C ALA A 18 23.183 1.202 -2.159 1.00 43.45 C ATOM 279 O ALA A 18 22.481 0.697 -1.284 1.00 12.12 O ATOM 280 CB ALA A 18 24.443 3.122 -1.167 1.00 23.41 C ATOM 0 H ALA A 18 25.596 2.801 -3.326 1.00 41.15 H new ATOM 0 HA ALA A 18 25.048 1.069 -1.136 1.00 12.34 H new ATOM 0 HB1 ALA A 18 23.822 3.039 -0.275 1.00 23.41 H new ATOM 0 HB2 ALA A 18 25.434 3.480 -0.887 1.00 23.41 H new ATOM 0 HB3 ALA A 18 23.986 3.825 -1.863 1.00 23.41 H new ATOM 286 N VAL A 19 22.799 1.300 -3.428 1.00 53.41 N ATOM 287 CA VAL A 19 21.501 0.808 -3.874 1.00 32.23 C ATOM 288 C VAL A 19 21.484 -0.715 -3.938 1.00 34.31 C ATOM 289 O VAL A 19 20.444 -1.343 -3.736 1.00 2.51 O ATOM 290 CB VAL A 19 21.131 1.373 -5.258 1.00 11.21 C ATOM 291 CG1 VAL A 19 22.062 0.821 -6.327 1.00 32.14 C ATOM 292 CG2 VAL A 19 19.680 1.061 -5.590 1.00 73.21 C ATOM 0 H VAL A 19 23.368 1.716 -4.165 1.00 53.41 H new ATOM 0 HA VAL A 19 20.766 1.147 -3.144 1.00 32.23 H new ATOM 0 HB VAL A 19 21.249 2.456 -5.232 1.00 11.21 H new ATOM 0 HG11 VAL A 19 21.785 1.232 -7.298 1.00 32.14 H new ATOM 0 HG12 VAL A 19 23.089 1.101 -6.094 1.00 32.14 H new ATOM 0 HG13 VAL A 19 21.980 -0.266 -6.356 1.00 32.14 H new ATOM 0 HG21 VAL A 19 19.436 1.468 -6.571 1.00 73.21 H new ATOM 0 HG22 VAL A 19 19.533 -0.019 -5.598 1.00 73.21 H new ATOM 0 HG23 VAL A 19 19.030 1.510 -4.839 1.00 73.21 H new ATOM 302 N GLN A 20 22.642 -1.303 -4.220 1.00 33.31 N ATOM 303 CA GLN A 20 22.759 -2.754 -4.311 1.00 1.12 C ATOM 304 C GLN A 20 22.291 -3.420 -3.021 1.00 3.21 C ATOM 305 O GLN A 20 21.580 -4.424 -3.052 1.00 62.03 O ATOM 306 CB GLN A 20 24.206 -3.152 -4.609 1.00 12.14 C ATOM 307 CG GLN A 20 24.356 -4.586 -5.089 1.00 34.44 C ATOM 308 CD GLN A 20 25.759 -5.125 -4.890 1.00 13.22 C ATOM 309 OE1 GLN A 20 26.743 -4.455 -5.203 1.00 3.11 O ATOM 310 NE2 GLN A 20 25.858 -6.341 -4.367 1.00 32.25 N ATOM 0 H GLN A 20 23.512 -0.798 -4.389 1.00 33.31 H new ATOM 0 HA GLN A 20 22.121 -3.095 -5.126 1.00 1.12 H new ATOM 0 HB2 GLN A 20 24.610 -2.480 -5.366 1.00 12.14 H new ATOM 0 HB3 GLN A 20 24.805 -3.015 -3.709 1.00 12.14 H new ATOM 0 HG2 GLN A 20 23.648 -5.220 -4.555 1.00 34.44 H new ATOM 0 HG3 GLN A 20 24.097 -4.640 -6.146 1.00 34.44 H new ATOM 0 HE21 GLN A 20 25.015 -6.861 -4.122 1.00 32.25 H new ATOM 0 HE22 GLN A 20 26.777 -6.755 -4.210 1.00 32.25 H new ATOM 319 N TRP A 21 22.695 -2.854 -1.889 1.00 64.43 N ATOM 320 CA TRP A 21 22.318 -3.394 -0.588 1.00 75.20 C ATOM 321 C TRP A 21 20.803 -3.534 -0.475 1.00 44.25 C ATOM 322 O TRP A 21 20.290 -4.619 -0.204 1.00 15.51 O ATOM 323 CB TRP A 21 22.844 -2.496 0.532 1.00 11.42 C ATOM 324 CG TRP A 21 22.725 -3.112 1.893 1.00 11.33 C ATOM 325 CD1 TRP A 21 23.388 -4.212 2.356 1.00 62.34 C ATOM 326 CD2 TRP A 21 21.891 -2.663 2.967 1.00 74.30 C ATOM 327 NE1 TRP A 21 23.016 -4.475 3.652 1.00 25.11 N ATOM 328 CE2 TRP A 21 22.100 -3.539 4.051 1.00 55.24 C ATOM 329 CE3 TRP A 21 20.989 -1.606 3.119 1.00 22.43 C ATOM 330 CZ2 TRP A 21 21.439 -3.389 5.267 1.00 55.53 C ATOM 331 CZ3 TRP A 21 20.334 -1.459 4.327 1.00 53.21 C ATOM 332 CH2 TRP A 21 20.561 -2.345 5.388 1.00 64.20 C ATOM 0 H TRP A 21 23.283 -2.022 -1.846 1.00 64.43 H new ATOM 0 HA TRP A 21 22.764 -4.384 -0.490 1.00 75.20 H new ATOM 0 HB2 TRP A 21 23.890 -2.261 0.338 1.00 11.42 H new ATOM 0 HB3 TRP A 21 22.297 -1.553 0.519 1.00 11.42 H new ATOM 0 HD1 TRP A 21 24.100 -4.791 1.787 1.00 62.34 H new ATOM 0 HE1 TRP A 21 23.366 -5.243 4.224 1.00 25.11 H new ATOM 0 HE3 TRP A 21 20.807 -0.917 2.307 1.00 22.43 H new ATOM 0 HZ2 TRP A 21 21.612 -4.072 6.086 1.00 55.53 H new ATOM 0 HZ3 TRP A 21 19.634 -0.646 4.455 1.00 53.21 H new ATOM 0 HH2 TRP A 21 20.033 -2.202 6.319 1.00 64.20 H new ATOM 343 N ALA A 22 20.094 -2.430 -0.686 1.00 43.32 N ATOM 344 CA ALA A 22 18.639 -2.431 -0.610 1.00 53.44 C ATOM 345 C ALA A 22 18.044 -3.522 -1.494 1.00 54.42 C ATOM 346 O ALA A 22 17.168 -4.273 -1.064 1.00 41.44 O ATOM 347 CB ALA A 22 18.089 -1.069 -1.007 1.00 53.33 C ATOM 0 H ALA A 22 20.504 -1.524 -0.911 1.00 43.32 H new ATOM 0 HA ALA A 22 18.354 -2.639 0.421 1.00 53.44 H new ATOM 0 HB1 ALA A 22 17.001 -1.084 -0.946 1.00 53.33 H new ATOM 0 HB2 ALA A 22 18.480 -0.308 -0.332 1.00 53.33 H new ATOM 0 HB3 ALA A 22 18.392 -0.838 -2.028 1.00 53.33 H new ATOM 353 N TRP A 23 18.524 -3.602 -2.730 1.00 34.42 N ATOM 354 CA TRP A 23 18.038 -4.602 -3.674 1.00 53.04 C ATOM 355 C TRP A 23 18.383 -6.010 -3.203 1.00 24.02 C ATOM 356 O TRP A 23 17.651 -6.962 -3.472 1.00 1.32 O ATOM 357 CB TRP A 23 18.633 -4.355 -5.061 1.00 42.34 C ATOM 358 CG TRP A 23 17.869 -3.347 -5.865 1.00 54.20 C ATOM 359 CD1 TRP A 23 18.137 -2.012 -5.975 1.00 61.32 C ATOM 360 CD2 TRP A 23 16.709 -3.593 -6.669 1.00 4.44 C ATOM 361 NE1 TRP A 23 17.214 -1.414 -6.799 1.00 5.40 N ATOM 362 CE2 TRP A 23 16.329 -2.362 -7.238 1.00 15.41 C ATOM 363 CE3 TRP A 23 15.957 -4.733 -6.964 1.00 44.43 C ATOM 364 CZ2 TRP A 23 15.229 -2.241 -8.083 1.00 71.44 C ATOM 365 CZ3 TRP A 23 14.866 -4.612 -7.803 1.00 41.43 C ATOM 366 CH2 TRP A 23 14.511 -3.374 -8.356 1.00 15.13 C ATOM 0 H TRP A 23 19.248 -2.987 -3.102 1.00 34.42 H new ATOM 0 HA TRP A 23 16.953 -4.514 -3.730 1.00 53.04 H new ATOM 0 HB2 TRP A 23 19.663 -4.016 -4.951 1.00 42.34 H new ATOM 0 HB3 TRP A 23 18.664 -5.297 -5.608 1.00 42.34 H new ATOM 0 HD1 TRP A 23 18.954 -1.502 -5.486 1.00 61.32 H new ATOM 0 HE1 TRP A 23 17.192 -0.424 -7.044 1.00 5.40 H new ATOM 0 HE3 TRP A 23 16.224 -5.691 -6.544 1.00 44.43 H new ATOM 0 HZ2 TRP A 23 14.952 -1.287 -8.508 1.00 71.44 H new ATOM 0 HZ3 TRP A 23 14.277 -5.486 -8.037 1.00 41.43 H new ATOM 0 HH2 TRP A 23 13.654 -3.313 -9.010 1.00 15.13 H new ATOM 377 N ALA A 24 19.503 -6.135 -2.498 1.00 21.21 N ATOM 378 CA ALA A 24 19.944 -7.427 -1.987 1.00 72.32 C ATOM 379 C ALA A 24 19.003 -7.938 -0.902 1.00 32.54 C ATOM 380 O ALA A 24 18.224 -8.863 -1.128 1.00 34.24 O ATOM 381 CB ALA A 24 21.365 -7.327 -1.452 1.00 53.43 C ATOM 0 H ALA A 24 20.121 -5.357 -2.268 1.00 21.21 H new ATOM 0 HA ALA A 24 19.928 -8.140 -2.811 1.00 72.32 H new ATOM 0 HB1 ALA A 24 21.681 -8.299 -1.074 1.00 53.43 H new ATOM 0 HB2 ALA A 24 22.034 -7.015 -2.254 1.00 53.43 H new ATOM 0 HB3 ALA A 24 21.399 -6.595 -0.645 1.00 53.43 H new ATOM 387 N ASN A 25 19.082 -7.331 0.278 1.00 53.33 N ATOM 388 CA ASN A 25 18.237 -7.726 1.399 1.00 3.23 C ATOM 389 C ASN A 25 16.769 -7.436 1.103 1.00 30.12 C ATOM 390 O ASN A 25 16.277 -6.337 1.361 1.00 70.21 O ATOM 391 CB ASN A 25 18.667 -6.992 2.671 1.00 21.44 C ATOM 392 CG ASN A 25 20.039 -7.424 3.152 1.00 43.42 C ATOM 393 OD1 ASN A 25 20.167 -8.359 3.942 1.00 10.11 O ATOM 394 ND2 ASN A 25 21.074 -6.741 2.675 1.00 22.33 N ATOM 0 H ASN A 25 19.722 -6.564 0.482 1.00 53.33 H new ATOM 0 HA ASN A 25 18.353 -8.799 1.549 1.00 3.23 H new ATOM 0 HB2 ASN A 25 18.672 -5.918 2.483 1.00 21.44 H new ATOM 0 HB3 ASN A 25 17.935 -7.175 3.458 1.00 21.44 H new ATOM 0 HD21 ASN A 25 22.022 -6.985 2.962 1.00 22.33 H new ATOM 0 HD22 ASN A 25 20.921 -5.973 2.022 1.00 22.33 H new ATOM 401 N LYS A 26 16.073 -8.430 0.561 1.00 43.43 N ATOM 402 CA LYS A 26 14.661 -8.284 0.231 1.00 75.13 C ATOM 403 C LYS A 26 13.784 -8.965 1.277 1.00 23.02 C ATOM 404 O LYS A 26 12.759 -9.561 0.950 1.00 63.42 O ATOM 405 CB LYS A 26 14.375 -8.875 -1.152 1.00 20.23 C ATOM 406 CG LYS A 26 14.843 -10.312 -1.308 1.00 4.45 C ATOM 407 CD LYS A 26 14.306 -10.938 -2.583 1.00 62.14 C ATOM 408 CE LYS A 26 12.950 -11.589 -2.357 1.00 24.13 C ATOM 409 NZ LYS A 26 12.340 -12.058 -3.632 1.00 0.34 N ATOM 0 H LYS A 26 16.465 -9.346 0.341 1.00 43.43 H new ATOM 0 HA LYS A 26 14.425 -7.220 0.221 1.00 75.13 H new ATOM 0 HB2 LYS A 26 13.303 -8.828 -1.343 1.00 20.23 H new ATOM 0 HB3 LYS A 26 14.861 -8.259 -1.909 1.00 20.23 H new ATOM 0 HG2 LYS A 26 15.933 -10.342 -1.318 1.00 4.45 H new ATOM 0 HG3 LYS A 26 14.516 -10.897 -0.449 1.00 4.45 H new ATOM 0 HD2 LYS A 26 14.220 -10.174 -3.356 1.00 62.14 H new ATOM 0 HD3 LYS A 26 15.012 -11.683 -2.949 1.00 62.14 H new ATOM 0 HE2 LYS A 26 13.061 -12.433 -1.676 1.00 24.13 H new ATOM 0 HE3 LYS A 26 12.281 -10.876 -1.875 1.00 24.13 H new ATOM 0 HZ1 LYS A 26 11.417 -12.495 -3.435 1.00 0.34 H new ATOM 0 HZ2 LYS A 26 12.210 -11.249 -4.273 1.00 0.34 H new ATOM 0 HZ3 LYS A 26 12.966 -12.757 -4.080 1.00 0.34 H new ATOM 423 N GLY A 27 14.195 -8.871 2.539 1.00 54.55 N ATOM 424 CA GLY A 27 13.434 -9.481 3.614 1.00 65.05 C ATOM 425 C GLY A 27 13.503 -8.681 4.899 1.00 24.12 C ATOM 426 O GLY A 27 12.475 -8.310 5.465 1.00 53.34 O ATOM 0 H GLY A 27 15.041 -8.384 2.835 1.00 54.55 H new ATOM 0 HA2 GLY A 27 12.393 -9.580 3.307 1.00 65.05 H new ATOM 0 HA3 GLY A 27 13.810 -10.488 3.796 1.00 65.05 H new ATOM 430 N LYS A 28 14.719 -8.416 5.365 1.00 44.35 N ATOM 431 CA LYS A 28 14.920 -7.655 6.592 1.00 21.12 C ATOM 432 C LYS A 28 14.474 -6.207 6.414 1.00 21.34 C ATOM 433 O LYS A 28 13.974 -5.583 7.350 1.00 12.15 O ATOM 434 CB LYS A 28 16.392 -7.699 7.009 1.00 41.14 C ATOM 435 CG LYS A 28 16.702 -6.861 8.237 1.00 12.01 C ATOM 436 CD LYS A 28 16.084 -7.458 9.490 1.00 74.41 C ATOM 437 CE LYS A 28 16.833 -7.027 10.741 1.00 31.13 C ATOM 438 NZ LYS A 28 18.144 -7.721 10.870 1.00 62.24 N ATOM 0 H LYS A 28 15.581 -8.718 4.911 1.00 44.35 H new ATOM 0 HA LYS A 28 14.313 -8.110 7.375 1.00 21.12 H new ATOM 0 HB2 LYS A 28 16.675 -8.733 7.205 1.00 41.14 H new ATOM 0 HB3 LYS A 28 17.007 -7.352 6.178 1.00 41.14 H new ATOM 0 HG2 LYS A 28 17.782 -6.785 8.364 1.00 12.01 H new ATOM 0 HG3 LYS A 28 16.326 -5.848 8.092 1.00 12.01 H new ATOM 0 HD2 LYS A 28 15.041 -7.150 9.565 1.00 74.41 H new ATOM 0 HD3 LYS A 28 16.091 -8.546 9.417 1.00 74.41 H new ATOM 0 HE2 LYS A 28 16.994 -5.949 10.715 1.00 31.13 H new ATOM 0 HE3 LYS A 28 16.223 -7.237 11.620 1.00 31.13 H new ATOM 0 HZ1 LYS A 28 18.506 -7.603 11.838 1.00 62.24 H new ATOM 0 HZ2 LYS A 28 18.022 -8.734 10.667 1.00 62.24 H new ATOM 0 HZ3 LYS A 28 18.821 -7.312 10.195 1.00 62.24 H new ATOM 452 N ILE A 29 14.657 -5.680 5.208 1.00 22.44 N ATOM 453 CA ILE A 29 14.271 -4.307 4.909 1.00 71.35 C ATOM 454 C ILE A 29 12.768 -4.197 4.678 1.00 34.00 C ATOM 455 O ILE A 29 12.131 -3.234 5.109 1.00 62.41 O ATOM 456 CB ILE A 29 15.010 -3.773 3.667 1.00 12.14 C ATOM 457 CG1 ILE A 29 16.522 -3.925 3.842 1.00 22.33 C ATOM 458 CG2 ILE A 29 14.644 -2.317 3.419 1.00 32.21 C ATOM 459 CD1 ILE A 29 17.320 -3.437 2.654 1.00 41.03 C ATOM 0 H ILE A 29 15.070 -6.183 4.423 1.00 22.44 H new ATOM 0 HA ILE A 29 14.548 -3.705 5.774 1.00 71.35 H new ATOM 0 HB ILE A 29 14.703 -4.358 2.800 1.00 12.14 H new ATOM 0 HG12 ILE A 29 16.834 -3.375 4.730 1.00 22.33 H new ATOM 0 HG13 ILE A 29 16.755 -4.975 4.020 1.00 22.33 H new ATOM 0 HG21 ILE A 29 15.174 -1.954 2.538 1.00 32.21 H new ATOM 0 HG22 ILE A 29 13.569 -2.235 3.256 1.00 32.21 H new ATOM 0 HG23 ILE A 29 14.926 -1.718 4.285 1.00 32.21 H new ATOM 0 HD11 ILE A 29 18.384 -3.576 2.848 1.00 41.03 H new ATOM 0 HD12 ILE A 29 17.036 -4.004 1.767 1.00 41.03 H new ATOM 0 HD13 ILE A 29 17.116 -2.379 2.489 1.00 41.03 H new ATOM 471 N LEU A 30 12.205 -5.189 3.997 1.00 33.34 N ATOM 472 CA LEU A 30 10.774 -5.206 3.711 1.00 45.33 C ATOM 473 C LEU A 30 9.960 -5.119 4.998 1.00 61.14 C ATOM 474 O LEU A 30 8.818 -4.660 4.991 1.00 33.43 O ATOM 475 CB LEU A 30 10.403 -6.475 2.943 1.00 73.41 C ATOM 476 CG LEU A 30 10.534 -6.402 1.421 1.00 31.32 C ATOM 477 CD1 LEU A 30 9.461 -5.498 0.836 1.00 52.52 C ATOM 478 CD2 LEU A 30 11.920 -5.912 1.028 1.00 31.13 C ATOM 0 H LEU A 30 12.717 -5.992 3.632 1.00 33.34 H new ATOM 0 HA LEU A 30 10.541 -4.336 3.097 1.00 45.33 H new ATOM 0 HB2 LEU A 30 11.031 -7.290 3.303 1.00 73.41 H new ATOM 0 HB3 LEU A 30 9.373 -6.735 3.187 1.00 73.41 H new ATOM 0 HG LEU A 30 10.396 -7.404 1.015 1.00 31.32 H new ATOM 0 HD11 LEU A 30 9.570 -5.458 -0.248 1.00 52.52 H new ATOM 0 HD12 LEU A 30 8.476 -5.892 1.087 1.00 52.52 H new ATOM 0 HD13 LEU A 30 9.566 -4.494 1.248 1.00 52.52 H new ATOM 0 HD21 LEU A 30 11.995 -5.866 -0.058 1.00 31.13 H new ATOM 0 HD22 LEU A 30 12.087 -4.919 1.445 1.00 31.13 H new ATOM 0 HD23 LEU A 30 12.672 -6.599 1.415 1.00 31.13 H new ATOM 490 N ASP A 31 10.556 -5.561 6.099 1.00 3.25 N ATOM 491 CA ASP A 31 9.888 -5.530 7.395 1.00 33.22 C ATOM 492 C ASP A 31 9.863 -4.114 7.960 1.00 14.45 C ATOM 493 O ASP A 31 8.852 -3.671 8.507 1.00 42.35 O ATOM 494 CB ASP A 31 10.588 -6.472 8.376 1.00 15.14 C ATOM 495 CG ASP A 31 10.131 -7.910 8.225 1.00 51.43 C ATOM 496 OD1 ASP A 31 9.027 -8.128 7.683 1.00 12.11 O ATOM 497 OD2 ASP A 31 10.878 -8.817 8.647 1.00 41.42 O ATOM 0 H ASP A 31 11.501 -5.945 6.121 1.00 3.25 H new ATOM 0 HA ASP A 31 8.860 -5.863 7.254 1.00 33.22 H new ATOM 0 HB2 ASP A 31 11.666 -6.418 8.221 1.00 15.14 H new ATOM 0 HB3 ASP A 31 10.396 -6.138 9.396 1.00 15.14 H new ATOM 502 N TRP A 32 10.980 -3.409 7.826 1.00 23.15 N ATOM 503 CA TRP A 32 11.087 -2.043 8.325 1.00 14.52 C ATOM 504 C TRP A 32 9.938 -1.184 7.808 1.00 10.52 C ATOM 505 O TRP A 32 9.397 -0.350 8.536 1.00 53.12 O ATOM 506 CB TRP A 32 12.425 -1.429 7.911 1.00 61.23 C ATOM 507 CG TRP A 32 13.596 -2.005 8.648 1.00 0.45 C ATOM 508 CD1 TRP A 32 13.582 -2.582 9.886 1.00 75.21 C ATOM 509 CD2 TRP A 32 14.953 -2.056 8.195 1.00 2.25 C ATOM 510 NE1 TRP A 32 14.848 -2.989 10.229 1.00 22.45 N ATOM 511 CE2 TRP A 32 15.708 -2.679 9.209 1.00 15.31 C ATOM 512 CE3 TRP A 32 15.604 -1.638 7.032 1.00 64.13 C ATOM 513 CZ2 TRP A 32 17.079 -2.891 9.092 1.00 35.22 C ATOM 514 CZ3 TRP A 32 16.965 -1.849 6.917 1.00 22.55 C ATOM 515 CH2 TRP A 32 17.690 -2.472 7.942 1.00 23.12 C ATOM 0 H TRP A 32 11.825 -3.761 7.376 1.00 23.15 H new ATOM 0 HA TRP A 32 11.032 -2.075 9.413 1.00 14.52 H new ATOM 0 HB2 TRP A 32 12.569 -1.578 6.841 1.00 61.23 H new ATOM 0 HB3 TRP A 32 12.391 -0.353 8.081 1.00 61.23 H new ATOM 0 HD1 TRP A 32 12.704 -2.701 10.504 1.00 75.21 H new ATOM 0 HE1 TRP A 32 15.106 -3.448 11.102 1.00 22.45 H new ATOM 0 HE3 TRP A 32 15.053 -1.158 6.236 1.00 64.13 H new ATOM 0 HZ2 TRP A 32 17.640 -3.369 9.881 1.00 35.22 H new ATOM 0 HZ3 TRP A 32 17.478 -1.529 6.022 1.00 22.55 H new ATOM 0 HH2 TRP A 32 18.752 -2.624 7.822 1.00 23.12 H new ATOM 526 N LEU A 33 9.570 -1.391 6.549 1.00 72.41 N ATOM 527 CA LEU A 33 8.484 -0.635 5.935 1.00 71.45 C ATOM 528 C LEU A 33 7.221 -0.705 6.787 1.00 22.14 C ATOM 529 O LEU A 33 6.429 0.236 6.820 1.00 65.24 O ATOM 530 CB LEU A 33 8.195 -1.170 4.531 1.00 52.44 C ATOM 531 CG LEU A 33 9.384 -1.212 3.570 1.00 2.25 C ATOM 532 CD1 LEU A 33 9.002 -1.917 2.278 1.00 3.03 C ATOM 533 CD2 LEU A 33 9.888 0.195 3.284 1.00 43.04 C ATOM 0 H LEU A 33 10.008 -2.076 5.933 1.00 72.41 H new ATOM 0 HA LEU A 33 8.795 0.407 5.864 1.00 71.45 H new ATOM 0 HB2 LEU A 33 7.793 -2.179 4.624 1.00 52.44 H new ATOM 0 HB3 LEU A 33 7.414 -0.556 4.084 1.00 52.44 H new ATOM 0 HG LEU A 33 10.189 -1.776 4.042 1.00 2.25 H new ATOM 0 HD11 LEU A 33 9.861 -1.937 1.607 1.00 3.03 H new ATOM 0 HD12 LEU A 33 8.690 -2.938 2.499 1.00 3.03 H new ATOM 0 HD13 LEU A 33 8.181 -1.382 1.801 1.00 3.03 H new ATOM 0 HD21 LEU A 33 10.734 0.146 2.599 1.00 43.04 H new ATOM 0 HD22 LEU A 33 9.089 0.783 2.833 1.00 43.04 H new ATOM 0 HD23 LEU A 33 10.203 0.665 4.216 1.00 43.04 H new ATOM 545 N ASN A 34 7.041 -1.826 7.479 1.00 44.02 N ATOM 546 CA ASN A 34 5.876 -2.018 8.334 1.00 53.12 C ATOM 547 C ASN A 34 6.181 -1.604 9.770 1.00 33.13 C ATOM 548 O ASN A 34 5.305 -1.120 10.487 1.00 41.34 O ATOM 549 CB ASN A 34 5.425 -3.480 8.297 1.00 4.31 C ATOM 550 CG ASN A 34 5.318 -4.016 6.883 1.00 71.13 C ATOM 551 OD1 ASN A 34 4.451 -3.601 6.114 1.00 51.13 O ATOM 552 ND2 ASN A 34 6.201 -4.944 6.533 1.00 21.34 N ATOM 0 H ASN A 34 7.687 -2.615 7.464 1.00 44.02 H new ATOM 0 HA ASN A 34 5.071 -1.387 7.956 1.00 53.12 H new ATOM 0 HB2 ASN A 34 6.131 -4.090 8.861 1.00 4.31 H new ATOM 0 HB3 ASN A 34 4.458 -3.572 8.792 1.00 4.31 H new ATOM 0 HD21 ASN A 34 6.177 -5.342 5.594 1.00 21.34 H new ATOM 0 HD22 ASN A 34 6.903 -5.259 7.203 1.00 21.34 H new ATOM 559 N ALA A 35 7.429 -1.798 10.184 1.00 73.11 N ATOM 560 CA ALA A 35 7.850 -1.443 11.533 1.00 2.22 C ATOM 561 C ALA A 35 8.265 0.023 11.611 1.00 62.52 C ATOM 562 O ALA A 35 9.450 0.347 11.537 1.00 55.11 O ATOM 563 CB ALA A 35 8.993 -2.341 11.983 1.00 33.40 C ATOM 0 H ALA A 35 8.166 -2.199 9.604 1.00 73.11 H new ATOM 0 HA ALA A 35 7.002 -1.590 12.202 1.00 2.22 H new ATOM 0 HB1 ALA A 35 9.297 -2.064 12.992 1.00 33.40 H new ATOM 0 HB2 ALA A 35 8.664 -3.380 11.975 1.00 33.40 H new ATOM 0 HB3 ALA A 35 9.838 -2.223 11.304 1.00 33.40 H new ATOM 569 N GLY A 36 7.281 0.905 11.760 1.00 64.44 N ATOM 570 CA GLY A 36 7.565 2.325 11.844 1.00 42.33 C ATOM 571 C GLY A 36 6.954 3.107 10.698 1.00 14.53 C ATOM 572 O GLY A 36 6.323 4.142 10.913 1.00 52.21 O ATOM 0 H GLY A 36 6.293 0.661 11.824 1.00 64.44 H new ATOM 0 HA2 GLY A 36 7.184 2.713 12.789 1.00 42.33 H new ATOM 0 HA3 GLY A 36 8.644 2.477 11.849 1.00 42.33 H new ATOM 576 N GLN A 37 7.142 2.613 9.479 1.00 11.20 N ATOM 577 CA GLN A 37 6.606 3.275 8.296 1.00 55.03 C ATOM 578 C GLN A 37 7.201 4.670 8.135 1.00 12.04 C ATOM 579 O GLN A 37 6.575 5.560 7.560 1.00 22.01 O ATOM 580 CB GLN A 37 5.081 3.365 8.383 1.00 50.12 C ATOM 581 CG GLN A 37 4.366 2.755 7.188 1.00 42.11 C ATOM 582 CD GLN A 37 2.859 2.748 7.350 1.00 0.44 C ATOM 583 OE1 GLN A 37 2.265 3.737 7.781 1.00 40.41 O ATOM 584 NE2 GLN A 37 2.231 1.630 7.006 1.00 41.22 N ATOM 0 H GLN A 37 7.661 1.757 9.285 1.00 11.20 H new ATOM 0 HA GLN A 37 6.879 2.681 7.424 1.00 55.03 H new ATOM 0 HB2 GLN A 37 4.747 2.863 9.291 1.00 50.12 H new ATOM 0 HB3 GLN A 37 4.792 4.412 8.473 1.00 50.12 H new ATOM 0 HG2 GLN A 37 4.628 3.313 6.289 1.00 42.11 H new ATOM 0 HG3 GLN A 37 4.717 1.733 7.043 1.00 42.11 H new ATOM 0 HE21 GLN A 37 2.763 0.834 6.653 1.00 41.22 H new ATOM 0 HE22 GLN A 37 1.217 1.567 7.094 1.00 41.22 H new ATOM 593 N ALA A 38 8.413 4.853 8.648 1.00 0.24 N ATOM 594 CA ALA A 38 9.093 6.139 8.561 1.00 43.45 C ATOM 595 C ALA A 38 10.323 6.050 7.663 1.00 30.22 C ATOM 596 O ALA A 38 11.253 5.293 7.943 1.00 70.31 O ATOM 597 CB ALA A 38 9.484 6.625 9.948 1.00 4.42 C ATOM 0 H ALA A 38 8.944 4.127 9.128 1.00 0.24 H new ATOM 0 HA ALA A 38 8.403 6.857 8.118 1.00 43.45 H new ATOM 0 HB1 ALA A 38 9.991 7.587 9.867 1.00 4.42 H new ATOM 0 HB2 ALA A 38 8.589 6.737 10.560 1.00 4.42 H new ATOM 0 HB3 ALA A 38 10.153 5.900 10.412 1.00 4.42 H new ATOM 603 N ILE A 39 10.321 6.826 6.585 1.00 54.11 N ATOM 604 CA ILE A 39 11.437 6.834 5.647 1.00 34.14 C ATOM 605 C ILE A 39 12.736 7.224 6.343 1.00 23.01 C ATOM 606 O ILE A 39 13.728 6.498 6.280 1.00 23.42 O ATOM 607 CB ILE A 39 11.183 7.803 4.478 1.00 54.22 C ATOM 608 CG1 ILE A 39 9.878 7.445 3.764 1.00 35.11 C ATOM 609 CG2 ILE A 39 12.351 7.775 3.503 1.00 14.14 C ATOM 610 CD1 ILE A 39 9.385 8.525 2.827 1.00 40.31 C ATOM 0 H ILE A 39 9.559 7.458 6.339 1.00 54.11 H new ATOM 0 HA ILE A 39 11.527 5.821 5.255 1.00 34.14 H new ATOM 0 HB ILE A 39 11.092 8.813 4.877 1.00 54.22 H new ATOM 0 HG12 ILE A 39 10.023 6.524 3.199 1.00 35.11 H new ATOM 0 HG13 ILE A 39 9.109 7.244 4.510 1.00 35.11 H new ATOM 0 HG21 ILE A 39 12.156 8.465 2.682 1.00 14.14 H new ATOM 0 HG22 ILE A 39 13.263 8.073 4.019 1.00 14.14 H new ATOM 0 HG23 ILE A 39 12.471 6.766 3.108 1.00 14.14 H new ATOM 0 HD11 ILE A 39 8.456 8.202 2.356 1.00 40.31 H new ATOM 0 HD12 ILE A 39 9.207 9.441 3.390 1.00 40.31 H new ATOM 0 HD13 ILE A 39 10.136 8.711 2.059 1.00 40.31 H new ATOM 622 N ASP A 40 12.723 8.374 7.008 1.00 50.25 N ATOM 623 CA ASP A 40 13.900 8.860 7.718 1.00 11.24 C ATOM 624 C ASP A 40 14.385 7.830 8.734 1.00 43.33 C ATOM 625 O ASP A 40 15.563 7.803 9.090 1.00 63.12 O ATOM 626 CB ASP A 40 13.587 10.181 8.423 1.00 10.11 C ATOM 627 CG ASP A 40 14.833 10.868 8.946 1.00 64.13 C ATOM 628 OD1 ASP A 40 15.944 10.477 8.531 1.00 61.34 O ATOM 629 OD2 ASP A 40 14.698 11.796 9.771 1.00 43.14 O ATOM 0 H ASP A 40 11.910 8.987 7.070 1.00 50.25 H new ATOM 0 HA ASP A 40 14.692 9.025 6.988 1.00 11.24 H new ATOM 0 HB2 ASP A 40 13.073 10.846 7.730 1.00 10.11 H new ATOM 0 HB3 ASP A 40 12.904 9.994 9.252 1.00 10.11 H new ATOM 634 N TRP A 41 13.470 6.986 9.196 1.00 10.51 N ATOM 635 CA TRP A 41 13.805 5.955 10.172 1.00 51.23 C ATOM 636 C TRP A 41 14.560 4.806 9.512 1.00 14.30 C ATOM 637 O TRP A 41 15.308 4.083 10.170 1.00 50.40 O ATOM 638 CB TRP A 41 12.536 5.429 10.844 1.00 71.20 C ATOM 639 CG TRP A 41 12.808 4.620 12.076 1.00 1.22 C ATOM 640 CD1 TRP A 41 12.914 5.086 13.356 1.00 52.35 C ATOM 641 CD2 TRP A 41 13.011 3.205 12.145 1.00 61.42 C ATOM 642 NE1 TRP A 41 13.170 4.046 14.215 1.00 23.43 N ATOM 643 CE2 TRP A 41 13.234 2.881 13.497 1.00 32.25 C ATOM 644 CE3 TRP A 41 13.024 2.179 11.196 1.00 63.02 C ATOM 645 CZ2 TRP A 41 13.468 1.575 13.921 1.00 12.32 C ATOM 646 CZ3 TRP A 41 13.257 0.884 11.618 1.00 70.11 C ATOM 647 CH2 TRP A 41 13.475 0.591 12.971 1.00 63.13 C ATOM 0 H TRP A 41 12.491 6.995 8.911 1.00 10.51 H new ATOM 0 HA TRP A 41 14.450 6.401 10.929 1.00 51.23 H new ATOM 0 HB2 TRP A 41 11.896 6.272 11.105 1.00 71.20 H new ATOM 0 HB3 TRP A 41 11.983 4.817 10.131 1.00 71.20 H new ATOM 0 HD1 TRP A 41 12.811 6.120 13.649 1.00 52.35 H new ATOM 0 HE1 TRP A 41 13.293 4.128 15.224 1.00 23.43 H new ATOM 0 HE3 TRP A 41 12.855 2.395 10.151 1.00 63.02 H new ATOM 0 HZ2 TRP A 41 13.638 1.347 14.963 1.00 12.32 H new ATOM 0 HZ3 TRP A 41 13.271 0.084 10.893 1.00 70.11 H new ATOM 0 HH2 TRP A 41 13.652 -0.432 13.269 1.00 63.13 H new ATOM 658 N VAL A 42 14.359 4.643 8.208 1.00 14.12 N ATOM 659 CA VAL A 42 15.022 3.582 7.459 1.00 13.34 C ATOM 660 C VAL A 42 16.330 4.074 6.851 1.00 4.23 C ATOM 661 O VAL A 42 17.313 3.335 6.784 1.00 11.44 O ATOM 662 CB VAL A 42 14.119 3.039 6.336 1.00 14.31 C ATOM 663 CG1 VAL A 42 14.839 1.955 5.549 1.00 35.21 C ATOM 664 CG2 VAL A 42 12.812 2.514 6.911 1.00 73.02 C ATOM 0 H VAL A 42 13.742 5.232 7.649 1.00 14.12 H new ATOM 0 HA VAL A 42 15.232 2.779 8.166 1.00 13.34 H new ATOM 0 HB VAL A 42 13.886 3.856 5.653 1.00 14.31 H new ATOM 0 HG11 VAL A 42 14.185 1.583 4.760 1.00 35.21 H new ATOM 0 HG12 VAL A 42 15.745 2.368 5.105 1.00 35.21 H new ATOM 0 HG13 VAL A 42 15.104 1.135 6.217 1.00 35.21 H new ATOM 0 HG21 VAL A 42 12.186 2.134 6.104 1.00 73.02 H new ATOM 0 HG22 VAL A 42 13.022 1.710 7.617 1.00 73.02 H new ATOM 0 HG23 VAL A 42 12.291 3.321 7.425 1.00 73.02 H new ATOM 674 N VAL A 43 16.337 5.328 6.409 1.00 33.30 N ATOM 675 CA VAL A 43 17.525 5.920 5.807 1.00 4.15 C ATOM 676 C VAL A 43 18.687 5.944 6.795 1.00 51.53 C ATOM 677 O VAL A 43 19.824 5.634 6.439 1.00 11.41 O ATOM 678 CB VAL A 43 17.251 7.355 5.318 1.00 25.35 C ATOM 679 CG1 VAL A 43 18.433 7.881 4.518 1.00 71.00 C ATOM 680 CG2 VAL A 43 15.975 7.401 4.493 1.00 55.00 C ATOM 0 H VAL A 43 15.533 5.953 6.457 1.00 33.30 H new ATOM 0 HA VAL A 43 17.791 5.298 4.952 1.00 4.15 H new ATOM 0 HB VAL A 43 17.117 7.998 6.188 1.00 25.35 H new ATOM 0 HG11 VAL A 43 18.221 8.896 4.181 1.00 71.00 H new ATOM 0 HG12 VAL A 43 19.324 7.886 5.146 1.00 71.00 H new ATOM 0 HG13 VAL A 43 18.602 7.239 3.653 1.00 71.00 H new ATOM 0 HG21 VAL A 43 15.796 8.422 4.156 1.00 55.00 H new ATOM 0 HG22 VAL A 43 16.077 6.746 3.628 1.00 55.00 H new ATOM 0 HG23 VAL A 43 15.135 7.068 5.103 1.00 55.00 H new ATOM 690 N SER A 44 18.393 6.315 8.037 1.00 71.21 N ATOM 691 CA SER A 44 19.414 6.383 9.076 1.00 14.01 C ATOM 692 C SER A 44 20.020 5.007 9.333 1.00 32.23 C ATOM 693 O SER A 44 21.096 4.889 9.919 1.00 22.32 O ATOM 694 CB SER A 44 18.818 6.940 10.370 1.00 15.22 C ATOM 695 OG SER A 44 19.615 6.595 11.489 1.00 21.53 O ATOM 0 H SER A 44 17.457 6.573 8.348 1.00 71.21 H new ATOM 0 HA SER A 44 20.204 7.050 8.731 1.00 14.01 H new ATOM 0 HB2 SER A 44 18.736 8.025 10.299 1.00 15.22 H new ATOM 0 HB3 SER A 44 17.808 6.552 10.505 1.00 15.22 H new ATOM 0 HG SER A 44 19.213 6.964 12.303 1.00 21.53 H new ATOM 701 N LYS A 45 19.321 3.967 8.891 1.00 55.23 N ATOM 702 CA LYS A 45 19.788 2.598 9.070 1.00 32.25 C ATOM 703 C LYS A 45 20.557 2.120 7.843 1.00 72.21 C ATOM 704 O LYS A 45 20.730 0.918 7.637 1.00 53.24 O ATOM 705 CB LYS A 45 18.605 1.665 9.340 1.00 60.33 C ATOM 706 CG LYS A 45 17.892 1.949 10.651 1.00 65.43 C ATOM 707 CD LYS A 45 17.265 0.691 11.228 1.00 54.02 C ATOM 708 CE LYS A 45 18.285 -0.144 11.986 1.00 1.23 C ATOM 709 NZ LYS A 45 17.655 -1.314 12.658 1.00 62.11 N ATOM 0 H LYS A 45 18.428 4.047 8.405 1.00 55.23 H new ATOM 0 HA LYS A 45 20.461 2.579 9.928 1.00 32.25 H new ATOM 0 HB2 LYS A 45 17.891 1.752 8.521 1.00 60.33 H new ATOM 0 HB3 LYS A 45 18.960 0.634 9.345 1.00 60.33 H new ATOM 0 HG2 LYS A 45 18.599 2.366 11.368 1.00 65.43 H new ATOM 0 HG3 LYS A 45 17.120 2.701 10.491 1.00 65.43 H new ATOM 0 HD2 LYS A 45 16.448 0.964 11.896 1.00 54.02 H new ATOM 0 HD3 LYS A 45 16.833 0.097 10.423 1.00 54.02 H new ATOM 0 HE2 LYS A 45 19.054 -0.492 11.296 1.00 1.23 H new ATOM 0 HE3 LYS A 45 18.782 0.478 12.730 1.00 1.23 H new ATOM 0 HZ1 LYS A 45 18.383 -1.858 13.164 1.00 62.11 H new ATOM 0 HZ2 LYS A 45 16.939 -0.981 13.335 1.00 62.11 H new ATOM 0 HZ3 LYS A 45 17.202 -1.921 11.945 1.00 62.11 H new ATOM 723 N ILE A 46 21.017 3.067 7.033 1.00 51.12 N ATOM 724 CA ILE A 46 21.770 2.742 5.828 1.00 74.33 C ATOM 725 C ILE A 46 23.239 3.123 5.977 1.00 34.24 C ATOM 726 O ILE A 46 24.117 2.502 5.378 1.00 51.43 O ATOM 727 CB ILE A 46 21.189 3.454 4.592 1.00 44.51 C ATOM 728 CG1 ILE A 46 19.720 3.074 4.400 1.00 51.02 C ATOM 729 CG2 ILE A 46 21.999 3.107 3.351 1.00 33.24 C ATOM 730 CD1 ILE A 46 19.051 3.804 3.256 1.00 3.00 C ATOM 0 H ILE A 46 20.881 4.066 7.189 1.00 51.12 H new ATOM 0 HA ILE A 46 21.690 1.664 5.687 1.00 74.33 H new ATOM 0 HB ILE A 46 21.248 4.531 4.751 1.00 44.51 H new ATOM 0 HG12 ILE A 46 19.651 2.000 4.225 1.00 51.02 H new ATOM 0 HG13 ILE A 46 19.176 3.283 5.321 1.00 51.02 H new ATOM 0 HG21 ILE A 46 21.576 3.618 2.486 1.00 33.24 H new ATOM 0 HG22 ILE A 46 23.032 3.425 3.490 1.00 33.24 H new ATOM 0 HG23 ILE A 46 21.969 2.030 3.187 1.00 33.24 H new ATOM 0 HD11 ILE A 46 18.012 3.485 3.179 1.00 3.00 H new ATOM 0 HD12 ILE A 46 19.088 4.878 3.438 1.00 3.00 H new ATOM 0 HD13 ILE A 46 19.571 3.576 2.325 1.00 3.00 H new ATOM 742 N LYS A 47 23.499 4.147 6.783 1.00 23.52 N ATOM 743 CA LYS A 47 24.862 4.610 7.016 1.00 61.01 C ATOM 744 C LYS A 47 25.509 3.842 8.164 1.00 2.42 C ATOM 745 O LYS A 47 26.733 3.809 8.288 1.00 62.14 O ATOM 746 CB LYS A 47 24.867 6.109 7.323 1.00 4.14 C ATOM 747 CG LYS A 47 24.147 6.468 8.611 1.00 15.42 C ATOM 748 CD LYS A 47 22.759 7.024 8.337 1.00 2.32 C ATOM 749 CE LYS A 47 22.801 8.521 8.072 1.00 41.35 C ATOM 750 NZ LYS A 47 23.139 8.824 6.653 1.00 20.31 N ATOM 0 H LYS A 47 22.784 4.672 7.286 1.00 23.52 H new ATOM 0 HA LYS A 47 25.441 4.429 6.110 1.00 61.01 H new ATOM 0 HB2 LYS A 47 25.899 6.455 7.385 1.00 4.14 H new ATOM 0 HB3 LYS A 47 24.401 6.643 6.495 1.00 4.14 H new ATOM 0 HG2 LYS A 47 24.068 5.584 9.243 1.00 15.42 H new ATOM 0 HG3 LYS A 47 24.732 7.203 9.163 1.00 15.42 H new ATOM 0 HD2 LYS A 47 22.324 6.513 7.478 1.00 2.32 H new ATOM 0 HD3 LYS A 47 22.110 6.822 9.189 1.00 2.32 H new ATOM 0 HE2 LYS A 47 21.834 8.960 8.317 1.00 41.35 H new ATOM 0 HE3 LYS A 47 23.537 8.985 8.728 1.00 41.35 H new ATOM 0 HZ1 LYS A 47 22.820 9.786 6.418 1.00 20.31 H new ATOM 0 HZ2 LYS A 47 24.168 8.758 6.520 1.00 20.31 H new ATOM 0 HZ3 LYS A 47 22.665 8.140 6.029 1.00 20.31 H new ATOM 764 N GLN A 48 24.679 3.227 9.000 1.00 25.33 N ATOM 765 CA GLN A 48 25.172 2.459 10.138 1.00 44.02 C ATOM 766 C GLN A 48 25.581 1.054 9.710 1.00 64.53 C ATOM 767 O GLN A 48 26.396 0.406 10.368 1.00 11.24 O ATOM 768 CB GLN A 48 24.104 2.382 11.229 1.00 33.35 C ATOM 769 CG GLN A 48 22.897 1.543 10.841 1.00 12.11 C ATOM 770 CD GLN A 48 21.800 1.580 11.887 1.00 73.13 C ATOM 771 OE1 GLN A 48 21.256 2.641 12.195 1.00 33.43 O ATOM 772 NE2 GLN A 48 21.468 0.418 12.438 1.00 2.45 N ATOM 0 H GLN A 48 23.663 3.245 8.911 1.00 25.33 H new ATOM 0 HA GLN A 48 26.050 2.968 10.535 1.00 44.02 H new ATOM 0 HB2 GLN A 48 24.549 1.967 12.133 1.00 33.35 H new ATOM 0 HB3 GLN A 48 23.772 3.391 11.472 1.00 33.35 H new ATOM 0 HG2 GLN A 48 22.500 1.901 9.891 1.00 12.11 H new ATOM 0 HG3 GLN A 48 23.211 0.511 10.686 1.00 12.11 H new ATOM 0 HE21 GLN A 48 21.946 -0.437 12.152 1.00 2.45 H new ATOM 0 HE22 GLN A 48 20.736 0.380 13.147 1.00 2.45 H new ATOM 781 N ILE A 49 25.011 0.588 8.604 1.00 61.23 N ATOM 782 CA ILE A 49 25.317 -0.741 8.088 1.00 4.30 C ATOM 783 C ILE A 49 26.592 -0.725 7.251 1.00 31.11 C ATOM 784 O ILE A 49 27.622 -1.264 7.658 1.00 31.42 O ATOM 785 CB ILE A 49 24.162 -1.293 7.233 1.00 53.23 C ATOM 786 CG1 ILE A 49 22.846 -1.226 8.010 1.00 14.32 C ATOM 787 CG2 ILE A 49 24.457 -2.722 6.803 1.00 71.02 C ATOM 788 CD1 ILE A 49 22.859 -2.029 9.292 1.00 63.22 C ATOM 0 H ILE A 49 24.335 1.111 8.048 1.00 61.23 H new ATOM 0 HA ILE A 49 25.460 -1.390 8.952 1.00 4.30 H new ATOM 0 HB ILE A 49 24.066 -0.678 6.338 1.00 53.23 H new ATOM 0 HG12 ILE A 49 22.625 -0.185 8.245 1.00 14.32 H new ATOM 0 HG13 ILE A 49 22.039 -1.587 7.373 1.00 14.32 H new ATOM 0 HG21 ILE A 49 23.631 -3.098 6.199 1.00 71.02 H new ATOM 0 HG22 ILE A 49 25.375 -2.743 6.216 1.00 71.02 H new ATOM 0 HG23 ILE A 49 24.577 -3.350 7.686 1.00 71.02 H new ATOM 0 HD11 ILE A 49 21.894 -1.935 9.790 1.00 63.22 H new ATOM 0 HD12 ILE A 49 23.048 -3.078 9.063 1.00 63.22 H new ATOM 0 HD13 ILE A 49 23.644 -1.654 9.948 1.00 63.22 H new ATOM 800 N LEU A 50 26.516 -0.102 6.080 1.00 25.41 N ATOM 801 CA LEU A 50 27.665 -0.014 5.185 1.00 21.01 C ATOM 802 C LEU A 50 28.676 1.008 5.695 1.00 13.24 C ATOM 803 O LEU A 50 29.814 0.666 6.012 1.00 21.02 O ATOM 804 CB LEU A 50 27.209 0.363 3.774 1.00 24.23 C ATOM 805 CG LEU A 50 25.943 -0.330 3.270 1.00 21.44 C ATOM 806 CD1 LEU A 50 25.536 0.223 1.914 1.00 72.45 C ATOM 807 CD2 LEU A 50 26.154 -1.836 3.194 1.00 54.44 C ATOM 0 H LEU A 50 25.672 0.349 5.728 1.00 25.41 H new ATOM 0 HA LEU A 50 28.147 -0.991 5.156 1.00 21.01 H new ATOM 0 HB2 LEU A 50 27.047 1.440 3.742 1.00 24.23 H new ATOM 0 HB3 LEU A 50 28.020 0.142 3.081 1.00 24.23 H new ATOM 0 HG LEU A 50 25.137 -0.132 3.976 1.00 21.44 H new ATOM 0 HD11 LEU A 50 24.633 -0.282 1.571 1.00 72.45 H new ATOM 0 HD12 LEU A 50 25.343 1.292 2.000 1.00 72.45 H new ATOM 0 HD13 LEU A 50 26.340 0.056 1.197 1.00 72.45 H new ATOM 0 HD21 LEU A 50 25.243 -2.313 2.833 1.00 54.44 H new ATOM 0 HD22 LEU A 50 26.974 -2.054 2.509 1.00 54.44 H new ATOM 0 HD23 LEU A 50 26.397 -2.220 4.185 1.00 54.44 H new ATOM 819 N GLY A 51 28.250 2.265 5.774 1.00 0.43 N ATOM 820 CA GLY A 51 29.129 3.318 6.249 1.00 63.11 C ATOM 821 C GLY A 51 29.246 4.464 5.264 1.00 62.12 C ATOM 822 O GLY A 51 30.330 5.015 5.068 1.00 31.14 O ATOM 0 H GLY A 51 27.312 2.573 5.518 1.00 0.43 H new ATOM 0 HA2 GLY A 51 28.755 3.697 7.200 1.00 63.11 H new ATOM 0 HA3 GLY A 51 30.119 2.903 6.438 1.00 63.11 H new ATOM 826 N ILE A 52 28.129 4.823 4.641 1.00 72.33 N ATOM 827 CA ILE A 52 28.111 5.910 3.670 1.00 4.01 C ATOM 828 C ILE A 52 28.319 7.258 4.351 1.00 14.45 C ATOM 829 O ILE A 52 27.751 7.525 5.411 1.00 52.42 O ATOM 830 CB ILE A 52 26.787 5.943 2.885 1.00 71.51 C ATOM 831 CG1 ILE A 52 26.846 7.006 1.786 1.00 62.40 C ATOM 832 CG2 ILE A 52 25.620 6.209 3.825 1.00 64.24 C ATOM 833 CD1 ILE A 52 27.721 6.616 0.615 1.00 73.11 C ATOM 0 H ILE A 52 27.224 4.377 4.791 1.00 72.33 H new ATOM 0 HA ILE A 52 28.930 5.726 2.975 1.00 4.01 H new ATOM 0 HB ILE A 52 26.636 4.971 2.416 1.00 71.51 H new ATOM 0 HG12 ILE A 52 25.836 7.201 1.425 1.00 62.40 H new ATOM 0 HG13 ILE A 52 27.218 7.938 2.212 1.00 62.40 H new ATOM 0 HG21 ILE A 52 24.691 6.229 3.255 1.00 64.24 H new ATOM 0 HG22 ILE A 52 25.569 5.419 4.574 1.00 64.24 H new ATOM 0 HG23 ILE A 52 25.763 7.170 4.320 1.00 64.24 H new ATOM 0 HD11 ILE A 52 27.716 7.416 -0.125 1.00 73.11 H new ATOM 0 HD12 ILE A 52 28.741 6.449 0.962 1.00 73.11 H new ATOM 0 HD13 ILE A 52 27.338 5.701 0.163 1.00 73.11 H new ATOM 845 N LYS A 53 29.135 8.107 3.736 1.00 71.13 N ATOM 846 CA LYS A 53 29.416 9.430 4.280 1.00 50.23 C ATOM 847 C LYS A 53 28.150 10.279 4.327 1.00 53.31 C ATOM 848 O LYS A 53 28.211 11.493 4.528 1.00 63.55 O ATOM 849 CB LYS A 53 30.484 10.134 3.439 1.00 75.34 C ATOM 850 CG LYS A 53 31.893 9.633 3.702 1.00 70.55 C ATOM 851 CD LYS A 53 32.918 10.394 2.878 1.00 23.21 C ATOM 852 CE LYS A 53 33.131 9.748 1.518 1.00 64.13 C ATOM 853 NZ LYS A 53 34.444 10.125 0.924 1.00 11.30 N ATOM 0 H LYS A 53 29.614 7.902 2.859 1.00 71.13 H new ATOM 0 HA LYS A 53 29.787 9.306 5.297 1.00 50.23 H new ATOM 0 HB2 LYS A 53 30.250 9.999 2.383 1.00 75.34 H new ATOM 0 HB3 LYS A 53 30.445 11.205 3.639 1.00 75.34 H new ATOM 0 HG2 LYS A 53 32.126 9.738 4.762 1.00 70.55 H new ATOM 0 HG3 LYS A 53 31.952 8.570 3.467 1.00 70.55 H new ATOM 0 HD2 LYS A 53 32.587 11.424 2.745 1.00 23.21 H new ATOM 0 HD3 LYS A 53 33.865 10.431 3.417 1.00 23.21 H new ATOM 0 HE2 LYS A 53 33.076 8.664 1.618 1.00 64.13 H new ATOM 0 HE3 LYS A 53 32.328 10.047 0.844 1.00 64.13 H new ATOM 0 HZ1 LYS A 53 34.551 9.664 -0.002 1.00 11.30 H new ATOM 0 HZ2 LYS A 53 34.487 11.157 0.805 1.00 11.30 H new ATOM 0 HZ3 LYS A 53 35.212 9.817 1.555 1.00 11.30 H new TER 867 LYS A 53