USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 408 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 6 HIS : no HD1:sc= -0.592 K(o=-0.59,f=-1.9) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 12 THR OG1 : rot 84:sc= 0.63 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.85) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0607 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 166:sc= 0 (180deg=-0.267) USER MOD Single : A 24 THR OG1 : rot -65:sc= 0.042 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.098 X(o=-0.098,f=-0.5) USER MOD Single : A 35 ASN : amide:sc= -0.027 X(o=-0.027,f=-0.33) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.05 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 7.378 5.696 -5.651 1.00 34.12 N ATOM 72 CA ASP A 5 6.837 6.909 -6.252 1.00 53.32 C ATOM 73 C ASP A 5 5.816 7.565 -5.328 1.00 11.53 C ATOM 74 O ASP A 5 6.062 8.638 -4.775 1.00 43.13 O ATOM 75 CB ASP A 5 6.191 6.591 -7.602 1.00 12.24 C ATOM 76 CG ASP A 5 7.136 6.820 -8.764 1.00 42.34 C ATOM 77 OD1 ASP A 5 7.200 5.950 -9.658 1.00 53.33 O ATOM 78 OD2 ASP A 5 7.812 7.870 -8.781 1.00 1.01 O ATOM 0 HA ASP A 5 7.661 7.606 -6.407 1.00 53.32 H new ATOM 0 HB2 ASP A 5 5.859 5.553 -7.607 1.00 12.24 H new ATOM 0 HB3 ASP A 5 5.304 7.210 -7.732 1.00 12.24 H new ATOM 83 N HIS A 6 4.668 6.915 -5.165 1.00 23.33 N ATOM 84 CA HIS A 6 3.609 7.435 -4.307 1.00 43.23 C ATOM 85 C HIS A 6 4.084 7.541 -2.861 1.00 72.21 C ATOM 86 O HIS A 6 3.581 8.358 -2.091 1.00 41.50 O ATOM 87 CB HIS A 6 2.373 6.539 -4.387 1.00 1.04 C ATOM 88 CG HIS A 6 1.114 7.214 -3.937 1.00 50.24 C ATOM 89 ND1 HIS A 6 0.684 8.421 -4.447 1.00 41.11 N ATOM 90 CD2 HIS A 6 0.189 6.844 -3.021 1.00 61.52 C ATOM 91 CE1 HIS A 6 -0.450 8.765 -3.863 1.00 22.42 C ATOM 92 NE2 HIS A 6 -0.772 7.824 -2.994 1.00 32.25 N ATOM 0 H HIS A 6 4.447 6.027 -5.616 1.00 23.33 H new ATOM 0 HA HIS A 6 3.347 8.433 -4.658 1.00 43.23 H new ATOM 0 HB2 HIS A 6 2.246 6.200 -5.415 1.00 1.04 H new ATOM 0 HB3 HIS A 6 2.538 5.651 -3.776 1.00 1.04 H new ATOM 0 HD2 HIS A 6 0.204 5.945 -2.423 1.00 61.52 H new ATOM 0 HE1 HIS A 6 -1.017 9.662 -4.062 1.00 22.42 H new ATOM 0 HE2 HIS A 6 -1.601 7.825 -2.399 1.00 32.25 H new ATOM 100 N ALA A 7 5.054 6.708 -2.499 1.00 71.44 N ATOM 101 CA ALA A 7 5.597 6.708 -1.147 1.00 14.44 C ATOM 102 C ALA A 7 6.345 8.005 -0.856 1.00 14.12 C ATOM 103 O ALA A 7 6.003 8.734 0.076 1.00 64.12 O ATOM 104 CB ALA A 7 6.514 5.511 -0.945 1.00 51.22 C ATOM 0 H ALA A 7 5.480 6.024 -3.124 1.00 71.44 H new ATOM 0 HA ALA A 7 4.764 6.635 -0.448 1.00 14.44 H new ATOM 0 HB1 ALA A 7 6.912 5.525 0.070 1.00 51.22 H new ATOM 0 HB2 ALA A 7 5.951 4.591 -1.102 1.00 51.22 H new ATOM 0 HB3 ALA A 7 7.337 5.559 -1.658 1.00 51.22 H new ATOM 110 N ARG A 8 7.366 8.286 -1.658 1.00 51.33 N ATOM 111 CA ARG A 8 8.163 9.495 -1.485 1.00 63.43 C ATOM 112 C ARG A 8 7.286 10.741 -1.561 1.00 73.51 C ATOM 113 O ARG A 8 7.597 11.770 -0.962 1.00 25.34 O ATOM 114 CB ARG A 8 9.260 9.564 -2.550 1.00 13.42 C ATOM 115 CG ARG A 8 8.730 9.519 -3.974 1.00 31.33 C ATOM 116 CD ARG A 8 9.795 9.929 -4.978 1.00 5.31 C ATOM 117 NE ARG A 8 9.446 11.166 -5.672 1.00 2.13 N ATOM 118 CZ ARG A 8 10.325 11.911 -6.333 1.00 10.33 C ATOM 119 NH1 ARG A 8 11.598 11.547 -6.390 1.00 24.34 N ATOM 120 NH2 ARG A 8 9.930 13.024 -6.939 1.00 23.21 N ATOM 0 H ARG A 8 7.661 7.693 -2.434 1.00 51.33 H new ATOM 0 HA ARG A 8 8.625 9.458 -0.498 1.00 63.43 H new ATOM 0 HB2 ARG A 8 9.831 10.482 -2.413 1.00 13.42 H new ATOM 0 HB3 ARG A 8 9.951 8.734 -2.402 1.00 13.42 H new ATOM 0 HG2 ARG A 8 8.382 8.512 -4.202 1.00 31.33 H new ATOM 0 HG3 ARG A 8 7.869 10.182 -4.064 1.00 31.33 H new ATOM 0 HD2 ARG A 8 10.747 10.058 -4.464 1.00 5.31 H new ATOM 0 HD3 ARG A 8 9.932 9.131 -5.707 1.00 5.31 H new ATOM 0 HE ARG A 8 8.474 11.475 -5.648 1.00 2.13 H new ATOM 0 HH11 ARG A 8 11.905 10.693 -5.925 1.00 24.34 H new ATOM 0 HH12 ARG A 8 12.270 12.121 -6.898 1.00 24.34 H new ATOM 0 HH21 ARG A 8 8.951 13.308 -6.897 1.00 23.21 H new ATOM 0 HH22 ARG A 8 10.605 13.596 -7.446 1.00 23.21 H new ATOM 134 N PHE A 9 6.187 10.640 -2.302 1.00 44.14 N ATOM 135 CA PHE A 9 5.265 11.759 -2.458 1.00 42.02 C ATOM 136 C PHE A 9 4.429 11.955 -1.197 1.00 23.53 C ATOM 137 O PHE A 9 4.443 13.026 -0.589 1.00 74.10 O ATOM 138 CB PHE A 9 4.348 11.528 -3.661 1.00 31.22 C ATOM 139 CG PHE A 9 4.921 12.025 -4.957 1.00 4.33 C ATOM 140 CD1 PHE A 9 5.335 13.341 -5.087 1.00 12.32 C ATOM 141 CD2 PHE A 9 5.047 11.177 -6.045 1.00 72.11 C ATOM 142 CE1 PHE A 9 5.863 13.802 -6.278 1.00 4.32 C ATOM 143 CE2 PHE A 9 5.575 11.632 -7.238 1.00 50.13 C ATOM 144 CZ PHE A 9 5.983 12.947 -7.355 1.00 74.33 C ATOM 0 H PHE A 9 5.913 9.795 -2.804 1.00 44.14 H new ATOM 0 HA PHE A 9 5.853 12.661 -2.626 1.00 42.02 H new ATOM 0 HB2 PHE A 9 4.141 10.462 -3.750 1.00 31.22 H new ATOM 0 HB3 PHE A 9 3.394 12.024 -3.481 1.00 31.22 H new ATOM 0 HD1 PHE A 9 5.244 14.014 -4.248 1.00 12.32 H new ATOM 0 HD2 PHE A 9 4.729 10.148 -5.960 1.00 72.11 H new ATOM 0 HE1 PHE A 9 6.181 14.830 -6.366 1.00 4.32 H new ATOM 0 HE2 PHE A 9 5.669 10.960 -8.079 1.00 50.13 H new ATOM 0 HZ PHE A 9 6.395 13.305 -8.287 1.00 74.33 H new ATOM 154 N LEU A 10 3.702 10.913 -0.809 1.00 22.41 N ATOM 155 CA LEU A 10 2.859 10.968 0.380 1.00 13.31 C ATOM 156 C LEU A 10 3.670 11.381 1.604 1.00 31.43 C ATOM 157 O LEU A 10 3.229 12.207 2.402 1.00 10.04 O ATOM 158 CB LEU A 10 2.199 9.610 0.625 1.00 14.32 C ATOM 159 CG LEU A 10 0.698 9.636 0.918 1.00 50.55 C ATOM 160 CD1 LEU A 10 -0.057 8.781 -0.088 1.00 43.02 C ATOM 161 CD2 LEU A 10 0.423 9.162 2.337 1.00 53.01 C ATOM 0 H LEU A 10 3.679 10.020 -1.301 1.00 22.41 H new ATOM 0 HA LEU A 10 2.084 11.716 0.212 1.00 13.31 H new ATOM 0 HB2 LEU A 10 2.367 8.984 -0.251 1.00 14.32 H new ATOM 0 HB3 LEU A 10 2.704 9.129 1.463 1.00 14.32 H new ATOM 0 HG LEU A 10 0.347 10.664 0.826 1.00 50.55 H new ATOM 0 HD11 LEU A 10 -1.123 8.812 0.136 1.00 43.02 H new ATOM 0 HD12 LEU A 10 0.114 9.166 -1.093 1.00 43.02 H new ATOM 0 HD13 LEU A 10 0.297 7.752 -0.029 1.00 43.02 H new ATOM 0 HD21 LEU A 10 -0.650 9.187 2.528 1.00 53.01 H new ATOM 0 HD22 LEU A 10 0.789 8.142 2.457 1.00 53.01 H new ATOM 0 HD23 LEU A 10 0.933 9.816 3.044 1.00 53.01 H new ATOM 173 N GLN A 11 4.858 10.801 1.744 1.00 74.54 N ATOM 174 CA GLN A 11 5.731 11.109 2.870 1.00 54.41 C ATOM 175 C GLN A 11 6.003 12.608 2.953 1.00 73.31 C ATOM 176 O GLN A 11 5.885 13.213 4.019 1.00 52.54 O ATOM 177 CB GLN A 11 7.050 10.346 2.744 1.00 31.42 C ATOM 178 CG GLN A 11 7.860 10.315 4.030 1.00 20.22 C ATOM 179 CD GLN A 11 9.226 9.684 3.845 1.00 72.34 C ATOM 180 OE1 GLN A 11 9.691 9.503 2.719 1.00 70.41 O ATOM 181 NE2 GLN A 11 9.877 9.345 4.951 1.00 1.01 N ATOM 0 H GLN A 11 5.238 10.115 1.091 1.00 74.54 H new ATOM 0 HA GLN A 11 5.226 10.798 3.785 1.00 54.41 H new ATOM 0 HB2 GLN A 11 6.840 9.323 2.432 1.00 31.42 H new ATOM 0 HB3 GLN A 11 7.650 10.802 1.957 1.00 31.42 H new ATOM 0 HG2 GLN A 11 7.981 11.332 4.403 1.00 20.22 H new ATOM 0 HG3 GLN A 11 7.308 9.761 4.789 1.00 20.22 H new ATOM 0 HE21 GLN A 11 9.454 9.513 5.864 1.00 1.01 H new ATOM 0 HE22 GLN A 11 10.800 8.916 4.888 1.00 1.01 H new ATOM 190 N THR A 12 6.368 13.202 1.821 1.00 60.52 N ATOM 191 CA THR A 12 6.659 14.629 1.766 1.00 75.45 C ATOM 192 C THR A 12 5.455 15.452 2.209 1.00 52.34 C ATOM 193 O THR A 12 5.570 16.323 3.071 1.00 40.05 O ATOM 194 CB THR A 12 7.070 15.064 0.346 1.00 34.32 C ATOM 195 OG1 THR A 12 8.317 14.457 -0.010 1.00 74.23 O ATOM 196 CG2 THR A 12 7.193 16.577 0.259 1.00 40.33 C ATOM 0 H THR A 12 6.469 12.716 0.930 1.00 60.52 H new ATOM 0 HA THR A 12 7.490 14.809 2.448 1.00 75.45 H new ATOM 0 HB THR A 12 6.296 14.738 -0.349 1.00 34.32 H new ATOM 0 HG1 THR A 12 8.155 13.554 -0.354 1.00 74.23 H new ATOM 0 HG21 THR A 12 7.484 16.861 -0.752 1.00 40.33 H new ATOM 0 HG22 THR A 12 6.234 17.035 0.503 1.00 40.33 H new ATOM 0 HG23 THR A 12 7.949 16.922 0.964 1.00 40.33 H new ATOM 204 N ALA A 13 4.300 15.171 1.614 1.00 10.01 N ATOM 205 CA ALA A 13 3.074 15.885 1.950 1.00 61.50 C ATOM 206 C ALA A 13 2.841 15.897 3.457 1.00 63.50 C ATOM 207 O ALA A 13 2.505 16.930 4.036 1.00 71.13 O ATOM 208 CB ALA A 13 1.886 15.258 1.235 1.00 20.24 C ATOM 0 H ALA A 13 4.188 14.454 0.897 1.00 10.01 H new ATOM 0 HA ALA A 13 3.181 16.917 1.617 1.00 61.50 H new ATOM 0 HB1 ALA A 13 0.977 15.801 1.495 1.00 20.24 H new ATOM 0 HB2 ALA A 13 2.043 15.307 0.157 1.00 20.24 H new ATOM 0 HB3 ALA A 13 1.786 14.216 1.540 1.00 20.24 H new ATOM 214 N LYS A 14 3.022 14.741 4.088 1.00 13.30 N ATOM 215 CA LYS A 14 2.832 14.618 5.528 1.00 20.14 C ATOM 216 C LYS A 14 3.941 15.340 6.287 1.00 21.20 C ATOM 217 O LYS A 14 3.678 16.079 7.235 1.00 61.33 O ATOM 218 CB LYS A 14 2.798 13.143 5.935 1.00 64.23 C ATOM 219 CG LYS A 14 1.461 12.471 5.677 1.00 54.32 C ATOM 220 CD LYS A 14 0.884 11.871 6.948 1.00 71.21 C ATOM 221 CE LYS A 14 0.206 12.928 7.806 1.00 74.12 C ATOM 222 NZ LYS A 14 -1.047 12.417 8.428 1.00 53.11 N ATOM 0 H LYS A 14 3.300 13.876 3.624 1.00 13.30 H new ATOM 0 HA LYS A 14 1.879 15.081 5.784 1.00 20.14 H new ATOM 0 HB2 LYS A 14 3.576 12.607 5.391 1.00 64.23 H new ATOM 0 HB3 LYS A 14 3.037 13.062 6.995 1.00 64.23 H new ATOM 0 HG2 LYS A 14 0.761 13.198 5.266 1.00 54.32 H new ATOM 0 HG3 LYS A 14 1.584 11.689 4.928 1.00 54.32 H new ATOM 0 HD2 LYS A 14 0.165 11.094 6.691 1.00 71.21 H new ATOM 0 HD3 LYS A 14 1.679 11.393 7.519 1.00 71.21 H new ATOM 0 HE2 LYS A 14 0.892 13.256 8.587 1.00 74.12 H new ATOM 0 HE3 LYS A 14 -0.022 13.801 7.194 1.00 74.12 H new ATOM 0 HZ1 LYS A 14 -1.479 13.167 9.005 1.00 53.11 H new ATOM 0 HZ2 LYS A 14 -1.712 12.127 7.682 1.00 53.11 H new ATOM 0 HZ3 LYS A 14 -0.826 11.600 9.032 1.00 53.11 H new ATOM 236 N ASN A 15 5.181 15.122 5.862 1.00 24.53 N ATOM 237 CA ASN A 15 6.330 15.753 6.502 1.00 64.55 C ATOM 238 C ASN A 15 6.173 17.270 6.527 1.00 24.11 C ATOM 239 O ASN A 15 6.746 17.949 7.380 1.00 32.21 O ATOM 240 CB ASN A 15 7.619 15.374 5.769 1.00 4.20 C ATOM 241 CG ASN A 15 8.644 14.741 6.691 1.00 52.42 C ATOM 242 OD1 ASN A 15 8.693 15.044 7.883 1.00 32.43 O ATOM 243 ND2 ASN A 15 9.469 13.858 6.141 1.00 53.13 N ATOM 0 H ASN A 15 5.416 14.514 5.078 1.00 24.53 H new ATOM 0 HA ASN A 15 6.385 15.394 7.530 1.00 64.55 H new ATOM 0 HB2 ASN A 15 7.384 14.681 4.961 1.00 4.20 H new ATOM 0 HB3 ASN A 15 8.048 16.265 5.310 1.00 4.20 H new ATOM 0 HD21 ASN A 15 10.180 13.400 6.711 1.00 53.13 H new ATOM 0 HD22 ASN A 15 9.392 13.637 5.148 1.00 53.13 H new ATOM 250 N ILE A 16 5.394 17.794 5.587 1.00 1.44 N ATOM 251 CA ILE A 16 5.160 19.231 5.503 1.00 24.34 C ATOM 252 C ILE A 16 4.226 19.701 6.613 1.00 41.42 C ATOM 253 O ILE A 16 4.550 20.621 7.365 1.00 24.23 O ATOM 254 CB ILE A 16 4.561 19.625 4.141 1.00 74.32 C ATOM 255 CG1 ILE A 16 5.540 19.293 3.013 1.00 51.41 C ATOM 256 CG2 ILE A 16 4.208 21.105 4.125 1.00 34.55 C ATOM 257 CD1 ILE A 16 4.862 18.857 1.733 1.00 21.40 C ATOM 0 H ILE A 16 4.914 17.246 4.873 1.00 1.44 H new ATOM 0 HA ILE A 16 6.129 19.716 5.618 1.00 24.34 H new ATOM 0 HB ILE A 16 3.647 19.052 3.984 1.00 74.32 H new ATOM 0 HG12 ILE A 16 6.156 20.169 2.808 1.00 51.41 H new ATOM 0 HG13 ILE A 16 6.211 18.502 3.347 1.00 51.41 H new ATOM 0 HG21 ILE A 16 3.786 21.368 3.155 1.00 34.55 H new ATOM 0 HG22 ILE A 16 3.478 21.313 4.907 1.00 34.55 H new ATOM 0 HG23 ILE A 16 5.107 21.695 4.301 1.00 34.55 H new ATOM 0 HD11 ILE A 16 5.617 18.638 0.978 1.00 21.40 H new ATOM 0 HD12 ILE A 16 4.268 17.963 1.922 1.00 21.40 H new ATOM 0 HD13 ILE A 16 4.212 19.656 1.375 1.00 21.40 H new ATOM 269 N THR A 17 3.064 19.064 6.711 1.00 73.44 N ATOM 270 CA THR A 17 2.082 19.416 7.728 1.00 32.03 C ATOM 271 C THR A 17 2.537 18.965 9.111 1.00 22.43 C ATOM 272 O THR A 17 2.111 19.516 10.125 1.00 34.12 O ATOM 273 CB THR A 17 0.707 18.791 7.423 1.00 25.34 C ATOM 274 OG1 THR A 17 0.644 18.393 6.049 1.00 23.23 O ATOM 275 CG2 THR A 17 -0.413 19.774 7.724 1.00 53.52 C ATOM 0 H THR A 17 2.780 18.300 6.097 1.00 73.44 H new ATOM 0 HA THR A 17 1.990 20.502 7.715 1.00 32.03 H new ATOM 0 HB THR A 17 0.581 17.916 8.060 1.00 25.34 H new ATOM 0 HG1 THR A 17 -0.232 17.995 5.864 1.00 23.23 H new ATOM 0 HG21 THR A 17 -1.374 19.310 7.501 1.00 53.52 H new ATOM 0 HG22 THR A 17 -0.380 20.052 8.778 1.00 53.52 H new ATOM 0 HG23 THR A 17 -0.289 20.666 7.110 1.00 53.52 H new ATOM 283 N GLU A 18 3.406 17.959 9.144 1.00 3.12 N ATOM 284 CA GLU A 18 3.919 17.434 10.404 1.00 11.45 C ATOM 285 C GLU A 18 5.006 18.344 10.971 1.00 73.25 C ATOM 286 O GLU A 18 5.101 18.535 12.183 1.00 31.41 O ATOM 287 CB GLU A 18 4.472 16.022 10.207 1.00 65.32 C ATOM 288 CG GLU A 18 3.401 14.945 10.191 1.00 72.23 C ATOM 289 CD GLU A 18 3.981 13.544 10.174 1.00 4.14 C ATOM 290 OE1 GLU A 18 3.347 12.646 9.581 1.00 10.54 O ATOM 291 OE2 GLU A 18 5.069 13.345 10.754 1.00 3.32 O ATOM 0 H GLU A 18 3.769 17.492 8.313 1.00 3.12 H new ATOM 0 HA GLU A 18 3.094 17.397 11.115 1.00 11.45 H new ATOM 0 HB2 GLU A 18 5.026 15.986 9.269 1.00 65.32 H new ATOM 0 HB3 GLU A 18 5.182 15.804 11.005 1.00 65.32 H new ATOM 0 HG2 GLU A 18 2.763 15.059 11.068 1.00 72.23 H new ATOM 0 HG3 GLU A 18 2.767 15.082 9.315 1.00 72.23 H new ATOM 298 N ARG A 19 5.823 18.902 10.084 1.00 63.23 N ATOM 299 CA ARG A 19 6.905 19.789 10.494 1.00 14.50 C ATOM 300 C ARG A 19 6.356 21.134 10.962 1.00 10.14 C ATOM 301 O ARG A 19 6.765 21.656 12.000 1.00 40.25 O ATOM 302 CB ARG A 19 7.885 20.001 9.339 1.00 4.03 C ATOM 303 CG ARG A 19 9.209 20.612 9.769 1.00 41.23 C ATOM 304 CD ARG A 19 9.616 21.758 8.855 1.00 22.23 C ATOM 305 NE ARG A 19 10.943 22.274 9.183 1.00 73.25 N ATOM 306 CZ ARG A 19 11.534 23.258 8.514 1.00 31.21 C ATOM 307 NH1 ARG A 19 10.919 23.829 7.488 1.00 42.33 N ATOM 308 NH2 ARG A 19 12.742 23.672 8.872 1.00 4.33 N ATOM 0 H ARG A 19 5.756 18.756 9.077 1.00 63.23 H new ATOM 0 HA ARG A 19 7.431 19.320 11.326 1.00 14.50 H new ATOM 0 HB2 ARG A 19 8.076 19.043 8.855 1.00 4.03 H new ATOM 0 HB3 ARG A 19 7.421 20.647 8.594 1.00 4.03 H new ATOM 0 HG2 ARG A 19 9.128 20.974 10.794 1.00 41.23 H new ATOM 0 HG3 ARG A 19 9.984 19.846 9.761 1.00 41.23 H new ATOM 0 HD2 ARG A 19 9.605 21.418 7.820 1.00 22.23 H new ATOM 0 HD3 ARG A 19 8.884 22.562 8.934 1.00 22.23 H new ATOM 0 HE ARG A 19 11.443 21.856 9.968 1.00 73.25 H new ATOM 0 HH11 ARG A 19 9.990 23.513 7.210 1.00 42.33 H new ATOM 0 HH12 ARG A 19 11.375 24.584 6.976 1.00 42.33 H new ATOM 0 HH21 ARG A 19 13.218 23.235 9.661 1.00 4.33 H new ATOM 0 HH22 ARG A 19 13.195 24.427 8.358 1.00 4.33 H new ATOM 322 N VAL A 20 5.428 21.690 10.190 1.00 15.04 N ATOM 323 CA VAL A 20 4.822 22.973 10.526 1.00 42.30 C ATOM 324 C VAL A 20 4.179 22.933 11.908 1.00 44.13 C ATOM 325 O VAL A 20 4.254 23.899 12.667 1.00 53.44 O ATOM 326 CB VAL A 20 3.759 23.381 9.489 1.00 70.32 C ATOM 327 CG1 VAL A 20 2.676 22.317 9.388 1.00 11.42 C ATOM 328 CG2 VAL A 20 3.159 24.733 9.844 1.00 30.43 C ATOM 0 H VAL A 20 5.079 21.272 9.327 1.00 15.04 H new ATOM 0 HA VAL A 20 5.624 23.711 10.523 1.00 42.30 H new ATOM 0 HB VAL A 20 4.241 23.468 8.515 1.00 70.32 H new ATOM 0 HG11 VAL A 20 1.934 22.622 8.651 1.00 11.42 H new ATOM 0 HG12 VAL A 20 3.123 21.371 9.083 1.00 11.42 H new ATOM 0 HG13 VAL A 20 2.195 22.195 10.358 1.00 11.42 H new ATOM 0 HG21 VAL A 20 2.410 25.005 9.100 1.00 30.43 H new ATOM 0 HG22 VAL A 20 2.691 24.677 10.827 1.00 30.43 H new ATOM 0 HG23 VAL A 20 3.946 25.487 9.860 1.00 30.43 H new ATOM 338 N SER A 21 3.548 21.808 12.228 1.00 23.03 N ATOM 339 CA SER A 21 2.889 21.642 13.518 1.00 12.32 C ATOM 340 C SER A 21 3.910 21.619 14.651 1.00 1.24 C ATOM 341 O SER A 21 3.783 22.353 15.631 1.00 35.54 O ATOM 342 CB SER A 21 2.066 20.353 13.532 1.00 35.11 C ATOM 343 OG SER A 21 2.018 19.792 14.833 1.00 42.04 O ATOM 0 H SER A 21 3.479 20.998 11.612 1.00 23.03 H new ATOM 0 HA SER A 21 2.223 22.492 13.670 1.00 12.32 H new ATOM 0 HB2 SER A 21 1.054 20.560 13.185 1.00 35.11 H new ATOM 0 HB3 SER A 21 2.500 19.633 12.838 1.00 35.11 H new ATOM 0 HG SER A 21 1.485 18.970 14.815 1.00 42.04 H new ATOM 349 N MET A 22 4.923 20.771 14.509 1.00 4.11 N ATOM 350 CA MET A 22 5.968 20.653 15.520 1.00 70.42 C ATOM 351 C MET A 22 6.631 22.002 15.777 1.00 31.03 C ATOM 352 O MET A 22 7.207 22.228 16.841 1.00 30.00 O ATOM 353 CB MET A 22 7.018 19.631 15.081 1.00 64.41 C ATOM 354 CG MET A 22 7.807 19.035 16.236 1.00 10.30 C ATOM 355 SD MET A 22 8.435 17.385 15.871 1.00 43.23 S ATOM 356 CE MET A 22 9.261 17.676 14.308 1.00 25.33 C ATOM 0 H MET A 22 5.043 20.156 13.704 1.00 4.11 H new ATOM 0 HA MET A 22 5.506 20.313 16.447 1.00 70.42 H new ATOM 0 HB2 MET A 22 6.524 18.827 14.536 1.00 64.41 H new ATOM 0 HB3 MET A 22 7.710 20.108 14.387 1.00 64.41 H new ATOM 0 HG2 MET A 22 8.642 19.692 16.477 1.00 10.30 H new ATOM 0 HG3 MET A 22 7.171 18.990 17.120 1.00 10.30 H new ATOM 0 HE1 MET A 22 9.905 16.828 14.073 1.00 25.33 H new ATOM 0 HE2 MET A 22 8.517 17.796 13.520 1.00 25.33 H new ATOM 0 HE3 MET A 22 9.864 18.581 14.378 1.00 25.33 H new ATOM 366 N ALA A 23 6.546 22.895 14.797 1.00 74.03 N ATOM 367 CA ALA A 23 7.136 24.222 14.919 1.00 52.14 C ATOM 368 C ALA A 23 6.191 25.179 15.638 1.00 42.13 C ATOM 369 O ALA A 23 6.630 26.103 16.324 1.00 54.35 O ATOM 370 CB ALA A 23 7.497 24.767 13.545 1.00 43.22 C ATOM 0 H ALA A 23 6.074 22.723 13.909 1.00 74.03 H new ATOM 0 HA ALA A 23 8.045 24.135 15.514 1.00 52.14 H new ATOM 0 HB1 ALA A 23 7.937 25.759 13.651 1.00 43.22 H new ATOM 0 HB2 ALA A 23 8.215 24.101 13.067 1.00 43.22 H new ATOM 0 HB3 ALA A 23 6.598 24.832 12.932 1.00 43.22 H new ATOM 376 N THR A 24 4.891 24.953 15.477 1.00 60.35 N ATOM 377 CA THR A 24 3.884 25.796 16.109 1.00 63.24 C ATOM 378 C THR A 24 3.729 25.453 17.586 1.00 74.23 C ATOM 379 O THR A 24 3.782 26.332 18.446 1.00 74.44 O ATOM 380 CB THR A 24 2.517 25.655 15.414 1.00 52.13 C ATOM 381 OG1 THR A 24 2.568 24.608 14.438 1.00 24.14 O ATOM 382 CG2 THR A 24 2.114 26.960 14.743 1.00 33.24 C ATOM 0 H THR A 24 4.511 24.192 14.914 1.00 60.35 H new ATOM 0 HA THR A 24 4.227 26.826 16.012 1.00 63.24 H new ATOM 0 HB THR A 24 1.773 25.409 16.172 1.00 52.13 H new ATOM 0 HG1 THR A 24 3.190 24.858 13.723 1.00 24.14 H new ATOM 0 HG21 THR A 24 1.145 26.836 14.259 1.00 33.24 H new ATOM 0 HG22 THR A 24 2.047 27.749 15.492 1.00 33.24 H new ATOM 0 HG23 THR A 24 2.861 27.231 13.997 1.00 33.24 H new ATOM 390 N ALA A 25 3.537 24.170 17.873 1.00 32.44 N ATOM 391 CA ALA A 25 3.376 23.710 19.247 1.00 3.55 C ATOM 392 C ALA A 25 4.637 23.971 20.064 1.00 3.03 C ATOM 393 O ALA A 25 4.589 24.621 21.109 1.00 73.42 O ATOM 394 CB ALA A 25 3.026 22.230 19.272 1.00 51.12 C ATOM 0 H ALA A 25 3.489 23.430 17.172 1.00 32.44 H new ATOM 0 HA ALA A 25 2.558 24.272 19.698 1.00 3.55 H new ATOM 0 HB1 ALA A 25 2.909 21.901 20.305 1.00 51.12 H new ATOM 0 HB2 ALA A 25 2.093 22.067 18.732 1.00 51.12 H new ATOM 0 HB3 ALA A 25 3.824 21.659 18.798 1.00 51.12 H new ATOM 400 N SER A 26 5.765 23.460 19.582 1.00 64.41 N ATOM 401 CA SER A 26 7.039 23.633 20.270 1.00 2.42 C ATOM 402 C SER A 26 7.334 25.112 20.501 1.00 4.35 C ATOM 403 O SER A 26 7.942 25.486 21.505 1.00 62.14 O ATOM 404 CB SER A 26 8.171 22.996 19.462 1.00 50.22 C ATOM 405 OG SER A 26 9.354 22.892 20.235 1.00 50.11 O ATOM 0 H SER A 26 5.823 22.922 18.717 1.00 64.41 H new ATOM 0 HA SER A 26 6.971 23.137 21.238 1.00 2.42 H new ATOM 0 HB2 SER A 26 7.867 22.006 19.122 1.00 50.22 H new ATOM 0 HB3 SER A 26 8.366 23.593 18.571 1.00 50.22 H new ATOM 0 HG SER A 26 10.062 22.480 19.696 1.00 50.11 H new ATOM 411 N SER A 27 6.899 25.950 19.565 1.00 22.43 N ATOM 412 CA SER A 27 7.119 27.388 19.664 1.00 64.32 C ATOM 413 C SER A 27 6.439 27.958 20.905 1.00 70.34 C ATOM 414 O SER A 27 7.072 28.628 21.719 1.00 4.32 O ATOM 415 CB SER A 27 6.595 28.092 18.411 1.00 14.33 C ATOM 416 OG SER A 27 6.296 29.451 18.678 1.00 14.53 O ATOM 0 H SER A 27 6.392 25.658 18.730 1.00 22.43 H new ATOM 0 HA SER A 27 8.192 27.562 19.748 1.00 64.32 H new ATOM 0 HB2 SER A 27 7.339 28.029 17.617 1.00 14.33 H new ATOM 0 HB3 SER A 27 5.701 27.583 18.051 1.00 14.33 H new ATOM 0 HG SER A 27 5.964 29.880 17.861 1.00 14.53 H new ATOM 422 N GLN A 28 5.145 27.685 21.040 1.00 1.50 N ATOM 423 CA GLN A 28 4.378 28.172 22.181 1.00 70.33 C ATOM 424 C GLN A 28 3.820 27.010 22.996 1.00 14.11 C ATOM 425 O GLN A 28 4.321 26.698 24.076 1.00 4.32 O ATOM 426 CB GLN A 28 3.237 29.073 21.708 1.00 55.44 C ATOM 427 CG GLN A 28 3.672 30.498 21.406 1.00 12.43 C ATOM 428 CD GLN A 28 2.851 31.530 22.155 1.00 60.02 C ATOM 429 OE1 GLN A 28 2.513 31.342 23.324 1.00 60.01 O ATOM 430 NE2 GLN A 28 2.526 32.628 21.484 1.00 55.55 N ATOM 0 H GLN A 28 4.606 27.130 20.375 1.00 1.50 H new ATOM 0 HA GLN A 28 5.048 28.750 22.817 1.00 70.33 H new ATOM 0 HB2 GLN A 28 2.791 28.641 20.812 1.00 55.44 H new ATOM 0 HB3 GLN A 28 2.460 29.093 22.473 1.00 55.44 H new ATOM 0 HG2 GLN A 28 4.723 30.616 21.668 1.00 12.43 H new ATOM 0 HG3 GLN A 28 3.588 30.680 20.335 1.00 12.43 H new ATOM 0 HE21 GLN A 28 2.827 32.742 20.516 1.00 55.55 H new ATOM 0 HE22 GLN A 28 1.975 33.358 21.936 1.00 55.55 H new ATOM 439 N VAL A 29 2.777 26.373 22.472 1.00 24.41 N ATOM 440 CA VAL A 29 2.151 25.245 23.151 1.00 72.31 C ATOM 441 C VAL A 29 0.984 24.694 22.339 1.00 12.02 C ATOM 442 O VAL A 29 0.681 23.501 22.397 1.00 51.52 O ATOM 443 CB VAL A 29 1.646 25.642 24.551 1.00 50.12 C ATOM 444 CG1 VAL A 29 0.747 26.866 24.467 1.00 74.04 C ATOM 445 CG2 VAL A 29 0.916 24.478 25.204 1.00 43.01 C ATOM 0 H VAL A 29 2.348 26.619 21.580 1.00 24.41 H new ATOM 0 HA VAL A 29 2.915 24.474 23.254 1.00 72.31 H new ATOM 0 HB VAL A 29 2.507 25.895 25.170 1.00 50.12 H new ATOM 0 HG11 VAL A 29 0.400 27.132 25.465 1.00 74.04 H new ATOM 0 HG12 VAL A 29 1.307 27.700 24.044 1.00 74.04 H new ATOM 0 HG13 VAL A 29 -0.111 26.645 23.832 1.00 74.04 H new ATOM 0 HG21 VAL A 29 0.566 24.776 26.192 1.00 43.01 H new ATOM 0 HG22 VAL A 29 0.063 24.192 24.588 1.00 43.01 H new ATOM 0 HG23 VAL A 29 1.595 23.631 25.300 1.00 43.01 H new ATOM 455 N LEU A 30 0.332 25.570 21.582 1.00 34.44 N ATOM 456 CA LEU A 30 -0.803 25.172 20.757 1.00 74.51 C ATOM 457 C LEU A 30 -2.024 24.868 21.619 1.00 32.35 C ATOM 458 O LEU A 30 -2.248 23.723 22.015 1.00 45.12 O ATOM 459 CB LEU A 30 -0.442 23.947 19.915 1.00 71.41 C ATOM 460 CG LEU A 30 -1.122 23.847 18.549 1.00 60.21 C ATOM 461 CD1 LEU A 30 -0.159 24.248 17.443 1.00 64.14 C ATOM 462 CD2 LEU A 30 -1.647 22.438 18.316 1.00 33.33 C ATOM 0 H LEU A 30 0.570 26.560 21.523 1.00 34.44 H new ATOM 0 HA LEU A 30 -1.047 26.002 20.094 1.00 74.51 H new ATOM 0 HB2 LEU A 30 0.637 23.941 19.762 1.00 71.41 H new ATOM 0 HB3 LEU A 30 -0.688 23.052 20.487 1.00 71.41 H new ATOM 0 HG LEU A 30 -1.967 24.535 18.534 1.00 60.21 H new ATOM 0 HD11 LEU A 30 -0.660 24.171 16.478 1.00 64.14 H new ATOM 0 HD12 LEU A 30 0.168 25.276 17.600 1.00 64.14 H new ATOM 0 HD13 LEU A 30 0.706 23.586 17.456 1.00 64.14 H new ATOM 0 HD21 LEU A 30 -2.128 22.386 17.339 1.00 33.33 H new ATOM 0 HD22 LEU A 30 -0.818 21.731 18.351 1.00 33.33 H new ATOM 0 HD23 LEU A 30 -2.371 22.187 19.091 1.00 33.33 H new ATOM 474 N ILE A 31 -2.811 25.899 21.906 1.00 55.14 N ATOM 475 CA ILE A 31 -4.011 25.741 22.718 1.00 12.32 C ATOM 476 C ILE A 31 -5.049 26.805 22.378 1.00 54.10 C ATOM 477 O ILE A 31 -4.727 27.889 21.890 1.00 74.42 O ATOM 478 CB ILE A 31 -3.687 25.819 24.222 1.00 61.22 C ATOM 479 CG1 ILE A 31 -2.804 27.034 24.513 1.00 23.33 C ATOM 480 CG2 ILE A 31 -3.006 24.539 24.683 1.00 10.04 C ATOM 481 CD1 ILE A 31 -3.342 27.923 25.612 1.00 34.42 C ATOM 0 H ILE A 31 -2.639 26.853 21.588 1.00 55.14 H new ATOM 0 HA ILE A 31 -4.417 24.755 22.492 1.00 12.32 H new ATOM 0 HB ILE A 31 -4.620 25.931 24.775 1.00 61.22 H new ATOM 0 HG12 ILE A 31 -1.807 26.691 24.790 1.00 23.33 H new ATOM 0 HG13 ILE A 31 -2.697 27.622 23.601 1.00 23.33 H new ATOM 0 HG21 ILE A 31 -2.783 24.609 25.748 1.00 10.04 H new ATOM 0 HG22 ILE A 31 -3.667 23.691 24.505 1.00 10.04 H new ATOM 0 HG23 ILE A 31 -2.079 24.399 24.127 1.00 10.04 H new ATOM 0 HD11 ILE A 31 -2.665 28.764 25.764 1.00 34.42 H new ATOM 0 HD12 ILE A 31 -4.326 28.296 25.329 1.00 34.42 H new ATOM 0 HD13 ILE A 31 -3.423 27.351 26.536 1.00 34.42 H new ATOM 493 N PRO A 32 -6.326 26.492 22.643 1.00 74.32 N ATOM 494 CA PRO A 32 -7.438 27.408 22.375 1.00 54.51 C ATOM 495 C PRO A 32 -7.437 28.611 23.312 1.00 2.31 C ATOM 496 O PRO A 32 -8.131 28.618 24.328 1.00 54.42 O ATOM 497 CB PRO A 32 -8.678 26.543 22.617 1.00 3.34 C ATOM 498 CG PRO A 32 -8.223 25.487 23.564 1.00 1.14 C ATOM 499 CD PRO A 32 -6.783 25.218 23.225 1.00 41.44 C ATOM 0 HA PRO A 32 -7.385 27.829 21.371 1.00 54.51 H new ATOM 0 HB2 PRO A 32 -9.494 27.130 23.040 1.00 3.34 H new ATOM 0 HB3 PRO A 32 -9.046 26.109 21.687 1.00 3.34 H new ATOM 0 HG2 PRO A 32 -8.325 25.819 24.597 1.00 1.14 H new ATOM 0 HG3 PRO A 32 -8.824 24.584 23.459 1.00 1.14 H new ATOM 0 HD2 PRO A 32 -6.205 24.950 24.110 1.00 41.44 H new ATOM 0 HD3 PRO A 32 -6.684 24.395 22.518 1.00 41.44 H new ATOM 507 N GLU A 33 -6.652 29.626 22.964 1.00 54.44 N ATOM 508 CA GLU A 33 -6.561 30.834 23.775 1.00 13.34 C ATOM 509 C GLU A 33 -7.617 31.853 23.356 1.00 73.24 C ATOM 510 O GLU A 33 -8.618 32.046 24.047 1.00 62.00 O ATOM 511 CB GLU A 33 -5.166 31.451 23.657 1.00 52.33 C ATOM 512 CG GLU A 33 -4.331 31.314 24.918 1.00 3.44 C ATOM 513 CD GLU A 33 -3.698 32.625 25.344 1.00 13.15 C ATOM 514 OE1 GLU A 33 -2.850 33.146 24.590 1.00 11.44 O ATOM 515 OE2 GLU A 33 -4.051 33.129 26.431 1.00 1.10 O ATOM 0 H GLU A 33 -6.070 29.635 22.126 1.00 54.44 H new ATOM 0 HA GLU A 33 -6.741 30.557 24.814 1.00 13.34 H new ATOM 0 HB2 GLU A 33 -4.638 30.979 22.829 1.00 52.33 H new ATOM 0 HB3 GLU A 33 -5.265 32.508 23.410 1.00 52.33 H new ATOM 0 HG2 GLU A 33 -4.959 30.939 25.726 1.00 3.44 H new ATOM 0 HG3 GLU A 33 -3.548 30.574 24.752 1.00 3.44 H new ATOM 522 N ILE A 34 -7.386 32.501 22.219 1.00 13.42 N ATOM 523 CA ILE A 34 -8.317 33.499 21.707 1.00 51.30 C ATOM 524 C ILE A 34 -8.284 33.551 20.183 1.00 4.43 C ATOM 525 O ILE A 34 -9.213 33.098 19.516 1.00 4.22 O ATOM 526 CB ILE A 34 -8.003 34.900 22.264 1.00 13.33 C ATOM 527 CG1 ILE A 34 -8.059 34.889 23.793 1.00 14.13 C ATOM 528 CG2 ILE A 34 -8.977 35.925 21.701 1.00 64.24 C ATOM 529 CD1 ILE A 34 -7.767 36.235 24.419 1.00 45.04 C ATOM 0 H ILE A 34 -6.563 32.353 21.635 1.00 13.42 H new ATOM 0 HA ILE A 34 -9.312 33.201 22.037 1.00 51.30 H new ATOM 0 HB ILE A 34 -6.995 35.179 21.957 1.00 13.33 H new ATOM 0 HG12 ILE A 34 -9.048 34.557 24.110 1.00 14.13 H new ATOM 0 HG13 ILE A 34 -7.342 34.159 24.169 1.00 14.13 H new ATOM 0 HG21 ILE A 34 -8.742 36.910 22.104 1.00 64.24 H new ATOM 0 HG22 ILE A 34 -8.893 35.948 20.614 1.00 64.24 H new ATOM 0 HG23 ILE A 34 -9.995 35.652 21.981 1.00 64.24 H new ATOM 0 HD11 ILE A 34 -7.824 36.152 25.504 1.00 45.04 H new ATOM 0 HD12 ILE A 34 -6.767 36.560 24.132 1.00 45.04 H new ATOM 0 HD13 ILE A 34 -8.499 36.964 24.072 1.00 45.04 H new ATOM 541 N ASN A 35 -7.205 34.106 19.639 1.00 13.12 N ATOM 542 CA ASN A 35 -7.050 34.216 18.193 1.00 4.33 C ATOM 543 C ASN A 35 -5.992 33.242 17.684 1.00 22.12 C ATOM 544 O ASN A 35 -5.798 33.094 16.477 1.00 60.22 O ATOM 545 CB ASN A 35 -6.669 35.647 17.808 1.00 4.21 C ATOM 546 CG ASN A 35 -7.794 36.374 17.097 1.00 61.30 C ATOM 547 OD1 ASN A 35 -8.393 35.847 16.160 1.00 73.43 O ATOM 548 ND2 ASN A 35 -8.086 37.591 17.541 1.00 64.24 N ATOM 0 H ASN A 35 -6.426 34.486 20.177 1.00 13.12 H new ATOM 0 HA ASN A 35 -8.004 33.964 17.730 1.00 4.33 H new ATOM 0 HB2 ASN A 35 -6.393 36.200 18.706 1.00 4.21 H new ATOM 0 HB3 ASN A 35 -5.790 35.625 17.164 1.00 4.21 H new ATOM 0 HD21 ASN A 35 -8.834 38.128 17.102 1.00 64.24 H new ATOM 0 HD22 ASN A 35 -7.563 37.988 18.321 1.00 64.24 H new ATOM 555 N LEU A 36 -5.310 32.579 18.612 1.00 14.33 N ATOM 556 CA LEU A 36 -4.272 31.618 18.258 1.00 30.44 C ATOM 557 C LEU A 36 -4.793 30.600 17.249 1.00 75.10 C ATOM 558 O LEU A 36 -4.104 30.251 16.292 1.00 23.21 O ATOM 559 CB LEU A 36 -3.767 30.898 19.511 1.00 53.44 C ATOM 560 CG LEU A 36 -2.803 29.736 19.274 1.00 62.30 C ATOM 561 CD1 LEU A 36 -1.759 29.675 20.378 1.00 44.31 C ATOM 562 CD2 LEU A 36 -3.564 28.421 19.185 1.00 41.12 C ATOM 0 H LEU A 36 -5.458 32.690 19.615 1.00 14.33 H new ATOM 0 HA LEU A 36 -3.446 32.164 17.802 1.00 30.44 H new ATOM 0 HB2 LEU A 36 -3.273 31.629 20.151 1.00 53.44 H new ATOM 0 HB3 LEU A 36 -4.629 30.522 20.062 1.00 53.44 H new ATOM 0 HG LEU A 36 -2.291 29.902 18.326 1.00 62.30 H new ATOM 0 HD11 LEU A 36 -1.081 28.842 20.192 1.00 44.31 H new ATOM 0 HD12 LEU A 36 -1.193 30.606 20.395 1.00 44.31 H new ATOM 0 HD13 LEU A 36 -2.254 29.533 21.339 1.00 44.31 H new ATOM 0 HD21 LEU A 36 -2.862 27.605 19.016 1.00 41.12 H new ATOM 0 HD22 LEU A 36 -4.103 28.249 20.117 1.00 41.12 H new ATOM 0 HD23 LEU A 36 -4.273 28.466 18.358 1.00 41.12 H new ATOM 574 N ASN A 37 -6.017 30.129 17.469 1.00 41.41 N ATOM 575 CA ASN A 37 -6.632 29.153 16.577 1.00 21.22 C ATOM 576 C ASN A 37 -6.696 29.685 15.149 1.00 55.21 C ATOM 577 O ASN A 37 -6.316 28.997 14.201 1.00 12.34 O ATOM 578 CB ASN A 37 -8.038 28.800 17.066 1.00 71.31 C ATOM 579 CG ASN A 37 -8.098 27.431 17.716 1.00 64.22 C ATOM 580 OD1 ASN A 37 -8.238 27.315 18.933 1.00 32.03 O ATOM 581 ND2 ASN A 37 -7.990 26.385 16.904 1.00 52.52 N ATOM 0 H ASN A 37 -6.602 30.408 18.257 1.00 41.41 H new ATOM 0 HA ASN A 37 -6.016 28.254 16.583 1.00 21.22 H new ATOM 0 HB2 ASN A 37 -8.371 29.553 17.780 1.00 71.31 H new ATOM 0 HB3 ASN A 37 -8.730 28.830 16.225 1.00 71.31 H new ATOM 0 HD21 ASN A 37 -8.022 25.439 17.284 1.00 52.52 H new ATOM 0 HD22 ASN A 37 -7.875 26.528 15.901 1.00 52.52 H new ATOM 588 N ASP A 38 -7.180 30.914 15.003 1.00 63.01 N ATOM 589 CA ASP A 38 -7.293 31.540 13.691 1.00 43.13 C ATOM 590 C ASP A 38 -5.935 31.601 12.999 1.00 65.12 C ATOM 591 O ASP A 38 -5.791 31.181 11.850 1.00 50.42 O ATOM 592 CB ASP A 38 -7.875 32.948 13.822 1.00 14.13 C ATOM 593 CG ASP A 38 -9.369 32.935 14.080 1.00 74.33 C ATOM 594 OD1 ASP A 38 -9.798 32.285 15.056 1.00 23.35 O ATOM 595 OD2 ASP A 38 -10.110 33.575 13.305 1.00 72.01 O ATOM 0 H ASP A 38 -7.500 31.496 15.777 1.00 63.01 H new ATOM 0 HA ASP A 38 -7.964 30.933 13.083 1.00 43.13 H new ATOM 0 HB2 ASP A 38 -7.373 33.471 14.636 1.00 14.13 H new ATOM 0 HB3 ASP A 38 -7.672 33.508 12.910 1.00 14.13 H new ATOM 600 N THR A 39 -4.939 32.127 13.705 1.00 1.24 N ATOM 601 CA THR A 39 -3.593 32.245 13.159 1.00 0.31 C ATOM 602 C THR A 39 -3.058 30.888 12.717 1.00 1.11 C ATOM 603 O THR A 39 -2.620 30.723 11.578 1.00 0.13 O ATOM 604 CB THR A 39 -2.622 32.858 14.186 1.00 63.32 C ATOM 605 OG1 THR A 39 -3.310 33.126 15.412 1.00 32.54 O ATOM 606 CG2 THR A 39 -2.009 34.143 13.651 1.00 0.42 C ATOM 0 H THR A 39 -5.040 32.478 14.657 1.00 1.24 H new ATOM 0 HA THR A 39 -3.659 32.905 12.294 1.00 0.31 H new ATOM 0 HB THR A 39 -1.822 32.141 14.369 1.00 63.32 H new ATOM 0 HG1 THR A 39 -2.685 33.514 16.060 1.00 32.54 H new ATOM 0 HG21 THR A 39 -1.327 34.557 14.393 1.00 0.42 H new ATOM 0 HG22 THR A 39 -1.461 33.930 12.733 1.00 0.42 H new ATOM 0 HG23 THR A 39 -2.800 34.864 13.442 1.00 0.42 H new ATOM 614 N PHE A 40 -3.097 29.918 13.624 1.00 23.05 N ATOM 615 CA PHE A 40 -2.615 28.574 13.328 1.00 71.13 C ATOM 616 C PHE A 40 -3.383 27.967 12.157 1.00 43.33 C ATOM 617 O PHE A 40 -2.798 27.327 11.282 1.00 13.33 O ATOM 618 CB PHE A 40 -2.750 27.677 14.560 1.00 12.11 C ATOM 619 CG PHE A 40 -2.106 26.330 14.395 1.00 51.31 C ATOM 620 CD1 PHE A 40 -0.868 26.210 13.784 1.00 34.20 C ATOM 621 CD2 PHE A 40 -2.739 25.185 14.850 1.00 23.32 C ATOM 622 CE1 PHE A 40 -0.273 24.972 13.631 1.00 43.02 C ATOM 623 CE2 PHE A 40 -2.148 23.944 14.700 1.00 2.41 C ATOM 624 CZ PHE A 40 -0.914 23.838 14.089 1.00 61.34 C ATOM 0 H PHE A 40 -3.458 30.038 14.571 1.00 23.05 H new ATOM 0 HA PHE A 40 -1.563 28.645 13.053 1.00 71.13 H new ATOM 0 HB2 PHE A 40 -2.304 28.181 15.417 1.00 12.11 H new ATOM 0 HB3 PHE A 40 -3.808 27.540 14.786 1.00 12.11 H new ATOM 0 HD1 PHE A 40 -0.363 27.094 13.423 1.00 34.20 H new ATOM 0 HD2 PHE A 40 -3.705 25.262 15.327 1.00 23.32 H new ATOM 0 HE1 PHE A 40 0.692 24.892 13.154 1.00 43.02 H new ATOM 0 HE2 PHE A 40 -2.651 23.059 15.060 1.00 2.41 H new ATOM 0 HZ PHE A 40 -0.451 22.870 13.970 1.00 61.34 H new ATOM 634 N ASP A 41 -4.695 28.173 12.148 1.00 71.13 N ATOM 635 CA ASP A 41 -5.544 27.647 11.085 1.00 50.43 C ATOM 636 C ASP A 41 -5.087 28.158 9.722 1.00 60.12 C ATOM 637 O ASP A 41 -4.689 27.378 8.856 1.00 45.23 O ATOM 638 CB ASP A 41 -7.002 28.039 11.327 1.00 15.01 C ATOM 639 CG ASP A 41 -7.815 26.906 11.924 1.00 45.50 C ATOM 640 OD1 ASP A 41 -7.396 26.362 12.967 1.00 33.33 O ATOM 641 OD2 ASP A 41 -8.869 26.565 11.348 1.00 2.44 O ATOM 0 H ASP A 41 -5.194 28.700 12.864 1.00 71.13 H new ATOM 0 HA ASP A 41 -5.462 26.560 11.092 1.00 50.43 H new ATOM 0 HB2 ASP A 41 -7.038 28.899 11.995 1.00 15.01 H new ATOM 0 HB3 ASP A 41 -7.453 28.349 10.384 1.00 15.01 H new ATOM 646 N THR A 42 -5.148 29.473 9.537 1.00 12.10 N ATOM 647 CA THR A 42 -4.743 30.088 8.279 1.00 31.13 C ATOM 648 C THR A 42 -3.325 29.678 7.899 1.00 50.33 C ATOM 649 O THR A 42 -2.970 29.655 6.720 1.00 40.10 O ATOM 650 CB THR A 42 -4.819 31.625 8.355 1.00 24.51 C ATOM 651 OG1 THR A 42 -5.225 32.158 7.090 1.00 14.11 O ATOM 652 CG2 THR A 42 -3.473 32.214 8.751 1.00 61.54 C ATOM 0 H THR A 42 -5.474 30.133 10.243 1.00 12.10 H new ATOM 0 HA THR A 42 -5.437 29.735 7.516 1.00 31.13 H new ATOM 0 HB THR A 42 -5.553 31.894 9.115 1.00 24.51 H new ATOM 0 HG1 THR A 42 -5.272 33.135 7.147 1.00 14.11 H new ATOM 0 HG21 THR A 42 -3.551 33.300 8.798 1.00 61.54 H new ATOM 0 HG22 THR A 42 -3.180 31.828 9.728 1.00 61.54 H new ATOM 0 HG23 THR A 42 -2.722 31.936 8.011 1.00 61.54 H new ATOM 660 N PHE A 43 -2.518 29.355 8.903 1.00 23.15 N ATOM 661 CA PHE A 43 -1.137 28.946 8.674 1.00 61.04 C ATOM 662 C PHE A 43 -1.077 27.537 8.092 1.00 62.35 C ATOM 663 O PHE A 43 -0.569 27.330 6.990 1.00 74.13 O ATOM 664 CB PHE A 43 -0.341 29.005 9.979 1.00 11.10 C ATOM 665 CG PHE A 43 1.132 28.781 9.793 1.00 5.25 C ATOM 666 CD1 PHE A 43 1.858 28.050 10.720 1.00 13.13 C ATOM 667 CD2 PHE A 43 1.792 29.302 8.692 1.00 5.43 C ATOM 668 CE1 PHE A 43 3.214 27.842 10.552 1.00 32.24 C ATOM 669 CE2 PHE A 43 3.148 29.097 8.519 1.00 42.12 C ATOM 670 CZ PHE A 43 3.860 28.367 9.451 1.00 50.14 C ATOM 0 H PHE A 43 -2.796 29.368 9.884 1.00 23.15 H new ATOM 0 HA PHE A 43 -0.695 29.637 7.956 1.00 61.04 H new ATOM 0 HB2 PHE A 43 -0.496 29.977 10.446 1.00 11.10 H new ATOM 0 HB3 PHE A 43 -0.730 28.255 10.667 1.00 11.10 H new ATOM 0 HD1 PHE A 43 1.358 27.638 11.584 1.00 13.13 H new ATOM 0 HD2 PHE A 43 1.241 29.875 7.961 1.00 5.43 H new ATOM 0 HE1 PHE A 43 3.768 27.269 11.281 1.00 32.24 H new ATOM 0 HE2 PHE A 43 3.651 29.507 7.656 1.00 42.12 H new ATOM 0 HZ PHE A 43 4.920 28.207 9.318 1.00 50.14 H new ATOM 680 N ALA A 44 -1.598 26.571 8.841 1.00 72.22 N ATOM 681 CA ALA A 44 -1.606 25.182 8.400 1.00 64.42 C ATOM 682 C ALA A 44 -2.306 25.037 7.053 1.00 61.11 C ATOM 683 O ALA A 44 -1.799 24.375 6.146 1.00 51.31 O ATOM 684 CB ALA A 44 -2.276 24.300 9.443 1.00 53.20 C ATOM 0 H ALA A 44 -2.020 26.725 9.757 1.00 72.22 H new ATOM 0 HA ALA A 44 -0.572 24.860 8.279 1.00 64.42 H new ATOM 0 HB1 ALA A 44 -2.275 23.265 9.100 1.00 53.20 H new ATOM 0 HB2 ALA A 44 -1.731 24.371 10.384 1.00 53.20 H new ATOM 0 HB3 ALA A 44 -3.304 24.631 9.593 1.00 53.20 H new ATOM 690 N LEU A 45 -3.473 25.659 6.929 1.00 73.52 N ATOM 691 CA LEU A 45 -4.244 25.598 5.692 1.00 54.52 C ATOM 692 C LEU A 45 -3.350 25.839 4.480 1.00 4.12 C ATOM 693 O LEU A 45 -3.217 24.975 3.613 1.00 43.51 O ATOM 694 CB LEU A 45 -5.372 26.631 5.720 1.00 14.32 C ATOM 695 CG LEU A 45 -6.629 26.274 4.926 1.00 53.41 C ATOM 696 CD1 LEU A 45 -6.262 25.814 3.524 1.00 41.23 C ATOM 697 CD2 LEU A 45 -7.430 25.201 5.649 1.00 52.23 C ATOM 0 H LEU A 45 -3.906 26.211 7.669 1.00 73.52 H new ATOM 0 HA LEU A 45 -4.674 24.600 5.610 1.00 54.52 H new ATOM 0 HB2 LEU A 45 -5.658 26.799 6.758 1.00 14.32 H new ATOM 0 HB3 LEU A 45 -4.982 27.575 5.340 1.00 14.32 H new ATOM 0 HG LEU A 45 -7.248 27.167 4.843 1.00 53.41 H new ATOM 0 HD11 LEU A 45 -7.169 25.564 2.974 1.00 41.23 H new ATOM 0 HD12 LEU A 45 -5.732 26.613 3.006 1.00 41.23 H new ATOM 0 HD13 LEU A 45 -5.621 24.934 3.586 1.00 41.23 H new ATOM 0 HD21 LEU A 45 -8.321 24.960 5.069 1.00 52.23 H new ATOM 0 HD22 LEU A 45 -6.818 24.306 5.764 1.00 52.23 H new ATOM 0 HD23 LEU A 45 -7.725 25.568 6.632 1.00 52.23 H new ATOM 709 N ASP A 46 -2.737 27.017 4.428 1.00 23.55 N ATOM 710 CA ASP A 46 -1.851 27.370 3.325 1.00 73.21 C ATOM 711 C ASP A 46 -0.869 26.240 3.033 1.00 21.22 C ATOM 712 O ASP A 46 -0.666 25.862 1.879 1.00 31.11 O ATOM 713 CB ASP A 46 -1.088 28.656 3.647 1.00 60.51 C ATOM 714 CG ASP A 46 -1.069 29.625 2.482 1.00 53.14 C ATOM 715 OD1 ASP A 46 -1.731 30.680 2.576 1.00 35.12 O ATOM 716 OD2 ASP A 46 -0.392 29.329 1.475 1.00 1.52 O ATOM 0 H ASP A 46 -2.838 27.743 5.137 1.00 23.55 H new ATOM 0 HA ASP A 46 -2.463 27.533 2.438 1.00 73.21 H new ATOM 0 HB2 ASP A 46 -1.545 29.139 4.510 1.00 60.51 H new ATOM 0 HB3 ASP A 46 -0.064 28.407 3.926 1.00 60.51 H new ATOM 721 N PHE A 47 -0.261 25.705 4.087 1.00 64.23 N ATOM 722 CA PHE A 47 0.703 24.619 3.944 1.00 55.34 C ATOM 723 C PHE A 47 0.087 23.442 3.193 1.00 22.33 C ATOM 724 O PHE A 47 0.665 22.934 2.232 1.00 52.20 O ATOM 725 CB PHE A 47 1.195 24.162 5.318 1.00 30.41 C ATOM 726 CG PHE A 47 2.607 24.576 5.618 1.00 41.34 C ATOM 727 CD1 PHE A 47 3.649 24.178 4.796 1.00 23.43 C ATOM 728 CD2 PHE A 47 2.892 25.365 6.721 1.00 64.42 C ATOM 729 CE1 PHE A 47 4.950 24.558 5.069 1.00 70.12 C ATOM 730 CE2 PHE A 47 4.191 25.748 6.998 1.00 11.21 C ATOM 731 CZ PHE A 47 5.221 25.343 6.172 1.00 41.42 C ATOM 0 H PHE A 47 -0.418 26.005 5.049 1.00 64.23 H new ATOM 0 HA PHE A 47 1.551 24.991 3.368 1.00 55.34 H new ATOM 0 HB2 PHE A 47 0.535 24.568 6.085 1.00 30.41 H new ATOM 0 HB3 PHE A 47 1.123 23.076 5.378 1.00 30.41 H new ATOM 0 HD1 PHE A 47 3.443 23.564 3.932 1.00 23.43 H new ATOM 0 HD2 PHE A 47 2.091 25.684 7.371 1.00 64.42 H new ATOM 0 HE1 PHE A 47 5.753 24.241 4.420 1.00 70.12 H new ATOM 0 HE2 PHE A 47 4.400 26.364 7.860 1.00 11.21 H new ATOM 0 HZ PHE A 47 6.237 25.640 6.388 1.00 41.42 H new ATOM 741 N SER A 48 -1.088 23.012 3.640 1.00 34.04 N ATOM 742 CA SER A 48 -1.781 21.891 3.015 1.00 50.50 C ATOM 743 C SER A 48 -1.911 22.105 1.510 1.00 15.20 C ATOM 744 O SER A 48 -1.649 21.200 0.718 1.00 22.33 O ATOM 745 CB SER A 48 -3.167 21.709 3.638 1.00 45.23 C ATOM 746 OG SER A 48 -3.690 20.424 3.349 1.00 11.34 O ATOM 0 H SER A 48 -1.581 23.423 4.433 1.00 34.04 H new ATOM 0 HA SER A 48 -1.193 20.990 3.187 1.00 50.50 H new ATOM 0 HB2 SER A 48 -3.105 21.846 4.718 1.00 45.23 H new ATOM 0 HB3 SER A 48 -3.844 22.475 3.258 1.00 45.23 H new ATOM 0 HG SER A 48 -4.575 20.331 3.759 1.00 11.34 H new ATOM 752 N ARG A 49 -2.319 23.309 1.123 1.00 51.41 N ATOM 753 CA ARG A 49 -2.486 23.643 -0.286 1.00 51.14 C ATOM 754 C ARG A 49 -1.276 23.192 -1.099 1.00 2.10 C ATOM 755 O ARG A 49 -1.419 22.658 -2.198 1.00 60.12 O ATOM 756 CB ARG A 49 -2.694 25.149 -0.455 1.00 13.22 C ATOM 757 CG ARG A 49 -3.711 25.508 -1.526 1.00 61.54 C ATOM 758 CD ARG A 49 -3.115 25.391 -2.921 1.00 32.33 C ATOM 759 NE ARG A 49 -3.602 26.438 -3.814 1.00 15.53 N ATOM 760 CZ ARG A 49 -3.061 26.706 -4.997 1.00 1.53 C ATOM 761 NH1 ARG A 49 -2.020 26.007 -5.427 1.00 20.23 N ATOM 762 NH2 ARG A 49 -3.561 27.676 -5.752 1.00 61.24 N ATOM 0 H ARG A 49 -2.540 24.070 1.766 1.00 51.41 H new ATOM 0 HA ARG A 49 -3.367 23.118 -0.655 1.00 51.14 H new ATOM 0 HB2 ARG A 49 -3.017 25.571 0.497 1.00 13.22 H new ATOM 0 HB3 ARG A 49 -1.739 25.613 -0.702 1.00 13.22 H new ATOM 0 HG2 ARG A 49 -4.577 24.851 -1.442 1.00 61.54 H new ATOM 0 HG3 ARG A 49 -4.067 26.526 -1.365 1.00 61.54 H new ATOM 0 HD2 ARG A 49 -2.028 25.446 -2.857 1.00 32.33 H new ATOM 0 HD3 ARG A 49 -3.360 24.415 -3.339 1.00 32.33 H new ATOM 0 HE ARG A 49 -4.402 26.995 -3.513 1.00 15.53 H new ATOM 0 HH11 ARG A 49 -1.633 25.261 -4.849 1.00 20.23 H new ATOM 0 HH12 ARG A 49 -1.606 26.215 -6.336 1.00 20.23 H new ATOM 0 HH21 ARG A 49 -4.361 28.216 -5.424 1.00 61.24 H new ATOM 0 HH22 ARG A 49 -3.145 27.881 -6.660 1.00 61.24 H new ATOM 776 N GLU A 50 -0.085 23.412 -0.550 1.00 14.03 N ATOM 777 CA GLU A 50 1.149 23.029 -1.225 1.00 1.32 C ATOM 778 C GLU A 50 1.420 21.537 -1.058 1.00 23.11 C ATOM 779 O GLU A 50 2.023 20.903 -1.924 1.00 70.32 O ATOM 780 CB GLU A 50 2.328 23.837 -0.677 1.00 54.34 C ATOM 781 CG GLU A 50 3.376 24.170 -1.725 1.00 65.12 C ATOM 782 CD GLU A 50 3.906 25.585 -1.592 1.00 73.33 C ATOM 783 OE1 GLU A 50 4.872 25.786 -0.828 1.00 4.42 O ATOM 784 OE2 GLU A 50 3.354 26.490 -2.252 1.00 75.30 O ATOM 0 H GLU A 50 0.051 23.853 0.360 1.00 14.03 H new ATOM 0 HA GLU A 50 1.033 23.243 -2.288 1.00 1.32 H new ATOM 0 HB2 GLU A 50 1.952 24.764 -0.244 1.00 54.34 H new ATOM 0 HB3 GLU A 50 2.799 23.276 0.130 1.00 54.34 H new ATOM 0 HG2 GLU A 50 4.204 23.467 -1.641 1.00 65.12 H new ATOM 0 HG3 GLU A 50 2.946 24.039 -2.718 1.00 65.12 H new ATOM 791 N LYS A 51 0.971 20.982 0.063 1.00 64.23 N ATOM 792 CA LYS A 51 1.164 19.564 0.345 1.00 13.34 C ATOM 793 C LYS A 51 0.494 18.701 -0.719 1.00 53.51 C ATOM 794 O LYS A 51 0.935 17.586 -0.997 1.00 52.24 O ATOM 795 CB LYS A 51 0.602 19.218 1.726 1.00 31.31 C ATOM 796 CG LYS A 51 -0.812 18.664 1.686 1.00 63.52 C ATOM 797 CD LYS A 51 -0.814 17.148 1.572 1.00 4.33 C ATOM 798 CE LYS A 51 -2.152 16.629 1.071 1.00 35.44 C ATOM 799 NZ LYS A 51 -2.211 15.141 1.087 1.00 63.41 N ATOM 0 H LYS A 51 0.471 21.492 0.791 1.00 64.23 H new ATOM 0 HA LYS A 51 2.234 19.359 0.332 1.00 13.34 H new ATOM 0 HB2 LYS A 51 1.256 18.488 2.203 1.00 31.31 H new ATOM 0 HB3 LYS A 51 0.615 20.112 2.349 1.00 31.31 H new ATOM 0 HG2 LYS A 51 -1.346 18.963 2.588 1.00 63.52 H new ATOM 0 HG3 LYS A 51 -1.349 19.094 0.840 1.00 63.52 H new ATOM 0 HD2 LYS A 51 -0.022 16.832 0.892 1.00 4.33 H new ATOM 0 HD3 LYS A 51 -0.593 16.709 2.545 1.00 4.33 H new ATOM 0 HE2 LYS A 51 -2.953 17.031 1.692 1.00 35.44 H new ATOM 0 HE3 LYS A 51 -2.324 16.988 0.056 1.00 35.44 H new ATOM 0 HZ1 LYS A 51 -3.139 14.827 0.738 1.00 63.41 H new ATOM 0 HZ2 LYS A 51 -1.463 14.757 0.475 1.00 63.41 H new ATOM 0 HZ3 LYS A 51 -2.072 14.799 2.059 1.00 63.41 H new ATOM 813 N LYS A 52 -0.574 19.225 -1.313 1.00 24.23 N ATOM 814 CA LYS A 52 -1.304 18.504 -2.349 1.00 44.30 C ATOM 815 C LYS A 52 -0.627 18.670 -3.706 1.00 54.12 C ATOM 816 O LYS A 52 -0.313 17.687 -4.379 1.00 3.33 O ATOM 817 CB LYS A 52 -2.749 19.002 -2.423 1.00 61.22 C ATOM 818 CG LYS A 52 -3.542 18.399 -3.570 1.00 23.20 C ATOM 819 CD LYS A 52 -3.807 16.919 -3.347 1.00 43.34 C ATOM 820 CE LYS A 52 -4.809 16.375 -4.354 1.00 65.11 C ATOM 821 NZ LYS A 52 -5.503 15.160 -3.844 1.00 64.04 N ATOM 0 H LYS A 52 -0.953 20.146 -1.094 1.00 24.23 H new ATOM 0 HA LYS A 52 -1.304 17.445 -2.090 1.00 44.30 H new ATOM 0 HB2 LYS A 52 -3.252 18.772 -1.484 1.00 61.22 H new ATOM 0 HB3 LYS A 52 -2.746 20.087 -2.525 1.00 61.22 H new ATOM 0 HG2 LYS A 52 -4.489 18.927 -3.676 1.00 23.20 H new ATOM 0 HG3 LYS A 52 -2.995 18.535 -4.503 1.00 23.20 H new ATOM 0 HD2 LYS A 52 -2.872 16.365 -3.427 1.00 43.34 H new ATOM 0 HD3 LYS A 52 -4.184 16.764 -2.336 1.00 43.34 H new ATOM 0 HE2 LYS A 52 -5.546 17.144 -4.585 1.00 65.11 H new ATOM 0 HE3 LYS A 52 -4.295 16.136 -5.285 1.00 65.11 H new ATOM 0 HZ1 LYS A 52 -6.177 14.820 -4.559 1.00 64.04 H new ATOM 0 HZ2 LYS A 52 -4.802 14.417 -3.647 1.00 64.04 H new ATOM 0 HZ3 LYS A 52 -6.014 15.394 -2.969 1.00 64.04 H new ATOM 835 N LEU A 53 -0.405 19.918 -4.103 1.00 14.43 N ATOM 836 CA LEU A 53 0.236 20.213 -5.380 1.00 35.03 C ATOM 837 C LEU A 53 1.547 19.447 -5.520 1.00 71.23 C ATOM 838 O LEU A 53 1.982 19.138 -6.630 1.00 72.55 O ATOM 839 CB LEU A 53 0.493 21.715 -5.509 1.00 0.31 C ATOM 840 CG LEU A 53 0.112 22.349 -6.848 1.00 25.34 C ATOM 841 CD1 LEU A 53 -1.241 23.035 -6.748 1.00 31.21 C ATOM 842 CD2 LEU A 53 1.181 23.336 -7.293 1.00 63.14 C ATOM 0 H LEU A 53 -0.659 20.742 -3.559 1.00 14.43 H new ATOM 0 HA LEU A 53 -0.436 19.896 -6.178 1.00 35.03 H new ATOM 0 HB2 LEU A 53 -0.056 22.226 -4.718 1.00 0.31 H new ATOM 0 HB3 LEU A 53 1.553 21.899 -5.331 1.00 0.31 H new ATOM 0 HG LEU A 53 0.041 21.559 -7.596 1.00 25.34 H new ATOM 0 HD11 LEU A 53 -1.495 23.480 -7.710 1.00 31.21 H new ATOM 0 HD12 LEU A 53 -2.001 22.303 -6.475 1.00 31.21 H new ATOM 0 HD13 LEU A 53 -1.198 23.815 -5.987 1.00 31.21 H new ATOM 0 HD21 LEU A 53 0.894 23.778 -8.247 1.00 63.14 H new ATOM 0 HD22 LEU A 53 1.284 24.123 -6.545 1.00 63.14 H new ATOM 0 HD23 LEU A 53 2.132 22.816 -7.406 1.00 63.14 H new ATOM 854 N LEU A 54 2.172 19.141 -4.389 1.00 11.45 N ATOM 855 CA LEU A 54 3.433 18.409 -4.385 1.00 23.43 C ATOM 856 C LEU A 54 3.207 16.933 -4.698 1.00 13.02 C ATOM 857 O LEU A 54 3.755 16.403 -5.663 1.00 65.30 O ATOM 858 CB LEU A 54 4.126 18.553 -3.029 1.00 11.55 C ATOM 859 CG LEU A 54 5.448 17.803 -2.867 1.00 21.24 C ATOM 860 CD1 LEU A 54 5.196 16.357 -2.468 1.00 72.02 C ATOM 861 CD2 LEU A 54 6.260 17.870 -4.152 1.00 24.14 C ATOM 0 H LEU A 54 1.826 19.389 -3.462 1.00 11.45 H new ATOM 0 HA LEU A 54 4.072 18.833 -5.160 1.00 23.43 H new ATOM 0 HB2 LEU A 54 4.308 19.612 -2.847 1.00 11.55 H new ATOM 0 HB3 LEU A 54 3.440 18.210 -2.255 1.00 11.55 H new ATOM 0 HG LEU A 54 6.021 18.283 -2.073 1.00 21.24 H new ATOM 0 HD11 LEU A 54 6.149 15.839 -2.357 1.00 72.02 H new ATOM 0 HD12 LEU A 54 4.656 16.330 -1.522 1.00 72.02 H new ATOM 0 HD13 LEU A 54 4.603 15.865 -3.239 1.00 72.02 H new ATOM 0 HD21 LEU A 54 7.198 17.331 -4.018 1.00 24.14 H new ATOM 0 HD22 LEU A 54 5.693 17.416 -4.965 1.00 24.14 H new ATOM 0 HD23 LEU A 54 6.472 18.911 -4.395 1.00 24.14 H new ATOM 873 N GLU A 55 2.393 16.277 -3.876 1.00 42.01 N ATOM 874 CA GLU A 55 2.093 14.863 -4.067 1.00 65.21 C ATOM 875 C GLU A 55 1.521 14.611 -5.459 1.00 41.22 C ATOM 876 O GLU A 55 2.076 13.836 -6.239 1.00 33.30 O ATOM 877 CB GLU A 55 1.106 14.380 -3.003 1.00 20.32 C ATOM 878 CG GLU A 55 1.026 12.867 -2.889 1.00 74.32 C ATOM 879 CD GLU A 55 -0.371 12.380 -2.555 1.00 52.11 C ATOM 880 OE1 GLU A 55 -0.552 11.804 -1.462 1.00 14.33 O ATOM 881 OE2 GLU A 55 -1.282 12.575 -3.386 1.00 74.43 O ATOM 0 H GLU A 55 1.930 16.702 -3.072 1.00 42.01 H new ATOM 0 HA GLU A 55 3.024 14.304 -3.969 1.00 65.21 H new ATOM 0 HB2 GLU A 55 1.395 14.794 -2.037 1.00 20.32 H new ATOM 0 HB3 GLU A 55 0.115 14.771 -3.234 1.00 20.32 H new ATOM 0 HG2 GLU A 55 1.348 12.418 -3.829 1.00 74.32 H new ATOM 0 HG3 GLU A 55 1.719 12.527 -2.119 1.00 74.32 H new