USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 460 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 7 LYS NZ :NH3+ 180:sc= 0.00348 (180deg=0.00348) USER MOD Single : A 12 ASN : amide:sc= -2.24 K(o=-2.2,f=-7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.12 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -140:sc= -0.18 (180deg=-1.74!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.1 X(o=-2.1,f=-2.1) USER MOD Single : A 36 GLN : amide:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 87:sc=0.000941 USER MOD Single : A 50 ASN : amide:sc= -3.58 K(o=-3.6,f=-11!) USER MOD Single : A 55 GLN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.338 X(o=-0.34,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -158:sc= -0.148 (180deg=-0.671) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 2.564 6.844 0.127 1.00 72.14 N ATOM 29 CA GLU A 3 2.548 7.716 1.296 1.00 0.21 C ATOM 30 C GLU A 3 1.117 8.040 1.714 1.00 23.42 C ATOM 31 O GLU A 3 0.863 8.407 2.861 1.00 10.11 O ATOM 32 CB GLU A 3 3.311 9.010 1.004 1.00 40.13 C ATOM 33 CG GLU A 3 2.718 9.822 -0.135 1.00 10.14 C ATOM 34 CD GLU A 3 2.656 11.305 0.176 1.00 1.12 C ATOM 35 OE1 GLU A 3 1.839 11.699 1.035 1.00 1.24 O ATOM 36 OE2 GLU A 3 3.426 12.073 -0.440 1.00 23.41 O ATOM 0 HA GLU A 3 3.037 7.191 2.116 1.00 0.21 H new ATOM 0 HB2 GLU A 3 3.329 9.623 1.905 1.00 40.13 H new ATOM 0 HB3 GLU A 3 4.346 8.766 0.764 1.00 40.13 H new ATOM 0 HG2 GLU A 3 3.314 9.668 -1.035 1.00 10.14 H new ATOM 0 HG3 GLU A 3 1.714 9.458 -0.351 1.00 10.14 H new ATOM 43 N ALA A 4 0.186 7.900 0.776 1.00 40.32 N ATOM 44 CA ALA A 4 -1.219 8.176 1.047 1.00 12.33 C ATOM 45 C ALA A 4 -1.698 7.423 2.284 1.00 3.13 C ATOM 46 O ALA A 4 -2.626 7.858 2.967 1.00 24.44 O ATOM 47 CB ALA A 4 -2.071 7.809 -0.160 1.00 72.40 C ATOM 0 H ALA A 4 0.380 7.597 -0.178 1.00 40.32 H new ATOM 0 HA ALA A 4 -1.323 9.244 1.241 1.00 12.33 H new ATOM 0 HB1 ALA A 4 -3.118 8.020 0.056 1.00 72.40 H new ATOM 0 HB2 ALA A 4 -1.753 8.396 -1.022 1.00 72.40 H new ATOM 0 HB3 ALA A 4 -1.953 6.748 -0.380 1.00 72.40 H new ATOM 53 N LEU A 5 -1.060 6.292 2.566 1.00 54.50 N ATOM 54 CA LEU A 5 -1.421 5.478 3.721 1.00 22.31 C ATOM 55 C LEU A 5 -1.246 6.263 5.017 1.00 31.11 C ATOM 56 O LEU A 5 -2.064 6.162 5.931 1.00 73.34 O ATOM 57 CB LEU A 5 -0.568 4.209 3.762 1.00 4.32 C ATOM 58 CG LEU A 5 -0.262 3.563 2.409 1.00 15.34 C ATOM 59 CD1 LEU A 5 0.442 2.228 2.603 1.00 3.10 C ATOM 60 CD2 LEU A 5 -1.538 3.384 1.602 1.00 3.14 C ATOM 0 H LEU A 5 -0.290 5.918 2.011 1.00 54.50 H new ATOM 0 HA LEU A 5 -2.471 5.201 3.625 1.00 22.31 H new ATOM 0 HB2 LEU A 5 0.377 4.446 4.251 1.00 4.32 H new ATOM 0 HB3 LEU A 5 -1.075 3.474 4.387 1.00 4.32 H new ATOM 0 HG LEU A 5 0.403 4.224 1.854 1.00 15.34 H new ATOM 0 HD11 LEU A 5 0.652 1.783 1.631 1.00 3.10 H new ATOM 0 HD12 LEU A 5 1.378 2.385 3.140 1.00 3.10 H new ATOM 0 HD13 LEU A 5 -0.199 1.559 3.178 1.00 3.10 H new ATOM 0 HD21 LEU A 5 -1.300 2.923 0.643 1.00 3.14 H new ATOM 0 HD22 LEU A 5 -2.229 2.744 2.151 1.00 3.14 H new ATOM 0 HD23 LEU A 5 -2.001 4.356 1.433 1.00 3.14 H new ATOM 72 N PHE A 6 -0.175 7.047 5.088 1.00 32.44 N ATOM 73 CA PHE A 6 0.106 7.851 6.272 1.00 21.05 C ATOM 74 C PHE A 6 -1.002 8.872 6.512 1.00 2.24 C ATOM 75 O PHE A 6 -1.502 9.011 7.627 1.00 71.24 O ATOM 76 CB PHE A 6 1.451 8.565 6.121 1.00 14.10 C ATOM 77 CG PHE A 6 1.617 9.732 7.052 1.00 52.33 C ATOM 78 CD1 PHE A 6 1.057 10.963 6.749 1.00 24.33 C ATOM 79 CD2 PHE A 6 2.334 9.598 8.230 1.00 54.23 C ATOM 80 CE1 PHE A 6 1.208 12.038 7.603 1.00 53.25 C ATOM 81 CE2 PHE A 6 2.489 10.671 9.089 1.00 42.15 C ATOM 82 CZ PHE A 6 1.925 11.892 8.775 1.00 1.31 C ATOM 0 H PHE A 6 0.512 7.143 4.340 1.00 32.44 H new ATOM 0 HA PHE A 6 0.152 7.183 7.132 1.00 21.05 H new ATOM 0 HB2 PHE A 6 2.255 7.851 6.299 1.00 14.10 H new ATOM 0 HB3 PHE A 6 1.556 8.912 5.093 1.00 14.10 H new ATOM 0 HD1 PHE A 6 0.496 11.083 5.834 1.00 24.33 H new ATOM 0 HD2 PHE A 6 2.777 8.645 8.480 1.00 54.23 H new ATOM 0 HE1 PHE A 6 0.766 12.992 7.355 1.00 53.25 H new ATOM 0 HE2 PHE A 6 3.050 10.554 10.004 1.00 42.15 H new ATOM 0 HZ PHE A 6 2.044 12.731 9.444 1.00 1.31 H new ATOM 92 N LYS A 7 -1.379 9.585 5.456 1.00 51.52 N ATOM 93 CA LYS A 7 -2.428 10.594 5.549 1.00 4.44 C ATOM 94 C LYS A 7 -3.797 9.942 5.705 1.00 60.54 C ATOM 95 O LYS A 7 -4.715 10.534 6.274 1.00 1.40 O ATOM 96 CB LYS A 7 -2.415 11.489 4.307 1.00 25.04 C ATOM 97 CG LYS A 7 -1.519 12.708 4.444 1.00 62.41 C ATOM 98 CD LYS A 7 -2.066 13.688 5.468 1.00 1.42 C ATOM 99 CE LYS A 7 -3.415 14.246 5.042 1.00 0.42 C ATOM 100 NZ LYS A 7 -4.485 13.924 6.026 1.00 61.01 N ATOM 0 H LYS A 7 -0.974 9.483 4.526 1.00 51.52 H new ATOM 0 HA LYS A 7 -2.234 11.204 6.431 1.00 4.44 H new ATOM 0 HB2 LYS A 7 -2.086 10.902 3.450 1.00 25.04 H new ATOM 0 HB3 LYS A 7 -3.432 11.818 4.096 1.00 25.04 H new ATOM 0 HG2 LYS A 7 -0.518 12.394 4.738 1.00 62.41 H new ATOM 0 HG3 LYS A 7 -1.427 13.204 3.478 1.00 62.41 H new ATOM 0 HD2 LYS A 7 -2.165 13.190 6.432 1.00 1.42 H new ATOM 0 HD3 LYS A 7 -1.359 14.507 5.603 1.00 1.42 H new ATOM 0 HE2 LYS A 7 -3.341 15.327 4.927 1.00 0.42 H new ATOM 0 HE3 LYS A 7 -3.684 13.840 4.067 1.00 0.42 H new ATOM 0 HZ1 LYS A 7 -5.389 14.322 5.699 1.00 61.01 H new ATOM 0 HZ2 LYS A 7 -4.574 12.892 6.117 1.00 61.01 H new ATOM 0 HZ3 LYS A 7 -4.241 14.333 6.950 1.00 61.01 H new ATOM 114 N GLU A 8 -3.928 8.720 5.199 1.00 51.41 N ATOM 115 CA GLU A 8 -5.187 7.989 5.283 1.00 34.01 C ATOM 116 C GLU A 8 -5.496 7.604 6.728 1.00 13.43 C ATOM 117 O GLU A 8 -6.637 7.711 7.179 1.00 42.11 O ATOM 118 CB GLU A 8 -5.133 6.734 4.411 1.00 5.22 C ATOM 119 CG GLU A 8 -6.475 6.038 4.261 1.00 33.04 C ATOM 120 CD GLU A 8 -6.356 4.674 3.610 1.00 62.14 C ATOM 121 OE1 GLU A 8 -5.740 4.586 2.527 1.00 21.15 O ATOM 122 OE2 GLU A 8 -6.879 3.695 4.183 1.00 43.45 O ATOM 0 H GLU A 8 -3.178 8.215 4.727 1.00 51.41 H new ATOM 0 HA GLU A 8 -5.981 8.641 4.920 1.00 34.01 H new ATOM 0 HB2 GLU A 8 -4.761 7.004 3.423 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -4.416 6.034 4.841 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -6.935 5.929 5.243 1.00 33.04 H new ATOM 0 HG3 GLU A 8 -7.140 6.664 3.666 1.00 33.04 H new ATOM 129 N ILE A 9 -4.473 7.157 7.447 1.00 50.51 N ATOM 130 CA ILE A 9 -4.634 6.758 8.840 1.00 64.23 C ATOM 131 C ILE A 9 -4.935 7.962 9.726 1.00 3.33 C ATOM 132 O ILE A 9 -5.524 7.825 10.797 1.00 34.14 O ATOM 133 CB ILE A 9 -3.377 6.044 9.370 1.00 34.52 C ATOM 134 CG1 ILE A 9 -3.146 4.736 8.610 1.00 73.34 C ATOM 135 CG2 ILE A 9 -3.509 5.779 10.862 1.00 32.41 C ATOM 136 CD1 ILE A 9 -4.227 3.704 8.842 1.00 43.22 C ATOM 0 H ILE A 9 -3.523 7.062 7.088 1.00 50.51 H new ATOM 0 HA ILE A 9 -5.476 6.066 8.875 1.00 64.23 H new ATOM 0 HB ILE A 9 -2.515 6.692 9.210 1.00 34.52 H new ATOM 0 HG12 ILE A 9 -3.083 4.951 7.543 1.00 73.34 H new ATOM 0 HG13 ILE A 9 -2.185 4.317 8.908 1.00 73.34 H new ATOM 0 HG21 ILE A 9 -2.613 5.274 11.222 1.00 32.41 H new ATOM 0 HG22 ILE A 9 -3.630 6.725 11.390 1.00 32.41 H new ATOM 0 HG23 ILE A 9 -4.379 5.148 11.044 1.00 32.41 H new ATOM 0 HD11 ILE A 9 -3.998 2.803 8.273 1.00 43.22 H new ATOM 0 HD12 ILE A 9 -4.275 3.460 9.903 1.00 43.22 H new ATOM 0 HD13 ILE A 9 -5.188 4.104 8.518 1.00 43.22 H new ATOM 148 N ASP A 10 -4.528 9.141 9.269 1.00 3.20 N ATOM 149 CA ASP A 10 -4.756 10.370 10.019 1.00 15.10 C ATOM 150 C ASP A 10 -6.210 10.817 9.902 1.00 23.44 C ATOM 151 O ASP A 10 -6.524 11.763 9.180 1.00 22.22 O ATOM 152 CB ASP A 10 -3.828 11.478 9.517 1.00 71.21 C ATOM 153 CG ASP A 10 -2.448 11.406 10.142 1.00 63.02 C ATOM 154 OD1 ASP A 10 -2.204 10.471 10.933 1.00 75.32 O ATOM 155 OD2 ASP A 10 -1.613 12.284 9.841 1.00 53.34 O ATOM 0 H ASP A 10 -4.039 9.271 8.383 1.00 3.20 H new ATOM 0 HA ASP A 10 -4.539 10.171 11.069 1.00 15.10 H new ATOM 0 HB2 ASP A 10 -3.737 11.408 8.433 1.00 71.21 H new ATOM 0 HB3 ASP A 10 -4.273 12.448 9.737 1.00 71.21 H new ATOM 160 N VAL A 11 -7.093 10.129 10.619 1.00 63.12 N ATOM 161 CA VAL A 11 -8.514 10.453 10.596 1.00 43.01 C ATOM 162 C VAL A 11 -8.758 11.886 11.057 1.00 42.13 C ATOM 163 O VAL A 11 -9.788 12.482 10.744 1.00 71.21 O ATOM 164 CB VAL A 11 -9.324 9.494 11.489 1.00 12.21 C ATOM 165 CG1 VAL A 11 -10.816 9.719 11.299 1.00 60.11 C ATOM 166 CG2 VAL A 11 -8.952 8.049 11.191 1.00 73.34 C ATOM 0 H VAL A 11 -6.849 9.344 11.223 1.00 63.12 H new ATOM 0 HA VAL A 11 -8.846 10.344 9.564 1.00 43.01 H new ATOM 0 HB VAL A 11 -9.080 9.701 12.531 1.00 12.21 H new ATOM 0 HG11 VAL A 11 -11.372 9.033 11.938 1.00 60.11 H new ATOM 0 HG12 VAL A 11 -11.066 10.746 11.566 1.00 60.11 H new ATOM 0 HG13 VAL A 11 -11.081 9.540 10.257 1.00 60.11 H new ATOM 0 HG21 VAL A 11 -9.533 7.384 11.830 1.00 73.34 H new ATOM 0 HG22 VAL A 11 -9.166 7.826 10.146 1.00 73.34 H new ATOM 0 HG23 VAL A 11 -7.889 7.900 11.383 1.00 73.34 H new ATOM 176 N ASN A 12 -7.802 12.433 11.801 1.00 64.13 N ATOM 177 CA ASN A 12 -7.913 13.797 12.305 1.00 71.45 C ATOM 178 C ASN A 12 -7.476 14.805 11.247 1.00 0.43 C ATOM 179 O ASN A 12 -7.512 16.014 11.473 1.00 64.22 O ATOM 180 CB ASN A 12 -7.067 13.966 13.568 1.00 11.33 C ATOM 181 CG ASN A 12 -5.699 13.324 13.438 1.00 31.41 C ATOM 182 OD1 ASN A 12 -5.197 13.127 12.331 1.00 33.32 O ATOM 183 ND2 ASN A 12 -5.091 12.994 14.571 1.00 2.14 N ATOM 0 H ASN A 12 -6.942 11.953 12.068 1.00 64.13 H new ATOM 0 HA ASN A 12 -8.959 13.984 12.549 1.00 71.45 H new ATOM 0 HB2 ASN A 12 -6.948 15.028 13.783 1.00 11.33 H new ATOM 0 HB3 ASN A 12 -7.593 13.526 14.416 1.00 11.33 H new ATOM 0 HD21 ASN A 12 -4.169 12.558 14.547 1.00 2.14 H new ATOM 0 HD22 ASN A 12 -5.546 13.176 15.466 1.00 2.14 H new ATOM 190 N GLY A 13 -7.061 14.298 10.089 1.00 13.00 N ATOM 191 CA GLY A 13 -6.622 15.168 9.014 1.00 53.01 C ATOM 192 C GLY A 13 -5.604 16.192 9.474 1.00 12.04 C ATOM 193 O GLY A 13 -5.713 17.375 9.150 1.00 32.30 O ATOM 0 H GLY A 13 -7.021 13.301 9.877 1.00 13.00 H new ATOM 0 HA2 GLY A 13 -6.190 14.564 8.216 1.00 53.01 H new ATOM 0 HA3 GLY A 13 -7.485 15.683 8.592 1.00 53.01 H new ATOM 197 N ASP A 14 -4.612 15.738 10.233 1.00 54.23 N ATOM 198 CA ASP A 14 -3.571 16.624 10.740 1.00 1.12 C ATOM 199 C ASP A 14 -2.270 16.430 9.968 1.00 33.14 C ATOM 200 O ASP A 14 -1.373 17.270 10.022 1.00 1.13 O ATOM 201 CB ASP A 14 -3.337 16.370 12.230 1.00 52.24 C ATOM 202 CG ASP A 14 -3.053 14.913 12.532 1.00 21.22 C ATOM 203 OD1 ASP A 14 -2.888 14.129 11.573 1.00 30.11 O ATOM 204 OD2 ASP A 14 -2.996 14.555 13.727 1.00 4.23 O ATOM 0 H ASP A 14 -4.507 14.762 10.510 1.00 54.23 H new ATOM 0 HA ASP A 14 -3.904 17.653 10.603 1.00 1.12 H new ATOM 0 HB2 ASP A 14 -2.500 16.979 12.572 1.00 52.24 H new ATOM 0 HB3 ASP A 14 -4.214 16.690 12.792 1.00 52.24 H new ATOM 209 N GLY A 15 -2.173 15.314 9.250 1.00 54.14 N ATOM 210 CA GLY A 15 -0.978 15.030 8.479 1.00 64.00 C ATOM 211 C GLY A 15 0.224 14.742 9.356 1.00 25.31 C ATOM 212 O GLY A 15 1.365 14.833 8.906 1.00 0.13 O ATOM 0 H GLY A 15 -2.901 14.602 9.189 1.00 54.14 H new ATOM 0 HA2 GLY A 15 -1.163 14.174 7.830 1.00 64.00 H new ATOM 0 HA3 GLY A 15 -0.757 15.879 7.832 1.00 64.00 H new ATOM 216 N ALA A 16 -0.033 14.396 10.613 1.00 35.54 N ATOM 217 CA ALA A 16 1.037 14.094 11.556 1.00 73.00 C ATOM 218 C ALA A 16 0.737 12.819 12.338 1.00 62.31 C ATOM 219 O ALA A 16 -0.383 12.617 12.808 1.00 23.12 O ATOM 220 CB ALA A 16 1.246 15.262 12.509 1.00 50.01 C ATOM 0 H ALA A 16 -0.973 14.318 11.002 1.00 35.54 H new ATOM 0 HA ALA A 16 1.953 13.934 10.988 1.00 73.00 H new ATOM 0 HB1 ALA A 16 2.048 15.023 13.208 1.00 50.01 H new ATOM 0 HB2 ALA A 16 1.514 16.152 11.940 1.00 50.01 H new ATOM 0 HB3 ALA A 16 0.326 15.449 13.063 1.00 50.01 H new ATOM 226 N VAL A 17 1.743 11.962 12.472 1.00 24.21 N ATOM 227 CA VAL A 17 1.587 10.706 13.197 1.00 15.01 C ATOM 228 C VAL A 17 2.617 10.585 14.315 1.00 62.05 C ATOM 229 O VAL A 17 3.815 10.475 14.059 1.00 32.30 O ATOM 230 CB VAL A 17 1.721 9.494 12.256 1.00 34.23 C ATOM 231 CG1 VAL A 17 1.802 8.204 13.057 1.00 5.34 C ATOM 232 CG2 VAL A 17 0.561 9.451 11.274 1.00 33.42 C ATOM 0 H VAL A 17 2.676 12.114 12.088 1.00 24.21 H new ATOM 0 HA VAL A 17 0.586 10.712 13.629 1.00 15.01 H new ATOM 0 HB VAL A 17 2.644 9.598 11.686 1.00 34.23 H new ATOM 0 HG11 VAL A 17 1.896 7.358 12.376 1.00 5.34 H new ATOM 0 HG12 VAL A 17 2.670 8.238 13.715 1.00 5.34 H new ATOM 0 HG13 VAL A 17 0.898 8.089 13.655 1.00 5.34 H new ATOM 0 HG21 VAL A 17 0.672 8.588 10.617 1.00 33.42 H new ATOM 0 HG22 VAL A 17 -0.377 9.371 11.823 1.00 33.42 H new ATOM 0 HG23 VAL A 17 0.555 10.363 10.677 1.00 33.42 H new ATOM 242 N SER A 18 2.140 10.606 15.556 1.00 43.34 N ATOM 243 CA SER A 18 3.020 10.502 16.713 1.00 32.50 C ATOM 244 C SER A 18 3.325 9.042 17.035 1.00 44.43 C ATOM 245 O SER A 18 2.789 8.132 16.403 1.00 20.35 O ATOM 246 CB SER A 18 2.382 11.181 17.928 1.00 25.12 C ATOM 247 OG SER A 18 1.019 11.486 17.684 1.00 23.04 O ATOM 0 H SER A 18 1.150 10.694 15.785 1.00 43.34 H new ATOM 0 HA SER A 18 3.956 11.006 16.473 1.00 32.50 H new ATOM 0 HB2 SER A 18 2.462 10.528 18.797 1.00 25.12 H new ATOM 0 HB3 SER A 18 2.926 12.095 18.165 1.00 25.12 H new ATOM 0 HG SER A 18 0.634 11.917 18.475 1.00 23.04 H new ATOM 253 N TYR A 19 4.189 8.829 18.020 1.00 23.34 N ATOM 254 CA TYR A 19 4.569 7.480 18.425 1.00 62.04 C ATOM 255 C TYR A 19 3.335 6.608 18.638 1.00 21.30 C ATOM 256 O TYR A 19 3.280 5.468 18.176 1.00 44.54 O ATOM 257 CB TYR A 19 5.404 7.524 19.705 1.00 73.53 C ATOM 258 CG TYR A 19 4.692 8.175 20.869 1.00 75.23 C ATOM 259 CD1 TYR A 19 4.658 9.557 21.005 1.00 40.13 C ATOM 260 CD2 TYR A 19 4.053 7.407 21.836 1.00 20.41 C ATOM 261 CE1 TYR A 19 4.008 10.156 22.067 1.00 3.54 C ATOM 262 CE2 TYR A 19 3.400 7.998 22.901 1.00 21.02 C ATOM 263 CZ TYR A 19 3.381 9.372 23.012 1.00 2.43 C ATOM 264 OH TYR A 19 2.733 9.963 24.072 1.00 52.31 O ATOM 0 H TYR A 19 4.640 9.572 18.553 1.00 23.34 H new ATOM 0 HA TYR A 19 5.167 7.043 17.625 1.00 62.04 H new ATOM 0 HB2 TYR A 19 5.682 6.507 19.983 1.00 73.53 H new ATOM 0 HB3 TYR A 19 6.329 8.065 19.507 1.00 73.53 H new ATOM 0 HD1 TYR A 19 5.149 10.175 20.267 1.00 40.13 H new ATOM 0 HD2 TYR A 19 4.067 6.330 21.753 1.00 20.41 H new ATOM 0 HE1 TYR A 19 3.991 11.232 22.156 1.00 3.54 H new ATOM 0 HE2 TYR A 19 2.907 7.387 23.642 1.00 21.02 H new ATOM 0 HH TYR A 19 2.343 9.270 24.645 1.00 52.31 H new ATOM 274 N GLU A 20 2.347 7.152 19.342 1.00 14.53 N ATOM 275 CA GLU A 20 1.115 6.424 19.617 1.00 72.21 C ATOM 276 C GLU A 20 0.403 6.051 18.321 1.00 62.13 C ATOM 277 O GLU A 20 -0.002 4.904 18.131 1.00 14.40 O ATOM 278 CB GLU A 20 0.187 7.264 20.499 1.00 1.13 C ATOM 279 CG GLU A 20 0.378 7.023 21.987 1.00 4.23 C ATOM 280 CD GLU A 20 -0.794 6.298 22.616 1.00 23.32 C ATOM 281 OE1 GLU A 20 -1.840 6.942 22.840 1.00 0.41 O ATOM 282 OE2 GLU A 20 -0.667 5.085 22.886 1.00 63.32 O ATOM 0 H GLU A 20 2.376 8.094 19.732 1.00 14.53 H new ATOM 0 HA GLU A 20 1.375 5.507 20.145 1.00 72.21 H new ATOM 0 HB2 GLU A 20 0.355 8.320 20.286 1.00 1.13 H new ATOM 0 HB3 GLU A 20 -0.848 7.046 20.234 1.00 1.13 H new ATOM 0 HG2 GLU A 20 1.286 6.441 22.143 1.00 4.23 H new ATOM 0 HG3 GLU A 20 0.521 7.979 22.490 1.00 4.23 H new ATOM 289 N GLU A 21 0.252 7.029 17.432 1.00 24.14 N ATOM 290 CA GLU A 21 -0.413 6.802 16.154 1.00 54.33 C ATOM 291 C GLU A 21 0.280 5.692 15.370 1.00 61.24 C ATOM 292 O GLU A 21 -0.370 4.903 14.683 1.00 62.51 O ATOM 293 CB GLU A 21 -0.432 8.090 15.329 1.00 14.11 C ATOM 294 CG GLU A 21 -1.634 8.976 15.610 1.00 71.02 C ATOM 295 CD GLU A 21 -2.374 9.373 14.347 1.00 64.20 C ATOM 296 OE1 GLU A 21 -1.721 9.487 13.288 1.00 74.14 O ATOM 297 OE2 GLU A 21 -3.605 9.569 14.418 1.00 1.42 O ATOM 0 H GLU A 21 0.581 7.984 17.573 1.00 24.14 H new ATOM 0 HA GLU A 21 -1.439 6.494 16.356 1.00 54.33 H new ATOM 0 HB2 GLU A 21 0.479 8.654 15.530 1.00 14.11 H new ATOM 0 HB3 GLU A 21 -0.420 7.833 14.270 1.00 14.11 H new ATOM 0 HG2 GLU A 21 -2.318 8.453 16.278 1.00 71.02 H new ATOM 0 HG3 GLU A 21 -1.304 9.875 16.131 1.00 71.02 H new ATOM 304 N VAL A 22 1.604 5.638 15.476 1.00 41.23 N ATOM 305 CA VAL A 22 2.385 4.625 14.777 1.00 2.12 C ATOM 306 C VAL A 22 2.070 3.229 15.301 1.00 32.14 C ATOM 307 O VAL A 22 1.705 2.334 14.538 1.00 72.10 O ATOM 308 CB VAL A 22 3.897 4.885 14.919 1.00 41.54 C ATOM 309 CG1 VAL A 22 4.695 3.704 14.392 1.00 24.41 C ATOM 310 CG2 VAL A 22 4.286 6.167 14.197 1.00 33.20 C ATOM 0 H VAL A 22 2.158 6.284 16.039 1.00 41.23 H new ATOM 0 HA VAL A 22 2.110 4.685 13.724 1.00 2.12 H new ATOM 0 HB VAL A 22 4.129 5.005 15.977 1.00 41.54 H new ATOM 0 HG11 VAL A 22 5.760 3.907 14.501 1.00 24.41 H new ATOM 0 HG12 VAL A 22 4.436 2.809 14.958 1.00 24.41 H new ATOM 0 HG13 VAL A 22 4.461 3.548 13.339 1.00 24.41 H new ATOM 0 HG21 VAL A 22 5.357 6.336 14.307 1.00 33.20 H new ATOM 0 HG22 VAL A 22 4.040 6.078 13.139 1.00 33.20 H new ATOM 0 HG23 VAL A 22 3.740 7.007 14.627 1.00 33.20 H new ATOM 320 N LYS A 23 2.213 3.049 16.610 1.00 22.35 N ATOM 321 CA LYS A 23 1.943 1.761 17.239 1.00 63.44 C ATOM 322 C LYS A 23 0.532 1.281 16.913 1.00 53.45 C ATOM 323 O LYS A 23 0.304 0.092 16.700 1.00 22.10 O ATOM 324 CB LYS A 23 2.118 1.864 18.756 1.00 12.24 C ATOM 325 CG LYS A 23 3.322 1.101 19.282 1.00 43.23 C ATOM 326 CD LYS A 23 3.018 -0.380 19.437 1.00 43.31 C ATOM 327 CE LYS A 23 2.019 -0.630 20.556 1.00 11.13 C ATOM 328 NZ LYS A 23 2.677 -1.186 21.771 1.00 32.34 N ATOM 0 H LYS A 23 2.514 3.779 17.256 1.00 22.35 H new ATOM 0 HA LYS A 23 2.656 1.037 16.844 1.00 63.44 H new ATOM 0 HB2 LYS A 23 2.215 2.914 19.032 1.00 12.24 H new ATOM 0 HB3 LYS A 23 1.219 1.488 19.244 1.00 12.24 H new ATOM 0 HG2 LYS A 23 4.163 1.232 18.601 1.00 43.23 H new ATOM 0 HG3 LYS A 23 3.624 1.514 20.244 1.00 43.23 H new ATOM 0 HD2 LYS A 23 2.622 -0.771 18.500 1.00 43.31 H new ATOM 0 HD3 LYS A 23 3.941 -0.922 19.644 1.00 43.31 H new ATOM 0 HE2 LYS A 23 1.516 0.303 20.810 1.00 11.13 H new ATOM 0 HE3 LYS A 23 1.251 -1.322 20.210 1.00 11.13 H new ATOM 0 HZ1 LYS A 23 2.071 -1.921 22.189 1.00 32.34 H new ATOM 0 HZ2 LYS A 23 3.594 -1.601 21.510 1.00 32.34 H new ATOM 0 HZ3 LYS A 23 2.826 -0.425 22.464 1.00 32.34 H new ATOM 342 N ALA A 24 -0.411 2.217 16.874 1.00 64.14 N ATOM 343 CA ALA A 24 -1.799 1.890 16.569 1.00 72.23 C ATOM 344 C ALA A 24 -1.954 1.453 15.116 1.00 62.15 C ATOM 345 O ALA A 24 -2.677 0.503 14.818 1.00 45.14 O ATOM 346 CB ALA A 24 -2.699 3.082 16.863 1.00 45.01 C ATOM 0 H ALA A 24 -0.239 3.207 17.050 1.00 64.14 H new ATOM 0 HA ALA A 24 -2.098 1.057 17.205 1.00 72.23 H new ATOM 0 HB1 ALA A 24 -3.732 2.824 16.631 1.00 45.01 H new ATOM 0 HB2 ALA A 24 -2.619 3.347 17.917 1.00 45.01 H new ATOM 0 HB3 ALA A 24 -2.391 3.930 16.252 1.00 45.01 H new ATOM 352 N PHE A 25 -1.273 2.154 14.217 1.00 53.52 N ATOM 353 CA PHE A 25 -1.336 1.840 12.794 1.00 61.21 C ATOM 354 C PHE A 25 -1.044 0.362 12.550 1.00 24.13 C ATOM 355 O PHE A 25 -1.809 -0.332 11.879 1.00 55.41 O ATOM 356 CB PHE A 25 -0.342 2.703 12.013 1.00 33.30 C ATOM 357 CG PHE A 25 -0.473 2.570 10.524 1.00 65.52 C ATOM 358 CD1 PHE A 25 -1.560 1.915 9.966 1.00 71.22 C ATOM 359 CD2 PHE A 25 0.489 3.100 9.680 1.00 32.11 C ATOM 360 CE1 PHE A 25 -1.684 1.791 8.595 1.00 34.02 C ATOM 361 CE2 PHE A 25 0.371 2.979 8.308 1.00 53.35 C ATOM 362 CZ PHE A 25 -0.717 2.323 7.765 1.00 51.42 C ATOM 0 H PHE A 25 -0.671 2.944 14.448 1.00 53.52 H new ATOM 0 HA PHE A 25 -2.346 2.056 12.445 1.00 61.21 H new ATOM 0 HB2 PHE A 25 -0.484 3.748 12.290 1.00 33.30 H new ATOM 0 HB3 PHE A 25 0.672 2.431 12.306 1.00 33.30 H new ATOM 0 HD1 PHE A 25 -2.319 1.497 10.610 1.00 71.22 H new ATOM 0 HD2 PHE A 25 1.342 3.614 10.099 1.00 32.11 H new ATOM 0 HE1 PHE A 25 -2.536 1.279 8.173 1.00 34.02 H new ATOM 0 HE2 PHE A 25 1.128 3.397 7.661 1.00 53.35 H new ATOM 0 HZ PHE A 25 -0.811 2.226 6.693 1.00 51.42 H new ATOM 372 N VAL A 26 0.069 -0.114 13.100 1.00 73.11 N ATOM 373 CA VAL A 26 0.463 -1.509 12.943 1.00 33.00 C ATOM 374 C VAL A 26 -0.472 -2.434 13.714 1.00 15.34 C ATOM 375 O VAL A 26 -0.680 -3.584 13.329 1.00 52.35 O ATOM 376 CB VAL A 26 1.909 -1.740 13.424 1.00 64.51 C ATOM 377 CG1 VAL A 26 1.924 -2.171 14.883 1.00 54.01 C ATOM 378 CG2 VAL A 26 2.601 -2.773 12.549 1.00 4.20 C ATOM 0 H VAL A 26 0.713 0.446 13.658 1.00 73.11 H new ATOM 0 HA VAL A 26 0.400 -1.739 11.879 1.00 33.00 H new ATOM 0 HB VAL A 26 2.456 -0.801 13.341 1.00 64.51 H new ATOM 0 HG11 VAL A 26 2.953 -2.329 15.205 1.00 54.01 H new ATOM 0 HG12 VAL A 26 1.467 -1.394 15.497 1.00 54.01 H new ATOM 0 HG13 VAL A 26 1.362 -3.098 14.994 1.00 54.01 H new ATOM 0 HG21 VAL A 26 3.621 -2.924 12.902 1.00 4.20 H new ATOM 0 HG22 VAL A 26 2.056 -3.716 12.599 1.00 4.20 H new ATOM 0 HG23 VAL A 26 2.623 -2.421 11.518 1.00 4.20 H new ATOM 388 N SER A 27 -1.033 -1.923 14.806 1.00 73.20 N ATOM 389 CA SER A 27 -1.944 -2.705 15.634 1.00 54.31 C ATOM 390 C SER A 27 -3.160 -3.153 14.830 1.00 44.22 C ATOM 391 O SER A 27 -3.815 -4.140 15.168 1.00 55.01 O ATOM 392 CB SER A 27 -2.393 -1.888 16.847 1.00 42.14 C ATOM 393 OG SER A 27 -1.823 -2.392 18.042 1.00 0.41 O ATOM 0 H SER A 27 -0.873 -0.972 15.137 1.00 73.20 H new ATOM 0 HA SER A 27 -1.412 -3.591 15.979 1.00 54.31 H new ATOM 0 HB2 SER A 27 -2.104 -0.846 16.714 1.00 42.14 H new ATOM 0 HB3 SER A 27 -3.480 -1.910 16.922 1.00 42.14 H new ATOM 0 HG SER A 27 -2.124 -1.851 18.802 1.00 0.41 H new ATOM 399 N LYS A 28 -3.458 -2.421 13.761 1.00 11.44 N ATOM 400 CA LYS A 28 -4.594 -2.741 12.906 1.00 3.52 C ATOM 401 C LYS A 28 -4.310 -3.984 12.067 1.00 75.31 C ATOM 402 O LYS A 28 -5.200 -4.509 11.398 1.00 1.00 O ATOM 403 CB LYS A 28 -4.918 -1.559 11.989 1.00 34.11 C ATOM 404 CG LYS A 28 -6.025 -0.663 12.520 1.00 24.34 C ATOM 405 CD LYS A 28 -5.750 -0.223 13.948 1.00 15.43 C ATOM 406 CE LYS A 28 -6.556 -1.037 14.947 1.00 74.35 C ATOM 407 NZ LYS A 28 -6.863 -0.256 16.178 1.00 32.33 N ATOM 0 H LYS A 28 -2.927 -1.601 13.467 1.00 11.44 H new ATOM 0 HA LYS A 28 -5.453 -2.943 13.546 1.00 3.52 H new ATOM 0 HB2 LYS A 28 -4.017 -0.963 11.846 1.00 34.11 H new ATOM 0 HB3 LYS A 28 -5.208 -1.939 11.009 1.00 34.11 H new ATOM 0 HG2 LYS A 28 -6.122 0.214 11.880 1.00 24.34 H new ATOM 0 HG3 LYS A 28 -6.976 -1.195 12.479 1.00 24.34 H new ATOM 0 HD2 LYS A 28 -4.687 -0.329 14.164 1.00 15.43 H new ATOM 0 HD3 LYS A 28 -5.994 0.834 14.057 1.00 15.43 H new ATOM 0 HE2 LYS A 28 -7.486 -1.364 14.483 1.00 74.35 H new ATOM 0 HE3 LYS A 28 -6.001 -1.936 15.216 1.00 74.35 H new ATOM 0 HZ1 LYS A 28 -7.414 -0.845 16.835 1.00 32.33 H new ATOM 0 HZ2 LYS A 28 -5.975 0.035 16.635 1.00 32.33 H new ATOM 0 HZ3 LYS A 28 -7.415 0.588 15.925 1.00 32.33 H new ATOM 421 N LYS A 29 -3.068 -4.450 12.111 1.00 31.03 N ATOM 422 CA LYS A 29 -2.667 -5.634 11.358 1.00 35.10 C ATOM 423 C LYS A 29 -2.487 -6.832 12.286 1.00 5.52 C ATOM 424 O LYS A 29 -2.603 -7.981 11.858 1.00 41.21 O ATOM 425 CB LYS A 29 -1.367 -5.364 10.598 1.00 50.53 C ATOM 426 CG LYS A 29 -1.317 -3.993 9.946 1.00 0.10 C ATOM 427 CD LYS A 29 -2.528 -3.753 9.060 1.00 55.52 C ATOM 428 CE LYS A 29 -2.602 -4.768 7.930 1.00 12.13 C ATOM 429 NZ LYS A 29 -3.696 -4.452 6.971 1.00 42.15 N ATOM 0 H LYS A 29 -2.320 -4.027 12.660 1.00 31.03 H new ATOM 0 HA LYS A 29 -3.457 -5.865 10.643 1.00 35.10 H new ATOM 0 HB2 LYS A 29 -0.527 -5.461 11.286 1.00 50.53 H new ATOM 0 HB3 LYS A 29 -1.240 -6.127 9.830 1.00 50.53 H new ATOM 0 HG2 LYS A 29 -1.271 -3.224 10.717 1.00 0.10 H new ATOM 0 HG3 LYS A 29 -0.407 -3.904 9.352 1.00 0.10 H new ATOM 0 HD2 LYS A 29 -3.436 -3.809 9.660 1.00 55.52 H new ATOM 0 HD3 LYS A 29 -2.482 -2.747 8.644 1.00 55.52 H new ATOM 0 HE2 LYS A 29 -1.650 -4.791 7.400 1.00 12.13 H new ATOM 0 HE3 LYS A 29 -2.760 -5.763 8.346 1.00 12.13 H new ATOM 0 HZ1 LYS A 29 -3.713 -5.167 6.216 1.00 42.15 H new ATOM 0 HZ2 LYS A 29 -4.608 -4.455 7.471 1.00 42.15 H new ATOM 0 HZ3 LYS A 29 -3.532 -3.513 6.555 1.00 42.15 H new ATOM 443 N ARG A 30 -2.205 -6.556 13.554 1.00 64.20 N ATOM 444 CA ARG A 30 -2.010 -7.613 14.540 1.00 14.43 C ATOM 445 C ARG A 30 -1.791 -7.024 15.930 1.00 31.44 C ATOM 446 O ARG A 30 -1.905 -5.815 16.129 1.00 43.41 O ATOM 447 CB ARG A 30 -0.816 -8.488 14.151 1.00 33.20 C ATOM 448 CG ARG A 30 0.456 -7.700 13.889 1.00 11.34 C ATOM 449 CD ARG A 30 1.131 -8.144 12.600 1.00 31.35 C ATOM 450 NE ARG A 30 1.227 -9.599 12.506 1.00 11.03 N ATOM 451 CZ ARG A 30 1.404 -10.251 11.362 1.00 60.53 C ATOM 452 NH1 ARG A 30 1.504 -9.581 10.222 1.00 24.53 N ATOM 453 NH2 ARG A 30 1.482 -11.575 11.358 1.00 64.44 N ATOM 0 H ARG A 30 -2.106 -5.610 13.924 1.00 64.20 H new ATOM 0 HA ARG A 30 -2.910 -8.227 14.562 1.00 14.43 H new ATOM 0 HB2 ARG A 30 -0.630 -9.208 14.947 1.00 33.20 H new ATOM 0 HB3 ARG A 30 -1.070 -9.059 13.258 1.00 33.20 H new ATOM 0 HG2 ARG A 30 0.221 -6.637 13.831 1.00 11.34 H new ATOM 0 HG3 ARG A 30 1.144 -7.829 14.725 1.00 11.34 H new ATOM 0 HD2 ARG A 30 0.571 -7.762 11.747 1.00 31.35 H new ATOM 0 HD3 ARG A 30 2.130 -7.710 12.546 1.00 31.35 H new ATOM 0 HE ARG A 30 1.154 -10.144 13.365 1.00 11.03 H new ATOM 0 HH11 ARG A 30 1.445 -8.563 10.222 1.00 24.53 H new ATOM 0 HH12 ARG A 30 1.640 -10.084 9.345 1.00 24.53 H new ATOM 0 HH21 ARG A 30 1.406 -12.093 12.233 1.00 64.44 H new ATOM 0 HH22 ARG A 30 1.618 -12.075 10.480 1.00 64.44 H new ATOM 467 N ALA A 31 -1.477 -7.888 16.891 1.00 52.43 N ATOM 468 CA ALA A 31 -1.240 -7.454 18.262 1.00 60.24 C ATOM 469 C ALA A 31 0.208 -7.695 18.672 1.00 15.42 C ATOM 470 O ALA A 31 0.566 -8.789 19.107 1.00 1.43 O ATOM 471 CB ALA A 31 -2.187 -8.172 19.213 1.00 32.20 C ATOM 0 H ALA A 31 -1.381 -8.893 16.744 1.00 52.43 H new ATOM 0 HA ALA A 31 -1.431 -6.382 18.316 1.00 60.24 H new ATOM 0 HB1 ALA A 31 -1.999 -7.839 20.234 1.00 32.20 H new ATOM 0 HB2 ALA A 31 -3.218 -7.945 18.941 1.00 32.20 H new ATOM 0 HB3 ALA A 31 -2.023 -9.248 19.147 1.00 32.20 H new ATOM 477 N ILE A 32 1.037 -6.665 18.531 1.00 44.32 N ATOM 478 CA ILE A 32 2.446 -6.765 18.887 1.00 3.40 C ATOM 479 C ILE A 32 2.889 -5.566 19.719 1.00 3.03 C ATOM 480 O ILE A 32 3.123 -4.480 19.188 1.00 61.01 O ATOM 481 CB ILE A 32 3.338 -6.865 17.635 1.00 51.30 C ATOM 482 CG1 ILE A 32 2.922 -8.064 16.780 1.00 50.13 C ATOM 483 CG2 ILE A 32 4.802 -6.975 18.035 1.00 42.41 C ATOM 484 CD1 ILE A 32 3.646 -8.141 15.454 1.00 35.42 C ATOM 0 H ILE A 32 0.756 -5.752 18.173 1.00 44.32 H new ATOM 0 HA ILE A 32 2.559 -7.675 19.476 1.00 3.40 H new ATOM 0 HB ILE A 32 3.211 -5.959 17.043 1.00 51.30 H new ATOM 0 HG12 ILE A 32 3.107 -8.981 17.340 1.00 50.13 H new ATOM 0 HG13 ILE A 32 1.849 -8.014 16.596 1.00 50.13 H new ATOM 0 HG21 ILE A 32 5.420 -7.045 17.140 1.00 42.41 H new ATOM 0 HG22 ILE A 32 5.090 -6.093 18.607 1.00 42.41 H new ATOM 0 HG23 ILE A 32 4.946 -7.866 18.646 1.00 42.41 H new ATOM 0 HD11 ILE A 32 3.301 -9.015 14.901 1.00 35.42 H new ATOM 0 HD12 ILE A 32 3.441 -7.241 14.875 1.00 35.42 H new ATOM 0 HD13 ILE A 32 4.719 -8.223 15.629 1.00 35.42 H new ATOM 496 N LYS A 33 3.006 -5.771 21.027 1.00 42.52 N ATOM 497 CA LYS A 33 3.425 -4.709 21.934 1.00 5.25 C ATOM 498 C LYS A 33 4.944 -4.579 21.954 1.00 11.12 C ATOM 499 O LYS A 33 5.639 -5.401 22.550 1.00 31.05 O ATOM 500 CB LYS A 33 2.907 -4.984 23.346 1.00 74.45 C ATOM 501 CG LYS A 33 3.260 -6.366 23.867 1.00 60.34 C ATOM 502 CD LYS A 33 3.974 -6.292 25.206 1.00 30.44 C ATOM 503 CE LYS A 33 3.480 -7.368 26.161 1.00 63.32 C ATOM 504 NZ LYS A 33 4.042 -7.196 27.529 1.00 30.43 N ATOM 0 H LYS A 33 2.816 -6.664 21.483 1.00 42.52 H new ATOM 0 HA LYS A 33 3.003 -3.770 21.575 1.00 5.25 H new ATOM 0 HB2 LYS A 33 3.314 -4.235 24.025 1.00 74.45 H new ATOM 0 HB3 LYS A 33 1.823 -4.868 23.355 1.00 74.45 H new ATOM 0 HG2 LYS A 33 2.352 -6.960 23.970 1.00 60.34 H new ATOM 0 HG3 LYS A 33 3.894 -6.878 23.143 1.00 60.34 H new ATOM 0 HD2 LYS A 33 5.048 -6.404 25.054 1.00 30.44 H new ATOM 0 HD3 LYS A 33 3.816 -5.309 25.650 1.00 30.44 H new ATOM 0 HE2 LYS A 33 2.391 -7.339 26.209 1.00 63.32 H new ATOM 0 HE3 LYS A 33 3.756 -8.350 25.776 1.00 63.32 H new ATOM 0 HZ1 LYS A 33 3.681 -7.949 28.150 1.00 30.43 H new ATOM 0 HZ2 LYS A 33 5.080 -7.249 27.487 1.00 30.43 H new ATOM 0 HZ3 LYS A 33 3.758 -6.270 27.907 1.00 30.43 H new ATOM 518 N ASN A 34 5.454 -3.540 21.301 1.00 63.02 N ATOM 519 CA ASN A 34 6.892 -3.302 21.245 1.00 31.41 C ATOM 520 C ASN A 34 7.235 -1.916 21.780 1.00 75.14 C ATOM 521 O ASN A 34 7.070 -0.913 21.085 1.00 61.32 O ATOM 522 CB ASN A 34 7.399 -3.447 19.809 1.00 2.32 C ATOM 523 CG ASN A 34 7.238 -4.858 19.278 1.00 70.42 C ATOM 524 OD1 ASN A 34 7.149 -5.816 20.047 1.00 61.40 O ATOM 525 ND2 ASN A 34 7.199 -4.993 17.959 1.00 44.53 N ATOM 0 H ASN A 34 4.893 -2.849 20.803 1.00 63.02 H new ATOM 0 HA ASN A 34 7.383 -4.046 21.873 1.00 31.41 H new ATOM 0 HB2 ASN A 34 6.857 -2.755 19.164 1.00 2.32 H new ATOM 0 HB3 ASN A 34 8.451 -3.164 19.768 1.00 2.32 H new ATOM 0 HD21 ASN A 34 7.092 -5.919 17.544 1.00 44.53 H new ATOM 0 HD22 ASN A 34 7.276 -4.171 17.360 1.00 44.53 H new ATOM 532 N GLU A 35 7.713 -1.866 23.020 1.00 5.33 N ATOM 533 CA GLU A 35 8.079 -0.602 23.647 1.00 32.11 C ATOM 534 C GLU A 35 9.394 -0.072 23.079 1.00 64.34 C ATOM 535 O GLU A 35 9.527 1.120 22.808 1.00 32.30 O ATOM 536 CB GLU A 35 8.200 -0.776 25.163 1.00 41.44 C ATOM 537 CG GLU A 35 7.425 0.262 25.958 1.00 13.31 C ATOM 538 CD GLU A 35 8.294 1.419 26.409 1.00 53.10 C ATOM 539 OE1 GLU A 35 8.825 2.138 25.537 1.00 2.10 O ATOM 540 OE2 GLU A 35 8.445 1.606 27.635 1.00 51.50 O ATOM 0 H GLU A 35 7.856 -2.686 23.609 1.00 5.33 H new ATOM 0 HA GLU A 35 7.293 0.121 23.432 1.00 32.11 H new ATOM 0 HB2 GLU A 35 7.845 -1.770 25.436 1.00 41.44 H new ATOM 0 HB3 GLU A 35 9.252 -0.725 25.443 1.00 41.44 H new ATOM 0 HG2 GLU A 35 6.606 0.644 25.349 1.00 13.31 H new ATOM 0 HG3 GLU A 35 6.978 -0.214 26.831 1.00 13.31 H new ATOM 547 N GLN A 36 10.359 -0.969 22.903 1.00 64.05 N ATOM 548 CA GLN A 36 11.662 -0.592 22.369 1.00 3.14 C ATOM 549 C GLN A 36 11.568 -0.271 20.880 1.00 15.02 C ATOM 550 O GLN A 36 12.059 0.764 20.426 1.00 63.00 O ATOM 551 CB GLN A 36 12.674 -1.716 22.596 1.00 14.15 C ATOM 552 CG GLN A 36 14.068 -1.217 22.946 1.00 25.31 C ATOM 553 CD GLN A 36 15.146 -1.851 22.091 1.00 43.33 C ATOM 554 OE1 GLN A 36 15.969 -1.157 21.494 1.00 31.12 O ATOM 555 NE2 GLN A 36 15.148 -3.178 22.025 1.00 51.13 N ATOM 0 H GLN A 36 10.263 -1.961 23.122 1.00 64.05 H new ATOM 0 HA GLN A 36 11.997 0.302 22.895 1.00 3.14 H new ATOM 0 HB2 GLN A 36 12.315 -2.360 23.399 1.00 14.15 H new ATOM 0 HB3 GLN A 36 12.732 -2.329 21.697 1.00 14.15 H new ATOM 0 HG2 GLN A 36 14.103 -0.134 22.825 1.00 25.31 H new ATOM 0 HG3 GLN A 36 14.272 -1.427 23.996 1.00 25.31 H new ATOM 0 HE21 GLN A 36 14.447 -3.715 22.536 1.00 51.13 H new ATOM 0 HE22 GLN A 36 15.850 -3.660 21.463 1.00 51.13 H new ATOM 564 N LEU A 37 10.935 -1.163 20.126 1.00 54.05 N ATOM 565 CA LEU A 37 10.776 -0.974 18.689 1.00 1.03 C ATOM 566 C LEU A 37 9.982 0.293 18.390 1.00 3.52 C ATOM 567 O LEU A 37 10.280 1.016 17.438 1.00 12.11 O ATOM 568 CB LEU A 37 10.077 -2.185 18.070 1.00 5.32 C ATOM 569 CG LEU A 37 10.315 -2.406 16.575 1.00 33.21 C ATOM 570 CD1 LEU A 37 11.653 -3.091 16.343 1.00 2.32 C ATOM 571 CD2 LEU A 37 9.183 -3.224 15.970 1.00 15.23 C ATOM 0 H LEU A 37 10.524 -2.024 20.486 1.00 54.05 H new ATOM 0 HA LEU A 37 11.768 -0.870 18.250 1.00 1.03 H new ATOM 0 HB2 LEU A 37 10.400 -3.078 18.605 1.00 5.32 H new ATOM 0 HB3 LEU A 37 9.004 -2.084 18.236 1.00 5.32 H new ATOM 0 HG LEU A 37 10.338 -1.434 16.083 1.00 33.21 H new ATOM 0 HD11 LEU A 37 11.805 -3.240 15.274 1.00 2.32 H new ATOM 0 HD12 LEU A 37 12.454 -2.468 16.740 1.00 2.32 H new ATOM 0 HD13 LEU A 37 11.660 -4.057 16.848 1.00 2.32 H new ATOM 0 HD21 LEU A 37 9.369 -3.371 14.906 1.00 15.23 H new ATOM 0 HD22 LEU A 37 9.129 -4.193 16.467 1.00 15.23 H new ATOM 0 HD23 LEU A 37 8.240 -2.694 16.103 1.00 15.23 H new ATOM 583 N LEU A 38 8.971 0.558 19.210 1.00 61.34 N ATOM 584 CA LEU A 38 8.134 1.741 19.036 1.00 45.11 C ATOM 585 C LEU A 38 8.952 3.017 19.199 1.00 0.25 C ATOM 586 O LEU A 38 8.864 3.932 18.382 1.00 5.33 O ATOM 587 CB LEU A 38 6.982 1.727 20.041 1.00 70.11 C ATOM 588 CG LEU A 38 6.104 2.978 20.073 1.00 54.12 C ATOM 589 CD1 LEU A 38 6.730 4.047 20.956 1.00 42.33 C ATOM 590 CD2 LEU A 38 5.882 3.510 18.665 1.00 71.13 C ATOM 0 H LEU A 38 8.711 -0.030 20.002 1.00 61.34 H new ATOM 0 HA LEU A 38 7.726 1.721 18.025 1.00 45.11 H new ATOM 0 HB2 LEU A 38 6.348 0.868 19.824 1.00 70.11 H new ATOM 0 HB3 LEU A 38 7.397 1.573 21.037 1.00 70.11 H new ATOM 0 HG LEU A 38 5.136 2.708 20.495 1.00 54.12 H new ATOM 0 HD11 LEU A 38 6.091 4.930 20.967 1.00 42.33 H new ATOM 0 HD12 LEU A 38 6.837 3.664 21.971 1.00 42.33 H new ATOM 0 HD13 LEU A 38 7.711 4.314 20.564 1.00 42.33 H new ATOM 0 HD21 LEU A 38 5.255 4.401 18.707 1.00 71.13 H new ATOM 0 HD22 LEU A 38 6.842 3.763 18.216 1.00 71.13 H new ATOM 0 HD23 LEU A 38 5.389 2.748 18.061 1.00 71.13 H new ATOM 602 N GLN A 39 9.751 3.069 20.261 1.00 20.15 N ATOM 603 CA GLN A 39 10.587 4.233 20.531 1.00 20.14 C ATOM 604 C GLN A 39 11.609 4.440 19.418 1.00 21.33 C ATOM 605 O GLN A 39 11.727 5.533 18.864 1.00 73.12 O ATOM 606 CB GLN A 39 11.303 4.072 21.873 1.00 61.52 C ATOM 607 CG GLN A 39 11.358 5.353 22.690 1.00 10.04 C ATOM 608 CD GLN A 39 11.941 6.517 21.913 1.00 3.33 C ATOM 609 OE1 GLN A 39 11.216 7.406 21.468 1.00 14.34 O ATOM 610 NE2 GLN A 39 13.259 6.515 21.745 1.00 70.34 N ATOM 0 H GLN A 39 9.837 2.319 20.947 1.00 20.15 H new ATOM 0 HA GLN A 39 9.941 5.110 20.574 1.00 20.14 H new ATOM 0 HB2 GLN A 39 10.798 3.301 22.455 1.00 61.52 H new ATOM 0 HB3 GLN A 39 12.319 3.721 21.694 1.00 61.52 H new ATOM 0 HG2 GLN A 39 10.352 5.611 23.023 1.00 10.04 H new ATOM 0 HG3 GLN A 39 11.956 5.183 23.585 1.00 10.04 H new ATOM 0 HE21 GLN A 39 13.821 5.757 22.132 1.00 70.34 H new ATOM 0 HE22 GLN A 39 13.709 7.272 21.229 1.00 70.34 H new ATOM 619 N LEU A 40 12.346 3.383 19.095 1.00 22.33 N ATOM 620 CA LEU A 40 13.359 3.448 18.047 1.00 22.43 C ATOM 621 C LEU A 40 12.728 3.787 16.700 1.00 12.25 C ATOM 622 O LEU A 40 13.162 4.714 16.017 1.00 53.53 O ATOM 623 CB LEU A 40 14.108 2.117 17.952 1.00 22.14 C ATOM 624 CG LEU A 40 15.615 2.211 17.711 1.00 72.12 C ATOM 625 CD1 LEU A 40 16.216 0.825 17.540 1.00 41.12 C ATOM 626 CD2 LEU A 40 15.907 3.075 16.493 1.00 11.41 C ATOM 0 H LEU A 40 12.261 2.471 19.544 1.00 22.33 H new ATOM 0 HA LEU A 40 14.065 4.238 18.306 1.00 22.43 H new ATOM 0 HB2 LEU A 40 13.942 1.563 18.876 1.00 22.14 H new ATOM 0 HB3 LEU A 40 13.667 1.532 17.145 1.00 22.14 H new ATOM 0 HG LEU A 40 16.074 2.678 18.582 1.00 72.12 H new ATOM 0 HD11 LEU A 40 17.289 0.912 17.369 1.00 41.12 H new ATOM 0 HD12 LEU A 40 16.038 0.238 18.441 1.00 41.12 H new ATOM 0 HD13 LEU A 40 15.752 0.330 16.687 1.00 41.12 H new ATOM 0 HD21 LEU A 40 16.984 3.131 16.336 1.00 11.41 H new ATOM 0 HD22 LEU A 40 15.435 2.636 15.614 1.00 11.41 H new ATOM 0 HD23 LEU A 40 15.511 4.078 16.655 1.00 11.41 H new ATOM 638 N ILE A 41 11.702 3.030 16.326 1.00 51.12 N ATOM 639 CA ILE A 41 11.010 3.254 15.063 1.00 10.12 C ATOM 640 C ILE A 41 10.383 4.642 15.017 1.00 54.11 C ATOM 641 O ILE A 41 10.288 5.259 13.955 1.00 34.32 O ATOM 642 CB ILE A 41 9.912 2.199 14.828 1.00 1.03 C ATOM 643 CG1 ILE A 41 10.539 0.826 14.575 1.00 71.43 C ATOM 644 CG2 ILE A 41 9.027 2.607 13.660 1.00 64.31 C ATOM 645 CD1 ILE A 41 11.347 0.757 13.299 1.00 2.51 C ATOM 0 H ILE A 41 11.332 2.257 16.879 1.00 51.12 H new ATOM 0 HA ILE A 41 11.758 3.170 14.275 1.00 10.12 H new ATOM 0 HB ILE A 41 9.293 2.135 15.723 1.00 1.03 H new ATOM 0 HG12 ILE A 41 11.182 0.568 15.417 1.00 71.43 H new ATOM 0 HG13 ILE A 41 9.749 0.076 14.536 1.00 71.43 H new ATOM 0 HG21 ILE A 41 8.256 1.852 13.506 1.00 64.31 H new ATOM 0 HG22 ILE A 41 8.557 3.566 13.877 1.00 64.31 H new ATOM 0 HG23 ILE A 41 9.633 2.696 12.758 1.00 64.31 H new ATOM 0 HD11 ILE A 41 11.761 -0.245 13.184 1.00 2.51 H new ATOM 0 HD12 ILE A 41 10.704 0.983 12.448 1.00 2.51 H new ATOM 0 HD13 ILE A 41 12.159 1.483 13.343 1.00 2.51 H new ATOM 657 N PHE A 42 9.956 5.132 16.177 1.00 23.22 N ATOM 658 CA PHE A 42 9.339 6.449 16.271 1.00 51.32 C ATOM 659 C PHE A 42 10.309 7.537 15.821 1.00 40.25 C ATOM 660 O PHE A 42 9.975 8.373 14.980 1.00 43.41 O ATOM 661 CB PHE A 42 8.881 6.720 17.706 1.00 62.03 C ATOM 662 CG PHE A 42 8.474 8.146 17.945 1.00 72.33 C ATOM 663 CD1 PHE A 42 7.413 8.705 17.249 1.00 10.02 C ATOM 664 CD2 PHE A 42 9.152 8.928 18.867 1.00 61.14 C ATOM 665 CE1 PHE A 42 7.036 10.016 17.468 1.00 21.22 C ATOM 666 CE2 PHE A 42 8.778 10.240 19.090 1.00 1.52 C ATOM 667 CZ PHE A 42 7.720 10.784 18.389 1.00 53.34 C ATOM 0 H PHE A 42 10.026 4.636 17.065 1.00 23.22 H new ATOM 0 HA PHE A 42 8.472 6.464 15.611 1.00 51.32 H new ATOM 0 HB2 PHE A 42 8.041 6.066 17.941 1.00 62.03 H new ATOM 0 HB3 PHE A 42 9.688 6.461 18.392 1.00 62.03 H new ATOM 0 HD1 PHE A 42 6.875 8.109 16.527 1.00 10.02 H new ATOM 0 HD2 PHE A 42 9.981 8.508 19.417 1.00 61.14 H new ATOM 0 HE1 PHE A 42 6.208 10.439 16.920 1.00 21.22 H new ATOM 0 HE2 PHE A 42 9.313 10.839 19.812 1.00 1.52 H new ATOM 0 HZ PHE A 42 7.428 11.809 18.561 1.00 53.34 H new ATOM 677 N LYS A 43 11.511 7.522 16.387 1.00 72.23 N ATOM 678 CA LYS A 43 12.531 8.506 16.044 1.00 34.31 C ATOM 679 C LYS A 43 13.087 8.249 14.648 1.00 55.20 C ATOM 680 O LYS A 43 13.500 9.178 13.954 1.00 3.32 O ATOM 681 CB LYS A 43 13.664 8.473 17.072 1.00 2.14 C ATOM 682 CG LYS A 43 14.135 9.852 17.502 1.00 1.15 C ATOM 683 CD LYS A 43 15.455 9.781 18.253 1.00 73.22 C ATOM 684 CE LYS A 43 16.581 10.428 17.462 1.00 32.43 C ATOM 685 NZ LYS A 43 17.536 11.152 18.348 1.00 24.12 N ATOM 0 H LYS A 43 11.803 6.839 17.086 1.00 72.23 H new ATOM 0 HA LYS A 43 12.068 9.493 16.054 1.00 34.31 H new ATOM 0 HB2 LYS A 43 13.330 7.922 17.951 1.00 2.14 H new ATOM 0 HB3 LYS A 43 14.508 7.924 16.653 1.00 2.14 H new ATOM 0 HG2 LYS A 43 14.248 10.489 16.625 1.00 1.15 H new ATOM 0 HG3 LYS A 43 13.379 10.315 18.136 1.00 1.15 H new ATOM 0 HD2 LYS A 43 15.354 10.279 19.217 1.00 73.22 H new ATOM 0 HD3 LYS A 43 15.704 8.739 18.457 1.00 73.22 H new ATOM 0 HE2 LYS A 43 17.116 9.663 16.899 1.00 32.43 H new ATOM 0 HE3 LYS A 43 16.161 11.123 16.735 1.00 32.43 H new ATOM 0 HZ1 LYS A 43 18.289 11.579 17.771 1.00 24.12 H new ATOM 0 HZ2 LYS A 43 17.031 11.899 18.866 1.00 24.12 H new ATOM 0 HZ3 LYS A 43 17.956 10.484 19.025 1.00 24.12 H new ATOM 699 N SER A 44 13.095 6.984 14.242 1.00 24.55 N ATOM 700 CA SER A 44 13.603 6.604 12.929 1.00 53.32 C ATOM 701 C SER A 44 12.668 7.088 11.824 1.00 11.15 C ATOM 702 O SER A 44 13.103 7.719 10.860 1.00 33.23 O ATOM 703 CB SER A 44 13.771 5.087 12.843 1.00 4.35 C ATOM 704 OG SER A 44 15.004 4.677 13.411 1.00 64.45 O ATOM 0 H SER A 44 12.755 6.204 14.804 1.00 24.55 H new ATOM 0 HA SER A 44 14.575 7.078 12.792 1.00 53.32 H new ATOM 0 HB2 SER A 44 12.947 4.597 13.362 1.00 4.35 H new ATOM 0 HB3 SER A 44 13.724 4.771 11.801 1.00 4.35 H new ATOM 0 HG SER A 44 14.889 4.531 14.373 1.00 64.45 H new ATOM 710 N ILE A 45 11.383 6.788 11.972 1.00 30.42 N ATOM 711 CA ILE A 45 10.387 7.191 10.989 1.00 73.15 C ATOM 712 C ILE A 45 10.238 8.709 10.948 1.00 41.22 C ATOM 713 O ILE A 45 9.967 9.288 9.896 1.00 71.45 O ATOM 714 CB ILE A 45 9.013 6.561 11.286 1.00 31.52 C ATOM 715 CG1 ILE A 45 9.078 5.042 11.115 1.00 64.54 C ATOM 716 CG2 ILE A 45 7.948 7.157 10.379 1.00 52.42 C ATOM 717 CD1 ILE A 45 7.752 4.351 11.349 1.00 0.44 C ATOM 0 H ILE A 45 11.007 6.267 12.764 1.00 30.42 H new ATOM 0 HA ILE A 45 10.739 6.835 10.021 1.00 73.15 H new ATOM 0 HB ILE A 45 8.745 6.781 12.319 1.00 31.52 H new ATOM 0 HG12 ILE A 45 9.426 4.812 10.108 1.00 64.54 H new ATOM 0 HG13 ILE A 45 9.817 4.638 11.807 1.00 64.54 H new ATOM 0 HG21 ILE A 45 6.983 6.701 10.602 1.00 52.42 H new ATOM 0 HG22 ILE A 45 7.888 8.232 10.546 1.00 52.42 H new ATOM 0 HG23 ILE A 45 8.208 6.965 9.338 1.00 52.42 H new ATOM 0 HD11 ILE A 45 7.872 3.276 11.211 1.00 0.44 H new ATOM 0 HD12 ILE A 45 7.412 4.550 12.365 1.00 0.44 H new ATOM 0 HD13 ILE A 45 7.015 4.728 10.640 1.00 0.44 H new ATOM 729 N ASP A 46 10.421 9.346 12.099 1.00 55.15 N ATOM 730 CA ASP A 46 10.311 10.798 12.195 1.00 61.34 C ATOM 731 C ASP A 46 11.618 11.470 11.789 1.00 31.42 C ATOM 732 O ASP A 46 12.664 11.227 12.390 1.00 22.13 O ATOM 733 CB ASP A 46 9.931 11.209 13.618 1.00 74.23 C ATOM 734 CG ASP A 46 9.112 12.484 13.653 1.00 52.50 C ATOM 735 OD1 ASP A 46 9.210 13.279 12.695 1.00 11.11 O ATOM 736 OD2 ASP A 46 8.373 12.688 14.639 1.00 25.12 O ATOM 0 H ASP A 46 10.646 8.881 12.978 1.00 55.15 H new ATOM 0 HA ASP A 46 9.528 11.125 11.510 1.00 61.34 H new ATOM 0 HB2 ASP A 46 9.365 10.404 14.087 1.00 74.23 H new ATOM 0 HB3 ASP A 46 10.837 11.347 14.208 1.00 74.23 H new ATOM 741 N ALA A 47 11.552 12.315 10.766 1.00 72.42 N ATOM 742 CA ALA A 47 12.730 13.023 10.282 1.00 53.43 C ATOM 743 C ALA A 47 13.267 13.983 11.338 1.00 21.20 C ATOM 744 O ALA A 47 14.478 14.089 11.536 1.00 44.15 O ATOM 745 CB ALA A 47 12.404 13.775 9.000 1.00 52.23 C ATOM 0 H ALA A 47 10.694 12.526 10.256 1.00 72.42 H new ATOM 0 HA ALA A 47 13.505 12.286 10.071 1.00 53.43 H new ATOM 0 HB1 ALA A 47 13.293 14.299 8.650 1.00 52.23 H new ATOM 0 HB2 ALA A 47 12.075 13.069 8.238 1.00 52.23 H new ATOM 0 HB3 ALA A 47 11.610 14.496 9.193 1.00 52.23 H new ATOM 751 N ASP A 48 12.360 14.679 12.013 1.00 35.34 N ATOM 752 CA ASP A 48 12.742 15.631 13.052 1.00 5.42 C ATOM 753 C ASP A 48 12.387 15.097 14.435 1.00 55.14 C ATOM 754 O ASP A 48 12.872 15.599 15.448 1.00 35.55 O ATOM 755 CB ASP A 48 12.056 16.977 12.817 1.00 32.21 C ATOM 756 CG ASP A 48 10.546 16.855 12.760 1.00 3.40 C ATOM 757 OD1 ASP A 48 10.036 15.728 12.924 1.00 20.34 O ATOM 758 OD2 ASP A 48 9.874 17.886 12.549 1.00 14.44 O ATOM 0 H ASP A 48 11.354 14.603 11.860 1.00 35.34 H new ATOM 0 HA ASP A 48 13.822 15.771 13.004 1.00 5.42 H new ATOM 0 HB2 ASP A 48 12.332 17.666 13.615 1.00 32.21 H new ATOM 0 HB3 ASP A 48 12.418 17.408 11.884 1.00 32.21 H new ATOM 763 N GLY A 49 11.532 14.078 14.470 1.00 12.45 N ATOM 764 CA GLY A 49 11.125 13.496 15.735 1.00 23.35 C ATOM 765 C GLY A 49 10.461 14.504 16.651 1.00 73.22 C ATOM 766 O GLY A 49 10.594 14.426 17.871 1.00 12.01 O ATOM 0 H GLY A 49 11.115 13.646 13.645 1.00 12.45 H new ATOM 0 HA2 GLY A 49 10.437 12.672 15.547 1.00 23.35 H new ATOM 0 HA3 GLY A 49 11.997 13.075 16.235 1.00 23.35 H new ATOM 770 N ASN A 50 9.745 15.455 16.060 1.00 72.43 N ATOM 771 CA ASN A 50 9.059 16.486 16.833 1.00 43.21 C ATOM 772 C ASN A 50 7.682 16.005 17.278 1.00 60.50 C ATOM 773 O ASN A 50 6.667 16.349 16.674 1.00 52.14 O ATOM 774 CB ASN A 50 8.921 17.765 16.005 1.00 1.31 C ATOM 775 CG ASN A 50 8.154 17.541 14.716 1.00 61.21 C ATOM 776 OD1 ASN A 50 7.957 16.404 14.287 1.00 21.14 O ATOM 777 ND2 ASN A 50 7.715 18.628 14.093 1.00 41.30 N ATOM 0 H ASN A 50 9.624 15.534 15.050 1.00 72.43 H new ATOM 0 HA ASN A 50 9.655 16.698 17.721 1.00 43.21 H new ATOM 0 HB2 ASN A 50 8.414 18.526 16.599 1.00 1.31 H new ATOM 0 HB3 ASN A 50 9.913 18.152 15.772 1.00 1.31 H new ATOM 0 HD21 ASN A 50 7.191 18.540 13.222 1.00 41.30 H new ATOM 0 HD22 ASN A 50 7.902 19.551 14.485 1.00 41.30 H new ATOM 784 N GLY A 51 7.655 15.207 18.342 1.00 60.15 N ATOM 785 CA GLY A 51 6.397 14.692 18.852 1.00 54.43 C ATOM 786 C GLY A 51 5.757 13.692 17.911 1.00 42.10 C ATOM 787 O GLY A 51 5.295 12.635 18.340 1.00 31.23 O ATOM 0 H GLY A 51 8.482 14.908 18.860 1.00 60.15 H new ATOM 0 HA2 GLY A 51 6.567 14.219 19.819 1.00 54.43 H new ATOM 0 HA3 GLY A 51 5.709 15.521 19.019 1.00 54.43 H new ATOM 791 N GLU A 52 5.728 14.025 16.624 1.00 73.42 N ATOM 792 CA GLU A 52 5.135 13.148 15.622 1.00 31.21 C ATOM 793 C GLU A 52 5.781 13.368 14.257 1.00 53.20 C ATOM 794 O GLU A 52 6.479 14.359 14.042 1.00 55.43 O ATOM 795 CB GLU A 52 3.626 13.387 15.530 1.00 4.34 C ATOM 796 CG GLU A 52 3.242 14.857 15.520 1.00 12.24 C ATOM 797 CD GLU A 52 4.039 15.661 14.511 1.00 13.45 C ATOM 798 OE1 GLU A 52 4.005 15.313 13.312 1.00 72.41 O ATOM 799 OE2 GLU A 52 4.698 16.641 14.921 1.00 71.21 O ATOM 0 H GLU A 52 6.108 14.895 16.251 1.00 73.42 H new ATOM 0 HA GLU A 52 5.313 12.117 15.927 1.00 31.21 H new ATOM 0 HB2 GLU A 52 3.247 12.915 14.624 1.00 4.34 H new ATOM 0 HB3 GLU A 52 3.137 12.898 16.373 1.00 4.34 H new ATOM 0 HG2 GLU A 52 2.179 14.950 15.295 1.00 12.24 H new ATOM 0 HG3 GLU A 52 3.395 15.275 16.515 1.00 12.24 H new ATOM 806 N ILE A 53 5.543 12.437 13.339 1.00 72.12 N ATOM 807 CA ILE A 53 6.100 12.530 11.995 1.00 74.33 C ATOM 808 C ILE A 53 5.123 13.208 11.041 1.00 13.53 C ATOM 809 O ILE A 53 3.985 12.767 10.885 1.00 41.15 O ATOM 810 CB ILE A 53 6.463 11.141 11.439 1.00 33.44 C ATOM 811 CG1 ILE A 53 7.088 10.276 12.536 1.00 13.42 C ATOM 812 CG2 ILE A 53 7.410 11.274 10.257 1.00 32.04 C ATOM 813 CD1 ILE A 53 6.175 9.179 13.035 1.00 33.21 C ATOM 0 H ILE A 53 4.968 11.610 13.501 1.00 72.12 H new ATOM 0 HA ILE A 53 7.007 13.130 12.070 1.00 74.33 H new ATOM 0 HB ILE A 53 5.551 10.654 11.094 1.00 33.44 H new ATOM 0 HG12 ILE A 53 8.006 9.828 12.155 1.00 13.42 H new ATOM 0 HG13 ILE A 53 7.368 10.914 13.374 1.00 13.42 H new ATOM 0 HG21 ILE A 53 7.657 10.283 9.875 1.00 32.04 H new ATOM 0 HG22 ILE A 53 6.931 11.857 9.470 1.00 32.04 H new ATOM 0 HG23 ILE A 53 8.322 11.778 10.577 1.00 32.04 H new ATOM 0 HD11 ILE A 53 6.684 8.607 13.811 1.00 33.21 H new ATOM 0 HD12 ILE A 53 5.267 9.620 13.446 1.00 33.21 H new ATOM 0 HD13 ILE A 53 5.915 8.518 12.208 1.00 33.21 H new ATOM 825 N ASP A 54 5.577 14.281 10.402 1.00 34.30 N ATOM 826 CA ASP A 54 4.744 15.019 9.460 1.00 74.11 C ATOM 827 C ASP A 54 4.640 14.278 8.131 1.00 40.32 C ATOM 828 O ASP A 54 5.476 13.433 7.815 1.00 64.10 O ATOM 829 CB ASP A 54 5.313 16.421 9.234 1.00 63.13 C ATOM 830 CG ASP A 54 5.806 17.061 10.517 1.00 63.54 C ATOM 831 OD1 ASP A 54 5.271 16.719 11.592 1.00 23.35 O ATOM 832 OD2 ASP A 54 6.723 17.905 10.445 1.00 33.44 O ATOM 0 H ASP A 54 6.517 14.659 10.519 1.00 34.30 H new ATOM 0 HA ASP A 54 3.744 15.105 9.886 1.00 74.11 H new ATOM 0 HB2 ASP A 54 6.135 16.365 8.520 1.00 63.13 H new ATOM 0 HB3 ASP A 54 4.546 17.054 8.788 1.00 63.13 H new ATOM 837 N GLN A 55 3.607 14.601 7.359 1.00 4.22 N ATOM 838 CA GLN A 55 3.394 13.964 6.065 1.00 41.53 C ATOM 839 C GLN A 55 4.638 14.076 5.190 1.00 34.14 C ATOM 840 O GLN A 55 5.055 13.105 4.560 1.00 23.30 O ATOM 841 CB GLN A 55 2.197 14.597 5.352 1.00 34.42 C ATOM 842 CG GLN A 55 2.276 16.112 5.260 1.00 45.41 C ATOM 843 CD GLN A 55 1.014 16.729 4.689 1.00 0.44 C ATOM 844 OE1 GLN A 55 0.863 16.847 3.473 1.00 53.45 O ATOM 845 NE2 GLN A 55 0.099 17.125 5.566 1.00 15.15 N ATOM 0 H GLN A 55 2.906 15.299 7.607 1.00 4.22 H new ATOM 0 HA GLN A 55 3.189 12.908 6.239 1.00 41.53 H new ATOM 0 HB2 GLN A 55 2.123 14.183 4.346 1.00 34.42 H new ATOM 0 HB3 GLN A 55 1.283 14.320 5.878 1.00 34.42 H new ATOM 0 HG2 GLN A 55 2.460 16.523 6.253 1.00 45.41 H new ATOM 0 HG3 GLN A 55 3.126 16.390 4.637 1.00 45.41 H new ATOM 0 HE21 GLN A 55 0.266 17.008 6.565 1.00 15.15 H new ATOM 0 HE22 GLN A 55 -0.771 17.546 5.240 1.00 15.15 H new ATOM 854 N ASN A 56 5.228 15.267 5.157 1.00 71.13 N ATOM 855 CA ASN A 56 6.424 15.506 4.359 1.00 11.02 C ATOM 856 C ASN A 56 7.551 14.563 4.773 1.00 51.43 C ATOM 857 O ASN A 56 8.167 13.911 3.931 1.00 43.00 O ATOM 858 CB ASN A 56 6.879 16.959 4.508 1.00 5.54 C ATOM 859 CG ASN A 56 7.501 17.502 3.235 1.00 14.30 C ATOM 860 OD1 ASN A 56 7.034 18.495 2.678 1.00 12.52 O ATOM 861 ND2 ASN A 56 8.560 16.851 2.769 1.00 14.53 N ATOM 0 H ASN A 56 4.897 16.081 5.674 1.00 71.13 H new ATOM 0 HA ASN A 56 6.179 15.314 3.314 1.00 11.02 H new ATOM 0 HB2 ASN A 56 6.026 17.578 4.785 1.00 5.54 H new ATOM 0 HB3 ASN A 56 7.601 17.029 5.321 1.00 5.54 H new ATOM 0 HD21 ASN A 56 9.020 17.170 1.916 1.00 14.53 H new ATOM 0 HD22 ASN A 56 8.913 16.032 3.264 1.00 14.53 H new ATOM 868 N GLU A 57 7.813 14.498 6.074 1.00 33.32 N ATOM 869 CA GLU A 57 8.865 13.636 6.599 1.00 41.24 C ATOM 870 C GLU A 57 8.598 12.176 6.246 1.00 24.33 C ATOM 871 O GLU A 57 9.506 11.445 5.847 1.00 21.41 O ATOM 872 CB GLU A 57 8.975 13.794 8.117 1.00 23.12 C ATOM 873 CG GLU A 57 9.164 15.232 8.567 1.00 42.00 C ATOM 874 CD GLU A 57 8.765 15.448 10.014 1.00 24.42 C ATOM 875 OE1 GLU A 57 8.282 14.485 10.645 1.00 64.34 O ATOM 876 OE2 GLU A 57 8.935 16.578 10.515 1.00 73.12 O ATOM 0 H GLU A 57 7.311 15.032 6.784 1.00 33.32 H new ATOM 0 HA GLU A 57 9.808 13.936 6.141 1.00 41.24 H new ATOM 0 HB2 GLU A 57 8.075 13.392 8.582 1.00 23.12 H new ATOM 0 HB3 GLU A 57 9.813 13.197 8.476 1.00 23.12 H new ATOM 0 HG2 GLU A 57 10.208 15.515 8.436 1.00 42.00 H new ATOM 0 HG3 GLU A 57 8.573 15.889 7.929 1.00 42.00 H new ATOM 883 N PHE A 58 7.346 11.756 6.396 1.00 71.11 N ATOM 884 CA PHE A 58 6.958 10.383 6.095 1.00 70.32 C ATOM 885 C PHE A 58 7.145 10.077 4.612 1.00 54.33 C ATOM 886 O PHE A 58 7.618 9.003 4.243 1.00 51.22 O ATOM 887 CB PHE A 58 5.501 10.142 6.498 1.00 2.24 C ATOM 888 CG PHE A 58 5.173 8.693 6.716 1.00 50.04 C ATOM 889 CD1 PHE A 58 4.760 7.896 5.661 1.00 63.15 C ATOM 890 CD2 PHE A 58 5.275 8.129 7.977 1.00 33.54 C ATOM 891 CE1 PHE A 58 4.456 6.562 5.859 1.00 31.53 C ATOM 892 CE2 PHE A 58 4.973 6.796 8.182 1.00 23.11 C ATOM 893 CZ PHE A 58 4.562 6.011 7.121 1.00 72.43 C ATOM 0 H PHE A 58 6.582 12.347 6.724 1.00 71.11 H new ATOM 0 HA PHE A 58 7.601 9.716 6.669 1.00 70.32 H new ATOM 0 HB2 PHE A 58 5.289 10.696 7.412 1.00 2.24 H new ATOM 0 HB3 PHE A 58 4.847 10.542 5.723 1.00 2.24 H new ATOM 0 HD1 PHE A 58 4.674 8.322 4.672 1.00 63.15 H new ATOM 0 HD2 PHE A 58 5.594 8.738 8.810 1.00 33.54 H new ATOM 0 HE1 PHE A 58 4.136 5.951 5.028 1.00 31.53 H new ATOM 0 HE2 PHE A 58 5.058 6.368 9.170 1.00 23.11 H new ATOM 0 HZ PHE A 58 4.324 4.969 7.279 1.00 72.43 H new ATOM 903 N ALA A 59 6.769 11.031 3.765 1.00 14.41 N ATOM 904 CA ALA A 59 6.896 10.866 2.323 1.00 0.00 C ATOM 905 C ALA A 59 8.351 10.647 1.921 1.00 31.24 C ATOM 906 O ALA A 59 8.673 9.693 1.212 1.00 12.11 O ATOM 907 CB ALA A 59 6.323 12.076 1.600 1.00 12.31 C ATOM 0 H ALA A 59 6.374 11.926 4.054 1.00 14.41 H new ATOM 0 HA ALA A 59 6.329 9.981 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.425 11.939 0.524 1.00 12.31 H new ATOM 0 HB2 ALA A 59 5.269 12.186 1.854 1.00 12.31 H new ATOM 0 HB3 ALA A 59 6.864 12.972 1.904 1.00 12.31 H new ATOM 913 N LYS A 60 9.226 11.536 2.378 1.00 23.12 N ATOM 914 CA LYS A 60 10.647 11.441 2.068 1.00 24.44 C ATOM 915 C LYS A 60 11.263 10.204 2.712 1.00 23.14 C ATOM 916 O LYS A 60 12.276 9.685 2.242 1.00 63.20 O ATOM 917 CB LYS A 60 11.380 12.696 2.545 1.00 54.03 C ATOM 918 CG LYS A 60 10.824 13.984 1.963 1.00 14.00 C ATOM 919 CD LYS A 60 11.493 14.333 0.643 1.00 74.42 C ATOM 920 CE LYS A 60 12.904 14.862 0.857 1.00 61.15 C ATOM 921 NZ LYS A 60 12.913 16.092 1.697 1.00 10.22 N ATOM 0 H LYS A 60 8.975 12.331 2.965 1.00 23.12 H new ATOM 0 HA LYS A 60 10.752 11.356 0.986 1.00 24.44 H new ATOM 0 HB2 LYS A 60 11.327 12.746 3.633 1.00 54.03 H new ATOM 0 HB3 LYS A 60 12.434 12.613 2.281 1.00 54.03 H new ATOM 0 HG2 LYS A 60 9.749 13.882 1.812 1.00 14.00 H new ATOM 0 HG3 LYS A 60 10.970 14.798 2.673 1.00 14.00 H new ATOM 0 HD2 LYS A 60 11.527 13.449 0.006 1.00 74.42 H new ATOM 0 HD3 LYS A 60 10.898 15.081 0.119 1.00 74.42 H new ATOM 0 HE2 LYS A 60 13.512 14.093 1.333 1.00 61.15 H new ATOM 0 HE3 LYS A 60 13.361 15.078 -0.109 1.00 61.15 H new ATOM 0 HZ1 LYS A 60 13.789 16.625 1.523 1.00 10.22 H new ATOM 0 HZ2 LYS A 60 12.093 16.684 1.454 1.00 10.22 H new ATOM 0 HZ3 LYS A 60 12.863 15.827 2.701 1.00 10.22 H new ATOM 935 N PHE A 61 10.645 9.734 3.791 1.00 60.30 N ATOM 936 CA PHE A 61 11.133 8.556 4.500 1.00 11.22 C ATOM 937 C PHE A 61 10.694 7.276 3.795 1.00 3.40 C ATOM 938 O PHE A 61 11.415 6.278 3.790 1.00 32.34 O ATOM 939 CB PHE A 61 10.624 8.557 5.943 1.00 2.12 C ATOM 940 CG PHE A 61 10.569 7.188 6.559 1.00 72.44 C ATOM 941 CD1 PHE A 61 11.710 6.407 6.647 1.00 64.43 C ATOM 942 CD2 PHE A 61 9.375 6.683 7.050 1.00 33.23 C ATOM 943 CE1 PHE A 61 11.661 5.147 7.213 1.00 21.15 C ATOM 944 CE2 PHE A 61 9.321 5.424 7.618 1.00 13.23 C ATOM 945 CZ PHE A 61 10.466 4.655 7.699 1.00 64.24 C ATOM 0 H PHE A 61 9.805 10.151 4.194 1.00 60.30 H new ATOM 0 HA PHE A 61 12.222 8.591 4.506 1.00 11.22 H new ATOM 0 HB2 PHE A 61 11.270 9.193 6.548 1.00 2.12 H new ATOM 0 HB3 PHE A 61 9.628 8.999 5.968 1.00 2.12 H new ATOM 0 HD1 PHE A 61 12.648 6.787 6.269 1.00 64.43 H new ATOM 0 HD2 PHE A 61 8.477 7.280 6.988 1.00 33.23 H new ATOM 0 HE1 PHE A 61 12.557 4.547 7.275 1.00 21.15 H new ATOM 0 HE2 PHE A 61 8.385 5.042 7.998 1.00 13.23 H new ATOM 0 HZ PHE A 61 10.426 3.671 8.142 1.00 64.24 H new