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= -0.0345 X(o=-0.035,f=-0.46) USER MOD Single : A 11 GLN : amide:sc= -0.0538 X(o=-0.054,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0215 X(o=-0.022,f=-0.022) USER MOD Single : A 17 THR OG1 : rot 180:sc=0.000787 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -157:sc=-0.00271 (180deg=-0.518) USER MOD Single : A 24 THR OG1 : rot 70:sc= 0.576 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= -0.0325 X(o=-0.032,f=-0.28) USER MOD Single : A 35 ASN : amide:sc= -0.535 K(o=-0.54,f=-3!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot -105:sc= -0.255 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= -0.0674 (180deg=-0.0674) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 9.251 5.810 -5.094 1.00 11.04 N ATOM 72 CA ASP A 5 8.660 6.939 -5.803 1.00 32.03 C ATOM 73 C ASP A 5 7.516 7.547 -4.998 1.00 13.53 C ATOM 74 O ASP A 5 7.634 8.654 -4.470 1.00 31.33 O ATOM 75 CB ASP A 5 8.154 6.497 -7.177 1.00 44.30 C ATOM 76 CG ASP A 5 9.263 5.944 -8.051 1.00 73.10 C ATOM 77 OD1 ASP A 5 9.235 4.731 -8.349 1.00 14.14 O ATOM 78 OD2 ASP A 5 10.158 6.724 -8.438 1.00 73.32 O ATOM 0 HA ASP A 5 9.431 7.698 -5.935 1.00 32.03 H new ATOM 0 HB2 ASP A 5 7.382 5.738 -7.050 1.00 44.30 H new ATOM 0 HB3 ASP A 5 7.688 7.345 -7.679 1.00 44.30 H new ATOM 83 N HIS A 6 6.408 6.818 -4.909 1.00 11.21 N ATOM 84 CA HIS A 6 5.242 7.287 -4.169 1.00 34.54 C ATOM 85 C HIS A 6 5.572 7.464 -2.690 1.00 3.42 C ATOM 86 O HIS A 6 5.025 8.342 -2.023 1.00 33.53 O ATOM 87 CB HIS A 6 4.081 6.304 -4.329 1.00 41.11 C ATOM 88 CG HIS A 6 2.789 6.805 -3.760 1.00 25.44 C ATOM 89 ND1 HIS A 6 2.221 8.007 -4.125 1.00 63.45 N ATOM 90 CD2 HIS A 6 1.953 6.257 -2.846 1.00 45.54 C ATOM 91 CE1 HIS A 6 1.093 8.178 -3.461 1.00 34.13 C ATOM 92 NE2 HIS A 6 0.907 7.130 -2.678 1.00 51.30 N ATOM 0 H HIS A 6 6.293 5.901 -5.340 1.00 11.21 H new ATOM 0 HA HIS A 6 4.949 8.255 -4.577 1.00 34.54 H new ATOM 0 HB2 HIS A 6 3.942 6.088 -5.388 1.00 41.11 H new ATOM 0 HB3 HIS A 6 4.342 5.364 -3.843 1.00 41.11 H new ATOM 0 HD2 HIS A 6 2.085 5.310 -2.343 1.00 45.54 H new ATOM 0 HE1 HIS A 6 0.434 9.030 -3.544 1.00 34.13 H new ATOM 0 HE2 HIS A 6 0.115 6.992 -2.051 1.00 51.30 H new ATOM 100 N ALA A 7 6.471 6.626 -2.184 1.00 73.42 N ATOM 101 CA ALA A 7 6.875 6.691 -0.785 1.00 52.23 C ATOM 102 C ALA A 7 7.652 7.971 -0.498 1.00 10.41 C ATOM 103 O ALA A 7 7.577 8.521 0.601 1.00 34.12 O ATOM 104 CB ALA A 7 7.708 5.472 -0.419 1.00 2.11 C ATOM 0 H ALA A 7 6.934 5.894 -2.723 1.00 73.42 H new ATOM 0 HA ALA A 7 5.974 6.698 -0.172 1.00 52.23 H new ATOM 0 HB1 ALA A 7 8.003 5.534 0.629 1.00 2.11 H new ATOM 0 HB2 ALA A 7 7.120 4.568 -0.578 1.00 2.11 H new ATOM 0 HB3 ALA A 7 8.599 5.439 -1.045 1.00 2.11 H new ATOM 110 N ARG A 8 8.399 8.441 -1.492 1.00 74.31 N ATOM 111 CA ARG A 8 9.191 9.655 -1.345 1.00 2.53 C ATOM 112 C ARG A 8 8.307 10.896 -1.431 1.00 35.31 C ATOM 113 O ARG A 8 8.403 11.799 -0.600 1.00 2.10 O ATOM 114 CB ARG A 8 10.277 9.715 -2.420 1.00 63.14 C ATOM 115 CG ARG A 8 11.085 11.002 -2.400 1.00 2.23 C ATOM 116 CD ARG A 8 12.574 10.724 -2.260 1.00 34.42 C ATOM 117 NE ARG A 8 13.163 10.255 -3.511 1.00 52.34 N ATOM 118 CZ ARG A 8 14.414 9.821 -3.617 1.00 74.25 C ATOM 119 NH1 ARG A 8 15.202 9.795 -2.552 1.00 64.42 N ATOM 120 NH2 ARG A 8 14.877 9.411 -4.791 1.00 64.31 N ATOM 0 H ARG A 8 8.472 7.999 -2.408 1.00 74.31 H new ATOM 0 HA ARG A 8 9.662 9.633 -0.362 1.00 2.53 H new ATOM 0 HB2 ARG A 8 10.953 8.870 -2.289 1.00 63.14 H new ATOM 0 HB3 ARG A 8 9.813 9.603 -3.400 1.00 63.14 H new ATOM 0 HG2 ARG A 8 10.903 11.561 -3.318 1.00 2.23 H new ATOM 0 HG3 ARG A 8 10.752 11.629 -1.573 1.00 2.23 H new ATOM 0 HD2 ARG A 8 13.084 11.632 -1.937 1.00 34.42 H new ATOM 0 HD3 ARG A 8 12.732 9.977 -1.482 1.00 34.42 H new ATOM 0 HE ARG A 8 12.582 10.261 -4.349 1.00 52.34 H new ATOM 0 HH11 ARG A 8 14.848 10.109 -1.648 1.00 64.42 H new ATOM 0 HH12 ARG A 8 16.162 9.461 -2.636 1.00 64.42 H new ATOM 0 HH21 ARG A 8 14.272 9.429 -5.612 1.00 64.31 H new ATOM 0 HH22 ARG A 8 15.838 9.078 -4.872 1.00 64.31 H new ATOM 134 N PHE A 9 7.445 10.932 -2.442 1.00 11.40 N ATOM 135 CA PHE A 9 6.544 12.062 -2.638 1.00 10.20 C ATOM 136 C PHE A 9 5.661 12.273 -1.412 1.00 31.24 C ATOM 137 O PHE A 9 5.383 13.407 -1.020 1.00 34.01 O ATOM 138 CB PHE A 9 5.673 11.838 -3.876 1.00 15.15 C ATOM 139 CG PHE A 9 5.912 12.841 -4.967 1.00 45.33 C ATOM 140 CD1 PHE A 9 4.888 13.663 -5.409 1.00 0.14 C ATOM 141 CD2 PHE A 9 7.163 12.962 -5.553 1.00 35.12 C ATOM 142 CE1 PHE A 9 5.106 14.588 -6.413 1.00 34.42 C ATOM 143 CE2 PHE A 9 7.386 13.885 -6.557 1.00 61.20 C ATOM 144 CZ PHE A 9 6.356 14.698 -6.988 1.00 61.25 C ATOM 0 H PHE A 9 7.351 10.192 -3.138 1.00 11.40 H new ATOM 0 HA PHE A 9 7.150 12.956 -2.785 1.00 10.20 H new ATOM 0 HB2 PHE A 9 5.860 10.838 -4.266 1.00 15.15 H new ATOM 0 HB3 PHE A 9 4.624 11.875 -3.583 1.00 15.15 H new ATOM 0 HD1 PHE A 9 3.908 13.580 -4.964 1.00 0.14 H new ATOM 0 HD2 PHE A 9 7.972 12.328 -5.221 1.00 35.12 H new ATOM 0 HE1 PHE A 9 4.299 15.224 -6.747 1.00 34.42 H new ATOM 0 HE2 PHE A 9 8.365 13.971 -7.004 1.00 61.20 H new ATOM 0 HZ PHE A 9 6.528 15.419 -7.774 1.00 61.25 H new ATOM 154 N LEU A 10 5.223 11.173 -0.810 1.00 34.52 N ATOM 155 CA LEU A 10 4.370 11.235 0.372 1.00 21.14 C ATOM 156 C LEU A 10 5.142 11.773 1.573 1.00 42.23 C ATOM 157 O LEU A 10 4.672 12.669 2.273 1.00 43.51 O ATOM 158 CB LEU A 10 3.807 9.849 0.693 1.00 5.13 C ATOM 159 CG LEU A 10 2.310 9.786 0.997 1.00 2.52 C ATOM 160 CD1 LEU A 10 1.733 8.448 0.563 1.00 52.44 C ATOM 161 CD2 LEU A 10 2.056 10.023 2.479 1.00 44.02 C ATOM 0 H LEU A 10 5.444 10.227 -1.121 1.00 34.52 H new ATOM 0 HA LEU A 10 3.545 11.915 0.159 1.00 21.14 H new ATOM 0 HB2 LEU A 10 4.014 9.191 -0.151 1.00 5.13 H new ATOM 0 HB3 LEU A 10 4.348 9.449 1.550 1.00 5.13 H new ATOM 0 HG LEU A 10 1.811 10.574 0.433 1.00 2.52 H new ATOM 0 HD11 LEU A 10 0.667 8.422 0.787 1.00 52.44 H new ATOM 0 HD12 LEU A 10 1.882 8.318 -0.509 1.00 52.44 H new ATOM 0 HD13 LEU A 10 2.237 7.644 1.099 1.00 52.44 H new ATOM 0 HD21 LEU A 10 0.985 9.975 2.677 1.00 44.02 H new ATOM 0 HD22 LEU A 10 2.568 9.258 3.063 1.00 44.02 H new ATOM 0 HD23 LEU A 10 2.433 11.006 2.760 1.00 44.02 H new ATOM 173 N GLN A 11 6.329 11.221 1.802 1.00 4.40 N ATOM 174 CA GLN A 11 7.167 11.648 2.917 1.00 71.22 C ATOM 175 C GLN A 11 7.369 13.159 2.899 1.00 42.34 C ATOM 176 O GLN A 11 7.558 13.784 3.943 1.00 43.32 O ATOM 177 CB GLN A 11 8.522 10.939 2.865 1.00 54.33 C ATOM 178 CG GLN A 11 9.133 10.693 4.235 1.00 53.53 C ATOM 179 CD GLN A 11 8.957 9.263 4.704 1.00 64.43 C ATOM 180 OE1 GLN A 11 9.930 8.579 5.027 1.00 53.45 O ATOM 181 NE2 GLN A 11 7.713 8.801 4.744 1.00 21.21 N ATOM 0 H GLN A 11 6.732 10.478 1.231 1.00 4.40 H new ATOM 0 HA GLN A 11 6.660 11.379 3.844 1.00 71.22 H new ATOM 0 HB2 GLN A 11 8.404 9.984 2.352 1.00 54.33 H new ATOM 0 HB3 GLN A 11 9.213 11.537 2.270 1.00 54.33 H new ATOM 0 HG2 GLN A 11 10.196 10.933 4.203 1.00 53.53 H new ATOM 0 HG3 GLN A 11 8.676 11.368 4.959 1.00 53.53 H new ATOM 0 HE21 GLN A 11 6.937 9.402 4.468 1.00 21.21 H new ATOM 0 HE22 GLN A 11 7.534 7.845 5.051 1.00 21.21 H new ATOM 190 N THR A 12 7.329 13.743 1.705 1.00 72.34 N ATOM 191 CA THR A 12 7.509 15.181 1.550 1.00 62.40 C ATOM 192 C THR A 12 6.257 15.940 1.973 1.00 3.41 C ATOM 193 O THR A 12 6.303 16.779 2.872 1.00 2.24 O ATOM 194 CB THR A 12 7.853 15.550 0.095 1.00 40.33 C ATOM 195 OG1 THR A 12 9.192 15.144 -0.211 1.00 12.23 O ATOM 196 CG2 THR A 12 7.708 17.047 -0.132 1.00 54.50 C ATOM 0 H THR A 12 7.173 13.241 0.831 1.00 72.34 H new ATOM 0 HA THR A 12 8.339 15.467 2.195 1.00 62.40 H new ATOM 0 HB THR A 12 7.157 15.029 -0.562 1.00 40.33 H new ATOM 0 HG1 THR A 12 9.402 15.381 -1.139 1.00 12.23 H new ATOM 0 HG21 THR A 12 7.956 17.284 -1.167 1.00 54.50 H new ATOM 0 HG22 THR A 12 6.681 17.348 0.073 1.00 54.50 H new ATOM 0 HG23 THR A 12 8.383 17.583 0.535 1.00 54.50 H new ATOM 204 N ALA A 13 5.140 15.641 1.320 1.00 74.25 N ATOM 205 CA ALA A 13 3.874 16.294 1.631 1.00 43.15 C ATOM 206 C ALA A 13 3.560 16.202 3.120 1.00 44.11 C ATOM 207 O ALA A 13 3.012 17.134 3.708 1.00 3.35 O ATOM 208 CB ALA A 13 2.748 15.679 0.813 1.00 50.42 C ATOM 0 H ALA A 13 5.085 14.950 0.572 1.00 74.25 H new ATOM 0 HA ALA A 13 3.964 17.348 1.370 1.00 43.15 H new ATOM 0 HB1 ALA A 13 1.809 16.176 1.055 1.00 50.42 H new ATOM 0 HB2 ALA A 13 2.960 15.802 -0.249 1.00 50.42 H new ATOM 0 HB3 ALA A 13 2.667 14.617 1.046 1.00 50.42 H new ATOM 214 N LYS A 14 3.911 15.072 3.725 1.00 54.11 N ATOM 215 CA LYS A 14 3.667 14.857 5.146 1.00 2.44 C ATOM 216 C LYS A 14 4.649 15.660 5.994 1.00 52.42 C ATOM 217 O LYS A 14 4.257 16.321 6.955 1.00 42.01 O ATOM 218 CB LYS A 14 3.783 13.370 5.486 1.00 74.44 C ATOM 219 CG LYS A 14 2.554 12.562 5.104 1.00 22.32 C ATOM 220 CD LYS A 14 1.838 12.023 6.331 1.00 21.13 C ATOM 221 CE LYS A 14 0.374 11.730 6.039 1.00 44.41 C ATOM 222 NZ LYS A 14 -0.429 11.617 7.288 1.00 62.43 N ATOM 0 H LYS A 14 4.366 14.291 3.253 1.00 54.11 H new ATOM 0 HA LYS A 14 2.656 15.197 5.370 1.00 2.44 H new ATOM 0 HB2 LYS A 14 4.653 12.956 4.976 1.00 74.44 H new ATOM 0 HB3 LYS A 14 3.960 13.263 6.556 1.00 74.44 H new ATOM 0 HG2 LYS A 14 1.871 13.187 4.528 1.00 22.32 H new ATOM 0 HG3 LYS A 14 2.848 11.733 4.460 1.00 22.32 H new ATOM 0 HD2 LYS A 14 2.332 11.112 6.671 1.00 21.13 H new ATOM 0 HD3 LYS A 14 1.910 12.747 7.143 1.00 21.13 H new ATOM 0 HE2 LYS A 14 -0.037 12.522 5.413 1.00 44.41 H new ATOM 0 HE3 LYS A 14 0.295 10.803 5.472 1.00 44.41 H new ATOM 0 HZ1 LYS A 14 -1.421 11.417 7.046 1.00 62.43 H new ATOM 0 HZ2 LYS A 14 -0.053 10.844 7.874 1.00 62.43 H new ATOM 0 HZ3 LYS A 14 -0.375 12.511 7.817 1.00 62.43 H new ATOM 236 N ASN A 15 5.926 15.600 5.630 1.00 74.53 N ATOM 237 CA ASN A 15 6.963 16.322 6.357 1.00 50.24 C ATOM 238 C ASN A 15 6.685 17.822 6.353 1.00 0.42 C ATOM 239 O ASN A 15 7.169 18.555 7.216 1.00 0.42 O ATOM 240 CB ASN A 15 8.335 16.045 5.739 1.00 40.00 C ATOM 241 CG ASN A 15 9.461 16.704 6.512 1.00 51.52 C ATOM 242 OD1 ASN A 15 9.991 17.736 6.099 1.00 12.22 O ATOM 243 ND2 ASN A 15 9.832 16.110 7.640 1.00 72.43 N ATOM 0 H ASN A 15 6.267 15.059 4.836 1.00 74.53 H new ATOM 0 HA ASN A 15 6.959 15.972 7.389 1.00 50.24 H new ATOM 0 HB2 ASN A 15 8.504 14.969 5.703 1.00 40.00 H new ATOM 0 HB3 ASN A 15 8.346 16.404 4.710 1.00 40.00 H new ATOM 0 HD21 ASN A 15 10.584 16.508 8.202 1.00 72.43 H new ATOM 0 HD22 ASN A 15 9.365 15.256 7.944 1.00 72.43 H new ATOM 250 N ILE A 16 5.903 18.271 5.378 1.00 54.33 N ATOM 251 CA ILE A 16 5.559 19.683 5.263 1.00 11.12 C ATOM 252 C ILE A 16 4.563 20.096 6.341 1.00 35.44 C ATOM 253 O ILE A 16 4.795 21.048 7.086 1.00 11.42 O ATOM 254 CB ILE A 16 4.965 20.008 3.880 1.00 72.42 C ATOM 255 CG1 ILE A 16 6.017 19.805 2.788 1.00 25.32 C ATOM 256 CG2 ILE A 16 4.434 21.433 3.853 1.00 74.14 C ATOM 257 CD1 ILE A 16 5.431 19.434 1.444 1.00 34.33 C ATOM 0 H ILE A 16 5.495 17.677 4.656 1.00 54.33 H new ATOM 0 HA ILE A 16 6.485 20.244 5.392 1.00 11.12 H new ATOM 0 HB ILE A 16 4.135 19.328 3.689 1.00 72.42 H new ATOM 0 HG12 ILE A 16 6.599 20.721 2.681 1.00 25.32 H new ATOM 0 HG13 ILE A 16 6.708 19.023 3.102 1.00 25.32 H new ATOM 0 HG21 ILE A 16 4.017 21.647 2.869 1.00 74.14 H new ATOM 0 HG22 ILE A 16 3.657 21.546 4.609 1.00 74.14 H new ATOM 0 HG23 ILE A 16 5.247 22.128 4.062 1.00 74.14 H new ATOM 0 HD11 ILE A 16 6.235 19.306 0.719 1.00 34.33 H new ATOM 0 HD12 ILE A 16 4.873 18.502 1.535 1.00 34.33 H new ATOM 0 HD13 ILE A 16 4.762 20.226 1.108 1.00 34.33 H new ATOM 269 N THR A 17 3.451 19.370 6.421 1.00 1.41 N ATOM 270 CA THR A 17 2.419 19.660 7.408 1.00 31.35 C ATOM 271 C THR A 17 2.819 19.149 8.788 1.00 71.11 C ATOM 272 O THR A 17 2.289 19.599 9.803 1.00 22.34 O ATOM 273 CB THR A 17 1.070 19.030 7.012 1.00 50.51 C ATOM 274 OG1 THR A 17 0.957 18.972 5.586 1.00 42.04 O ATOM 275 CG2 THR A 17 -0.090 19.831 7.585 1.00 22.10 C ATOM 0 H THR A 17 3.243 18.577 5.814 1.00 1.41 H new ATOM 0 HA THR A 17 2.310 20.744 7.442 1.00 31.35 H new ATOM 0 HB THR A 17 1.031 18.020 7.421 1.00 50.51 H new ATOM 0 HG1 THR A 17 0.098 18.569 5.342 1.00 42.04 H new ATOM 0 HG21 THR A 17 -1.032 19.367 7.292 1.00 22.10 H new ATOM 0 HG22 THR A 17 -0.017 19.850 8.672 1.00 22.10 H new ATOM 0 HG23 THR A 17 -0.053 20.851 7.201 1.00 22.10 H new ATOM 283 N GLU A 18 3.757 18.207 8.816 1.00 1.52 N ATOM 284 CA GLU A 18 4.227 17.636 10.073 1.00 43.23 C ATOM 285 C GLU A 18 5.223 18.569 10.756 1.00 42.23 C ATOM 286 O GLU A 18 5.215 18.716 11.978 1.00 20.40 O ATOM 287 CB GLU A 18 4.875 16.272 9.827 1.00 24.15 C ATOM 288 CG GLU A 18 5.498 15.661 11.072 1.00 41.43 C ATOM 289 CD GLU A 18 5.910 14.216 10.869 1.00 51.22 C ATOM 290 OE1 GLU A 18 6.770 13.732 11.634 1.00 33.14 O ATOM 291 OE2 GLU A 18 5.373 13.570 9.945 1.00 23.21 O ATOM 0 H GLU A 18 4.206 17.824 7.984 1.00 1.52 H new ATOM 0 HA GLU A 18 3.366 17.509 10.730 1.00 43.23 H new ATOM 0 HB2 GLU A 18 4.123 15.588 9.434 1.00 24.15 H new ATOM 0 HB3 GLU A 18 5.643 16.377 9.061 1.00 24.15 H new ATOM 0 HG2 GLU A 18 6.371 16.246 11.362 1.00 41.43 H new ATOM 0 HG3 GLU A 18 4.787 15.720 11.896 1.00 41.43 H new ATOM 298 N ARG A 19 6.080 19.197 9.957 1.00 1.22 N ATOM 299 CA ARG A 19 7.084 20.114 10.484 1.00 55.42 C ATOM 300 C ARG A 19 6.431 21.386 11.019 1.00 73.42 C ATOM 301 O ARG A 19 6.748 21.845 12.116 1.00 63.11 O ATOM 302 CB ARG A 19 8.101 20.469 9.398 1.00 61.00 C ATOM 303 CG ARG A 19 9.363 21.122 9.936 1.00 5.33 C ATOM 304 CD ARG A 19 9.889 22.186 8.985 1.00 2.13 C ATOM 305 NE ARG A 19 11.207 22.673 9.383 1.00 24.22 N ATOM 306 CZ ARG A 19 11.986 23.411 8.600 1.00 55.14 C ATOM 307 NH1 ARG A 19 11.579 23.746 7.383 1.00 45.32 N ATOM 308 NH2 ARG A 19 13.172 23.816 9.033 1.00 5.00 N ATOM 0 H ARG A 19 6.099 19.088 8.943 1.00 1.22 H new ATOM 0 HA ARG A 19 7.599 19.616 11.306 1.00 55.42 H new ATOM 0 HB2 ARG A 19 8.373 19.563 8.857 1.00 61.00 H new ATOM 0 HB3 ARG A 19 7.632 21.141 8.679 1.00 61.00 H new ATOM 0 HG2 ARG A 19 9.156 21.571 10.907 1.00 5.33 H new ATOM 0 HG3 ARG A 19 10.129 20.362 10.093 1.00 5.33 H new ATOM 0 HD2 ARG A 19 9.944 21.776 7.977 1.00 2.13 H new ATOM 0 HD3 ARG A 19 9.189 23.021 8.952 1.00 2.13 H new ATOM 0 HE ARG A 19 11.548 22.433 10.314 1.00 24.22 H new ATOM 0 HH11 ARG A 19 10.667 23.437 7.047 1.00 45.32 H new ATOM 0 HH12 ARG A 19 12.178 24.313 6.783 1.00 45.32 H new ATOM 0 HH21 ARG A 19 13.488 23.561 9.969 1.00 5.00 H new ATOM 0 HH22 ARG A 19 13.769 24.383 8.430 1.00 5.00 H new ATOM 322 N VAL A 20 5.517 21.950 10.236 1.00 73.03 N ATOM 323 CA VAL A 20 4.819 23.168 10.630 1.00 34.44 C ATOM 324 C VAL A 20 4.138 22.997 11.984 1.00 71.32 C ATOM 325 O VAL A 20 4.222 23.870 12.847 1.00 54.30 O ATOM 326 CB VAL A 20 3.763 23.573 9.585 1.00 51.32 C ATOM 327 CG1 VAL A 20 2.808 22.421 9.315 1.00 72.31 C ATOM 328 CG2 VAL A 20 3.004 24.809 10.046 1.00 61.51 C ATOM 0 H VAL A 20 5.243 21.583 9.325 1.00 73.03 H new ATOM 0 HA VAL A 20 5.570 23.955 10.700 1.00 34.44 H new ATOM 0 HB VAL A 20 4.274 23.815 8.653 1.00 51.32 H new ATOM 0 HG11 VAL A 20 2.069 22.727 8.574 1.00 72.31 H new ATOM 0 HG12 VAL A 20 3.368 21.565 8.938 1.00 72.31 H new ATOM 0 HG13 VAL A 20 2.301 22.144 10.240 1.00 72.31 H new ATOM 0 HG21 VAL A 20 2.262 25.081 9.296 1.00 61.51 H new ATOM 0 HG22 VAL A 20 2.504 24.597 10.991 1.00 61.51 H new ATOM 0 HG23 VAL A 20 3.702 25.635 10.182 1.00 61.51 H new ATOM 338 N SER A 21 3.464 21.865 12.162 1.00 21.05 N ATOM 339 CA SER A 21 2.766 21.580 13.410 1.00 15.14 C ATOM 340 C SER A 21 3.730 21.613 14.592 1.00 34.24 C ATOM 341 O SER A 21 3.540 22.374 15.541 1.00 63.23 O ATOM 342 CB SER A 21 2.079 20.215 13.335 1.00 22.11 C ATOM 343 OG SER A 21 2.155 19.537 14.577 1.00 64.41 O ATOM 0 H SER A 21 3.387 21.131 11.458 1.00 21.05 H new ATOM 0 HA SER A 21 2.010 22.351 13.559 1.00 15.14 H new ATOM 0 HB2 SER A 21 1.035 20.345 13.051 1.00 22.11 H new ATOM 0 HB3 SER A 21 2.547 19.611 12.558 1.00 22.11 H new ATOM 0 HG SER A 21 1.707 18.668 14.503 1.00 64.41 H new ATOM 349 N MET A 22 4.764 20.781 14.527 1.00 1.02 N ATOM 350 CA MET A 22 5.759 20.715 15.591 1.00 22.12 C ATOM 351 C MET A 22 6.425 22.072 15.798 1.00 63.44 C ATOM 352 O MET A 22 6.849 22.403 16.904 1.00 1.42 O ATOM 353 CB MET A 22 6.817 19.659 15.265 1.00 71.14 C ATOM 354 CG MET A 22 6.466 18.270 15.772 1.00 33.23 C ATOM 355 SD MET A 22 7.876 17.423 16.511 1.00 50.21 S ATOM 356 CE MET A 22 9.084 17.569 15.197 1.00 63.53 C ATOM 0 H MET A 22 4.935 20.143 13.749 1.00 1.02 H new ATOM 0 HA MET A 22 5.250 20.436 16.513 1.00 22.12 H new ATOM 0 HB2 MET A 22 6.957 19.618 14.185 1.00 71.14 H new ATOM 0 HB3 MET A 22 7.769 19.965 15.698 1.00 71.14 H new ATOM 0 HG2 MET A 22 5.667 18.348 16.509 1.00 33.23 H new ATOM 0 HG3 MET A 22 6.081 17.673 14.946 1.00 33.23 H new ATOM 0 HE1 MET A 22 9.833 16.784 15.302 1.00 63.53 H new ATOM 0 HE2 MET A 22 8.586 17.469 14.232 1.00 63.53 H new ATOM 0 HE3 MET A 22 9.569 18.543 15.255 1.00 63.53 H new ATOM 366 N ALA A 23 6.514 22.851 14.725 1.00 4.41 N ATOM 367 CA ALA A 23 7.127 24.172 14.790 1.00 43.32 C ATOM 368 C ALA A 23 6.265 25.139 15.595 1.00 22.30 C ATOM 369 O ALA A 23 6.763 25.858 16.462 1.00 24.51 O ATOM 370 CB ALA A 23 7.362 24.714 13.388 1.00 43.33 C ATOM 0 H ALA A 23 6.170 22.590 13.801 1.00 4.41 H new ATOM 0 HA ALA A 23 8.087 24.075 15.296 1.00 43.32 H new ATOM 0 HB1 ALA A 23 7.820 25.701 13.452 1.00 43.33 H new ATOM 0 HB2 ALA A 23 8.024 24.041 12.844 1.00 43.33 H new ATOM 0 HB3 ALA A 23 6.410 24.789 12.863 1.00 43.33 H new ATOM 376 N THR A 24 4.968 25.152 15.303 1.00 43.12 N ATOM 377 CA THR A 24 4.037 26.032 15.998 1.00 22.51 C ATOM 378 C THR A 24 3.699 25.490 17.382 1.00 32.03 C ATOM 379 O THR A 24 3.299 26.240 18.272 1.00 53.21 O ATOM 380 CB THR A 24 2.734 26.215 15.198 1.00 33.22 C ATOM 381 OG1 THR A 24 2.955 25.892 13.821 1.00 74.12 O ATOM 382 CG2 THR A 24 2.224 27.644 15.314 1.00 61.50 C ATOM 0 H THR A 24 4.539 24.563 14.590 1.00 43.12 H new ATOM 0 HA THR A 24 4.530 26.999 16.100 1.00 22.51 H new ATOM 0 HB THR A 24 1.982 25.543 15.612 1.00 33.22 H new ATOM 0 HG1 THR A 24 3.097 24.927 13.730 1.00 74.12 H new ATOM 0 HG21 THR A 24 1.303 27.749 14.741 1.00 61.50 H new ATOM 0 HG22 THR A 24 2.029 27.877 16.361 1.00 61.50 H new ATOM 0 HG23 THR A 24 2.975 28.331 14.924 1.00 61.50 H new ATOM 390 N ALA A 25 3.863 24.183 17.557 1.00 34.25 N ATOM 391 CA ALA A 25 3.577 23.542 18.835 1.00 71.51 C ATOM 392 C ALA A 25 4.706 23.778 19.832 1.00 31.43 C ATOM 393 O ALA A 25 4.502 23.706 21.044 1.00 35.01 O ATOM 394 CB ALA A 25 3.348 22.050 18.637 1.00 12.43 C ATOM 0 H ALA A 25 4.192 23.547 16.830 1.00 34.25 H new ATOM 0 HA ALA A 25 2.669 23.987 19.242 1.00 71.51 H new ATOM 0 HB1 ALA A 25 3.136 21.584 19.599 1.00 12.43 H new ATOM 0 HB2 ALA A 25 2.503 21.898 17.965 1.00 12.43 H new ATOM 0 HB3 ALA A 25 4.241 21.599 18.205 1.00 12.43 H new ATOM 400 N SER A 26 5.898 24.059 19.315 1.00 75.42 N ATOM 401 CA SER A 26 7.060 24.301 20.161 1.00 65.35 C ATOM 402 C SER A 26 7.390 25.789 20.219 1.00 55.45 C ATOM 403 O SER A 26 7.919 26.281 21.215 1.00 14.03 O ATOM 404 CB SER A 26 8.268 23.520 19.639 1.00 22.20 C ATOM 405 OG SER A 26 8.982 22.914 20.703 1.00 72.11 O ATOM 0 H SER A 26 6.084 24.125 18.314 1.00 75.42 H new ATOM 0 HA SER A 26 6.822 23.960 21.169 1.00 65.35 H new ATOM 0 HB2 SER A 26 7.935 22.755 18.938 1.00 22.20 H new ATOM 0 HB3 SER A 26 8.928 24.190 19.089 1.00 22.20 H new ATOM 0 HG SER A 26 9.748 22.420 20.343 1.00 72.11 H new ATOM 411 N SER A 27 7.072 26.501 19.142 1.00 42.50 N ATOM 412 CA SER A 27 7.337 27.933 19.067 1.00 1.53 C ATOM 413 C SER A 27 6.559 28.687 20.142 1.00 74.42 C ATOM 414 O SER A 27 7.123 29.493 20.880 1.00 13.34 O ATOM 415 CB SER A 27 6.968 28.470 17.683 1.00 11.42 C ATOM 416 OG SER A 27 6.987 29.887 17.664 1.00 11.30 O ATOM 0 H SER A 27 6.631 26.110 18.310 1.00 42.50 H new ATOM 0 HA SER A 27 8.402 28.089 19.237 1.00 1.53 H new ATOM 0 HB2 SER A 27 7.667 28.084 16.941 1.00 11.42 H new ATOM 0 HB3 SER A 27 5.977 28.113 17.403 1.00 11.42 H new ATOM 0 HG SER A 27 6.749 30.205 16.768 1.00 11.30 H new ATOM 422 N GLN A 28 5.260 28.416 20.221 1.00 13.44 N ATOM 423 CA GLN A 28 4.403 29.069 21.205 1.00 61.25 C ATOM 424 C GLN A 28 3.997 28.094 22.305 1.00 2.10 C ATOM 425 O GLN A 28 4.564 28.104 23.398 1.00 42.13 O ATOM 426 CB GLN A 28 3.156 29.639 20.527 1.00 41.41 C ATOM 427 CG GLN A 28 3.326 31.071 20.046 1.00 44.32 C ATOM 428 CD GLN A 28 2.047 31.878 20.148 1.00 33.42 C ATOM 429 OE1 GLN A 28 1.381 31.879 21.184 1.00 24.03 O ATOM 430 NE2 GLN A 28 1.695 32.569 19.071 1.00 52.43 N ATOM 0 H GLN A 28 4.778 27.750 19.617 1.00 13.44 H new ATOM 0 HA GLN A 28 4.967 29.884 21.657 1.00 61.25 H new ATOM 0 HB2 GLN A 28 2.894 29.008 19.678 1.00 41.41 H new ATOM 0 HB3 GLN A 28 2.321 29.596 21.226 1.00 41.41 H new ATOM 0 HG2 GLN A 28 4.105 31.557 20.633 1.00 44.32 H new ATOM 0 HG3 GLN A 28 3.665 31.064 19.010 1.00 44.32 H new ATOM 0 HE21 GLN A 28 2.277 32.540 18.234 1.00 52.43 H new ATOM 0 HE22 GLN A 28 0.843 33.130 19.081 1.00 52.43 H new ATOM 439 N VAL A 29 3.011 27.253 22.010 1.00 64.34 N ATOM 440 CA VAL A 29 2.530 26.271 22.974 1.00 72.43 C ATOM 441 C VAL A 29 1.364 25.469 22.406 1.00 52.21 C ATOM 442 O VAL A 29 1.191 24.292 22.726 1.00 50.25 O ATOM 443 CB VAL A 29 2.085 26.944 24.286 1.00 62.51 C ATOM 444 CG1 VAL A 29 1.116 28.081 24.001 1.00 4.13 C ATOM 445 CG2 VAL A 29 1.460 25.921 25.223 1.00 12.40 C ATOM 0 H VAL A 29 2.530 27.232 21.111 1.00 64.34 H new ATOM 0 HA VAL A 29 3.362 25.599 23.183 1.00 72.43 H new ATOM 0 HB VAL A 29 2.964 27.363 24.776 1.00 62.51 H new ATOM 0 HG11 VAL A 29 0.813 28.544 24.940 1.00 4.13 H new ATOM 0 HG12 VAL A 29 1.603 28.825 23.370 1.00 4.13 H new ATOM 0 HG13 VAL A 29 0.237 27.690 23.489 1.00 4.13 H new ATOM 0 HG21 VAL A 29 1.151 26.413 26.145 1.00 12.40 H new ATOM 0 HG22 VAL A 29 0.591 25.471 24.743 1.00 12.40 H new ATOM 0 HG23 VAL A 29 2.190 25.145 25.453 1.00 12.40 H new ATOM 455 N LEU A 30 0.566 26.113 21.562 1.00 51.54 N ATOM 456 CA LEU A 30 -0.585 25.461 20.947 1.00 31.34 C ATOM 457 C LEU A 30 -1.654 25.147 21.990 1.00 43.43 C ATOM 458 O LEU A 30 -1.782 24.008 22.438 1.00 21.31 O ATOM 459 CB LEU A 30 -0.151 24.174 20.243 1.00 42.20 C ATOM 460 CG LEU A 30 -1.023 23.724 19.071 1.00 71.52 C ATOM 461 CD1 LEU A 30 -0.314 23.977 17.749 1.00 31.14 C ATOM 462 CD2 LEU A 30 -1.385 22.252 19.210 1.00 12.13 C ATOM 0 H LEU A 30 0.695 27.087 21.288 1.00 51.54 H new ATOM 0 HA LEU A 30 -1.009 26.145 20.212 1.00 31.34 H new ATOM 0 HB2 LEU A 30 0.868 24.307 19.881 1.00 42.20 H new ATOM 0 HB3 LEU A 30 -0.125 23.371 20.980 1.00 42.20 H new ATOM 0 HG LEU A 30 -1.944 24.308 19.084 1.00 71.52 H new ATOM 0 HD11 LEU A 30 -0.950 23.650 16.927 1.00 31.14 H new ATOM 0 HD12 LEU A 30 -0.106 25.042 17.646 1.00 31.14 H new ATOM 0 HD13 LEU A 30 0.623 23.420 17.726 1.00 31.14 H new ATOM 0 HD21 LEU A 30 -2.006 21.949 18.367 1.00 12.13 H new ATOM 0 HD22 LEU A 30 -0.474 21.653 19.224 1.00 12.13 H new ATOM 0 HD23 LEU A 30 -1.934 22.099 20.139 1.00 12.13 H new ATOM 474 N ILE A 31 -2.419 26.165 22.369 1.00 53.01 N ATOM 475 CA ILE A 31 -3.479 25.997 23.356 1.00 61.14 C ATOM 476 C ILE A 31 -4.598 27.009 23.138 1.00 53.31 C ATOM 477 O ILE A 31 -4.393 28.089 22.584 1.00 52.43 O ATOM 478 CB ILE A 31 -2.940 26.145 24.791 1.00 73.31 C ATOM 479 CG1 ILE A 31 -2.134 27.438 24.926 1.00 62.13 C ATOM 480 CG2 ILE A 31 -2.088 24.941 25.163 1.00 23.02 C ATOM 481 CD1 ILE A 31 -2.653 28.365 26.002 1.00 34.33 C ATOM 0 H ILE A 31 -2.325 27.114 22.008 1.00 53.01 H new ATOM 0 HA ILE A 31 -3.874 24.989 23.227 1.00 61.14 H new ATOM 0 HB ILE A 31 -3.785 26.193 25.478 1.00 73.31 H new ATOM 0 HG12 ILE A 31 -1.096 27.188 25.143 1.00 62.13 H new ATOM 0 HG13 ILE A 31 -2.142 27.963 23.971 1.00 62.13 H new ATOM 0 HG21 ILE A 31 -1.714 25.060 26.180 1.00 23.02 H new ATOM 0 HG22 ILE A 31 -2.692 24.035 25.102 1.00 23.02 H new ATOM 0 HG23 ILE A 31 -1.247 24.864 24.474 1.00 23.02 H new ATOM 0 HD11 ILE A 31 -2.033 29.261 26.041 1.00 34.33 H new ATOM 0 HD12 ILE A 31 -3.682 28.645 25.776 1.00 34.33 H new ATOM 0 HD13 ILE A 31 -2.619 27.858 26.966 1.00 34.33 H new ATOM 493 N PRO A 32 -5.812 26.655 23.586 1.00 60.23 N ATOM 494 CA PRO A 32 -6.988 27.520 23.453 1.00 32.44 C ATOM 495 C PRO A 32 -6.908 28.749 24.352 1.00 20.10 C ATOM 496 O PRO A 32 -7.286 28.699 25.522 1.00 62.30 O ATOM 497 CB PRO A 32 -8.144 26.615 23.887 1.00 33.21 C ATOM 498 CG PRO A 32 -7.518 25.606 24.787 1.00 75.43 C ATOM 499 CD PRO A 32 -6.129 25.383 24.256 1.00 33.40 C ATOM 0 HA PRO A 32 -7.092 27.914 22.442 1.00 32.44 H new ATOM 0 HB2 PRO A 32 -8.917 27.182 24.405 1.00 33.21 H new ATOM 0 HB3 PRO A 32 -8.618 26.140 23.029 1.00 33.21 H new ATOM 0 HG2 PRO A 32 -7.490 25.965 25.816 1.00 75.43 H new ATOM 0 HG3 PRO A 32 -8.089 24.677 24.789 1.00 75.43 H new ATOM 0 HD2 PRO A 32 -5.423 25.164 25.057 1.00 33.40 H new ATOM 0 HD3 PRO A 32 -6.094 24.543 23.562 1.00 33.40 H new ATOM 507 N GLU A 33 -6.414 29.851 23.797 1.00 40.13 N ATOM 508 CA GLU A 33 -6.284 31.093 24.550 1.00 75.03 C ATOM 509 C GLU A 33 -7.431 32.047 24.227 1.00 1.01 C ATOM 510 O GLU A 33 -8.352 32.220 25.026 1.00 4.33 O ATOM 511 CB GLU A 33 -4.945 31.765 24.241 1.00 0.23 C ATOM 512 CG GLU A 33 -3.952 31.699 25.389 1.00 20.35 C ATOM 513 CD GLU A 33 -3.293 33.035 25.669 1.00 44.44 C ATOM 514 OE1 GLU A 33 -3.025 33.328 26.853 1.00 42.22 O ATOM 515 OE2 GLU A 33 -3.045 33.788 24.704 1.00 41.41 O ATOM 0 H GLU A 33 -6.097 29.909 22.829 1.00 40.13 H new ATOM 0 HA GLU A 33 -6.324 30.850 25.612 1.00 75.03 H new ATOM 0 HB2 GLU A 33 -4.505 31.292 23.363 1.00 0.23 H new ATOM 0 HB3 GLU A 33 -5.123 32.809 23.985 1.00 0.23 H new ATOM 0 HG2 GLU A 33 -4.464 31.355 26.288 1.00 20.35 H new ATOM 0 HG3 GLU A 33 -3.184 30.961 25.158 1.00 20.35 H new ATOM 522 N ILE A 34 -7.367 32.663 23.052 1.00 40.14 N ATOM 523 CA ILE A 34 -8.399 33.599 22.623 1.00 71.21 C ATOM 524 C ILE A 34 -8.543 33.601 21.105 1.00 71.12 C ATOM 525 O ILE A 34 -9.649 33.496 20.576 1.00 63.50 O ATOM 526 CB ILE A 34 -8.094 35.031 23.100 1.00 32.14 C ATOM 527 CG1 ILE A 34 -7.984 35.071 24.626 1.00 32.40 C ATOM 528 CG2 ILE A 34 -9.171 35.991 22.616 1.00 5.04 C ATOM 529 CD1 ILE A 34 -7.704 36.452 25.176 1.00 62.41 C ATOM 0 H ILE A 34 -6.611 32.531 22.380 1.00 40.14 H new ATOM 0 HA ILE A 34 -9.334 33.266 23.074 1.00 71.21 H new ATOM 0 HB ILE A 34 -7.139 35.344 22.677 1.00 32.14 H new ATOM 0 HG12 ILE A 34 -8.912 34.698 25.059 1.00 32.40 H new ATOM 0 HG13 ILE A 34 -7.190 34.395 24.943 1.00 32.40 H new ATOM 0 HG21 ILE A 34 -8.942 36.999 22.961 1.00 5.04 H new ATOM 0 HG22 ILE A 34 -9.206 35.979 21.527 1.00 5.04 H new ATOM 0 HG23 ILE A 34 -10.138 35.683 23.013 1.00 5.04 H new ATOM 0 HD11 ILE A 34 -7.639 36.404 26.263 1.00 62.41 H new ATOM 0 HD12 ILE A 34 -6.761 36.820 24.772 1.00 62.41 H new ATOM 0 HD13 ILE A 34 -8.510 37.128 24.890 1.00 62.41 H new ATOM 541 N ASN A 35 -7.417 33.720 20.409 1.00 3.03 N ATOM 542 CA ASN A 35 -7.417 33.734 18.951 1.00 41.40 C ATOM 543 C ASN A 35 -6.213 32.977 18.399 1.00 20.13 C ATOM 544 O ASN A 35 -5.446 33.509 17.596 1.00 64.10 O ATOM 545 CB ASN A 35 -7.408 35.175 18.434 1.00 22.44 C ATOM 546 CG ASN A 35 -7.762 35.263 16.962 1.00 4.14 C ATOM 547 OD1 ASN A 35 -7.533 34.324 16.200 1.00 45.00 O ATOM 548 ND2 ASN A 35 -8.323 36.396 16.556 1.00 22.10 N ATOM 0 H ASN A 35 -6.493 33.808 20.831 1.00 3.03 H new ATOM 0 HA ASN A 35 -8.324 33.237 18.608 1.00 41.40 H new ATOM 0 HB2 ASN A 35 -8.116 35.770 19.011 1.00 22.44 H new ATOM 0 HB3 ASN A 35 -6.421 35.610 18.594 1.00 22.44 H new ATOM 0 HD21 ASN A 35 -8.583 36.514 15.577 1.00 22.10 H new ATOM 0 HD22 ASN A 35 -8.494 37.148 17.223 1.00 22.10 H new ATOM 555 N LEU A 36 -6.054 31.732 18.835 1.00 1.12 N ATOM 556 CA LEU A 36 -4.944 30.900 18.385 1.00 64.21 C ATOM 557 C LEU A 36 -5.418 29.857 17.377 1.00 11.55 C ATOM 558 O LEU A 36 -4.615 29.266 16.657 1.00 34.43 O ATOM 559 CB LEU A 36 -4.282 30.208 19.578 1.00 12.33 C ATOM 560 CG LEU A 36 -3.386 29.014 19.250 1.00 72.43 C ATOM 561 CD1 LEU A 36 -2.231 28.926 20.235 1.00 60.21 C ATOM 562 CD2 LEU A 36 -4.194 27.724 19.255 1.00 24.25 C ATOM 0 H LEU A 36 -6.680 31.277 19.500 1.00 1.12 H new ATOM 0 HA LEU A 36 -4.214 31.546 17.896 1.00 64.21 H new ATOM 0 HB2 LEU A 36 -3.687 30.946 20.116 1.00 12.33 H new ATOM 0 HB3 LEU A 36 -5.065 29.873 20.258 1.00 12.33 H new ATOM 0 HG LEU A 36 -2.974 29.157 18.251 1.00 72.43 H new ATOM 0 HD11 LEU A 36 -1.604 28.070 19.985 1.00 60.21 H new ATOM 0 HD12 LEU A 36 -1.637 29.838 20.182 1.00 60.21 H new ATOM 0 HD13 LEU A 36 -2.623 28.807 21.245 1.00 60.21 H new ATOM 0 HD21 LEU A 36 -3.540 26.884 19.020 1.00 24.25 H new ATOM 0 HD22 LEU A 36 -4.635 27.575 20.240 1.00 24.25 H new ATOM 0 HD23 LEU A 36 -4.986 27.788 18.509 1.00 24.25 H new ATOM 574 N ASN A 37 -6.729 29.640 17.332 1.00 65.14 N ATOM 575 CA ASN A 37 -7.310 28.670 16.411 1.00 55.11 C ATOM 576 C ASN A 37 -7.303 29.204 14.982 1.00 51.31 C ATOM 577 O ASN A 37 -6.851 28.528 14.058 1.00 73.03 O ATOM 578 CB ASN A 37 -8.741 28.330 16.833 1.00 53.02 C ATOM 579 CG ASN A 37 -9.376 27.286 15.935 1.00 72.12 C ATOM 580 OD1 ASN A 37 -10.270 27.591 15.145 1.00 43.02 O ATOM 581 ND2 ASN A 37 -8.916 26.046 16.053 1.00 73.33 N ATOM 0 H ASN A 37 -7.408 30.122 17.922 1.00 65.14 H new ATOM 0 HA ASN A 37 -6.703 27.765 16.445 1.00 55.11 H new ATOM 0 HB2 ASN A 37 -8.737 27.967 17.861 1.00 53.02 H new ATOM 0 HB3 ASN A 37 -9.347 29.236 16.817 1.00 53.02 H new ATOM 0 HD21 ASN A 37 -9.305 25.301 15.475 1.00 73.33 H new ATOM 0 HD22 ASN A 37 -8.174 25.839 16.721 1.00 73.33 H new ATOM 588 N ASP A 38 -7.806 30.422 14.809 1.00 61.32 N ATOM 589 CA ASP A 38 -7.856 31.048 13.493 1.00 40.21 C ATOM 590 C ASP A 38 -6.457 31.177 12.899 1.00 61.34 C ATOM 591 O ASP A 38 -6.213 30.770 11.762 1.00 71.10 O ATOM 592 CB ASP A 38 -8.513 32.426 13.585 1.00 2.43 C ATOM 593 CG ASP A 38 -9.749 32.538 12.715 1.00 51.10 C ATOM 594 OD1 ASP A 38 -9.827 33.494 11.914 1.00 33.35 O ATOM 595 OD2 ASP A 38 -10.638 31.669 12.834 1.00 51.44 O ATOM 0 H ASP A 38 -8.185 30.995 15.563 1.00 61.32 H new ATOM 0 HA ASP A 38 -8.452 30.413 12.838 1.00 40.21 H new ATOM 0 HB2 ASP A 38 -8.783 32.628 14.622 1.00 2.43 H new ATOM 0 HB3 ASP A 38 -7.793 33.189 13.288 1.00 2.43 H new ATOM 600 N THR A 39 -5.540 31.746 13.674 1.00 2.34 N ATOM 601 CA THR A 39 -4.166 31.931 13.225 1.00 61.25 C ATOM 602 C THR A 39 -3.534 30.601 12.829 1.00 43.33 C ATOM 603 O THR A 39 -3.025 30.451 11.718 1.00 72.44 O ATOM 604 CB THR A 39 -3.302 32.593 14.315 1.00 61.35 C ATOM 605 OG1 THR A 39 -4.088 32.826 15.488 1.00 12.42 O ATOM 606 CG2 THR A 39 -2.719 33.907 13.819 1.00 43.34 C ATOM 0 H THR A 39 -5.724 32.087 14.617 1.00 2.34 H new ATOM 0 HA THR A 39 -4.203 32.586 12.355 1.00 61.25 H new ATOM 0 HB THR A 39 -2.481 31.918 14.557 1.00 61.35 H new ATOM 0 HG1 THR A 39 -4.295 33.781 15.559 1.00 12.42 H new ATOM 0 HG21 THR A 39 -2.113 34.356 14.606 1.00 43.34 H new ATOM 0 HG22 THR A 39 -2.097 33.722 12.943 1.00 43.34 H new ATOM 0 HG23 THR A 39 -3.528 34.586 13.552 1.00 43.34 H new ATOM 614 N PHE A 40 -3.569 29.639 13.744 1.00 33.32 N ATOM 615 CA PHE A 40 -2.999 28.321 13.490 1.00 32.23 C ATOM 616 C PHE A 40 -3.668 27.662 12.287 1.00 25.43 C ATOM 617 O PHE A 40 -3.007 27.016 11.473 1.00 32.34 O ATOM 618 CB PHE A 40 -3.152 27.429 14.725 1.00 43.44 C ATOM 619 CG PHE A 40 -2.324 26.177 14.665 1.00 14.15 C ATOM 620 CD1 PHE A 40 -1.004 26.222 14.248 1.00 11.30 C ATOM 621 CD2 PHE A 40 -2.867 24.955 15.027 1.00 74.30 C ATOM 622 CE1 PHE A 40 -0.240 25.072 14.193 1.00 62.22 C ATOM 623 CE2 PHE A 40 -2.108 23.801 14.974 1.00 10.13 C ATOM 624 CZ PHE A 40 -0.793 23.860 14.556 1.00 71.55 C ATOM 0 H PHE A 40 -3.986 29.747 14.669 1.00 33.32 H new ATOM 0 HA PHE A 40 -1.939 28.447 13.270 1.00 32.23 H new ATOM 0 HB2 PHE A 40 -2.872 27.998 15.612 1.00 43.44 H new ATOM 0 HB3 PHE A 40 -4.201 27.156 14.839 1.00 43.44 H new ATOM 0 HD1 PHE A 40 -0.567 27.167 13.962 1.00 11.30 H new ATOM 0 HD2 PHE A 40 -3.895 24.903 15.354 1.00 74.30 H new ATOM 0 HE1 PHE A 40 0.788 25.121 13.867 1.00 62.22 H new ATOM 0 HE2 PHE A 40 -2.543 22.854 15.259 1.00 10.13 H new ATOM 0 HZ PHE A 40 -0.198 22.960 14.513 1.00 71.55 H new ATOM 634 N ASP A 41 -4.981 27.829 12.183 1.00 51.23 N ATOM 635 CA ASP A 41 -5.740 27.252 11.080 1.00 72.44 C ATOM 636 C ASP A 41 -5.203 27.738 9.737 1.00 21.51 C ATOM 637 O ASP A 41 -4.764 26.941 8.906 1.00 12.41 O ATOM 638 CB ASP A 41 -7.222 27.609 11.210 1.00 63.14 C ATOM 639 CG ASP A 41 -8.028 26.505 11.866 1.00 41.41 C ATOM 640 OD1 ASP A 41 -7.678 26.107 12.997 1.00 14.20 O ATOM 641 OD2 ASP A 41 -9.009 26.041 11.249 1.00 61.31 O ATOM 0 H ASP A 41 -5.542 28.359 12.849 1.00 51.23 H new ATOM 0 HA ASP A 41 -5.630 26.168 11.124 1.00 72.44 H new ATOM 0 HB2 ASP A 41 -7.322 28.524 11.794 1.00 63.14 H new ATOM 0 HB3 ASP A 41 -7.631 27.815 10.221 1.00 63.14 H new ATOM 646 N THR A 42 -5.241 29.050 9.530 1.00 10.31 N ATOM 647 CA THR A 42 -4.760 29.642 8.288 1.00 15.42 C ATOM 648 C THR A 42 -3.305 29.271 8.029 1.00 60.21 C ATOM 649 O THR A 42 -2.851 29.261 6.885 1.00 44.23 O ATOM 650 CB THR A 42 -4.890 31.177 8.310 1.00 14.24 C ATOM 651 OG1 THR A 42 -5.216 31.660 7.002 1.00 2.33 O ATOM 652 CG2 THR A 42 -3.598 31.823 8.788 1.00 35.32 C ATOM 0 H THR A 42 -5.600 29.723 10.207 1.00 10.31 H new ATOM 0 HA THR A 42 -5.382 29.243 7.487 1.00 15.42 H new ATOM 0 HB THR A 42 -5.688 31.442 9.004 1.00 14.24 H new ATOM 0 HG1 THR A 42 -5.298 32.636 7.025 1.00 2.33 H new ATOM 0 HG21 THR A 42 -3.714 32.907 8.795 1.00 35.32 H new ATOM 0 HG22 THR A 42 -3.369 31.476 9.796 1.00 35.32 H new ATOM 0 HG23 THR A 42 -2.784 31.550 8.116 1.00 35.32 H new ATOM 660 N PHE A 43 -2.578 28.964 9.098 1.00 1.42 N ATOM 661 CA PHE A 43 -1.173 28.592 8.986 1.00 65.21 C ATOM 662 C PHE A 43 -1.028 27.167 8.460 1.00 61.22 C ATOM 663 O PHE A 43 -0.295 26.918 7.503 1.00 4.43 O ATOM 664 CB PHE A 43 -0.479 28.719 10.344 1.00 32.10 C ATOM 665 CG PHE A 43 1.020 28.736 10.253 1.00 51.25 C ATOM 666 CD1 PHE A 43 1.789 27.982 11.124 1.00 41.20 C ATOM 667 CD2 PHE A 43 1.660 29.507 9.295 1.00 32.13 C ATOM 668 CE1 PHE A 43 3.169 27.996 11.042 1.00 31.43 C ATOM 669 CE2 PHE A 43 3.039 29.524 9.208 1.00 20.15 C ATOM 670 CZ PHE A 43 3.795 28.768 10.084 1.00 55.42 C ATOM 0 H PHE A 43 -2.939 28.966 10.052 1.00 1.42 H new ATOM 0 HA PHE A 43 -0.699 29.272 8.279 1.00 65.21 H new ATOM 0 HB2 PHE A 43 -0.816 29.634 10.831 1.00 32.10 H new ATOM 0 HB3 PHE A 43 -0.787 27.888 10.979 1.00 32.10 H new ATOM 0 HD1 PHE A 43 1.305 27.376 11.876 1.00 41.20 H new ATOM 0 HD2 PHE A 43 1.074 30.101 8.609 1.00 32.13 H new ATOM 0 HE1 PHE A 43 3.757 27.403 11.727 1.00 31.43 H new ATOM 0 HE2 PHE A 43 3.526 30.128 8.456 1.00 20.15 H new ATOM 0 HZ PHE A 43 4.873 28.781 10.019 1.00 55.42 H new ATOM 680 N ALA A 44 -1.733 26.235 9.093 1.00 64.54 N ATOM 681 CA ALA A 44 -1.685 24.835 8.688 1.00 24.14 C ATOM 682 C ALA A 44 -2.342 24.634 7.327 1.00 34.34 C ATOM 683 O ALA A 44 -1.788 23.970 6.450 1.00 3.22 O ATOM 684 CB ALA A 44 -2.356 23.960 9.736 1.00 33.40 C ATOM 0 H ALA A 44 -2.344 26.424 9.888 1.00 64.54 H new ATOM 0 HA ALA A 44 -0.639 24.542 8.602 1.00 24.14 H new ATOM 0 HB1 ALA A 44 -2.313 22.917 9.421 1.00 33.40 H new ATOM 0 HB2 ALA A 44 -1.839 24.073 10.689 1.00 33.40 H new ATOM 0 HB3 ALA A 44 -3.397 24.262 9.850 1.00 33.40 H new ATOM 690 N LEU A 45 -3.528 25.209 7.158 1.00 45.24 N ATOM 691 CA LEU A 45 -4.262 25.093 5.903 1.00 60.54 C ATOM 692 C LEU A 45 -3.354 25.381 4.711 1.00 10.24 C ATOM 693 O LEU A 45 -3.161 24.529 3.844 1.00 31.13 O ATOM 694 CB LEU A 45 -5.453 26.052 5.895 1.00 52.12 C ATOM 695 CG LEU A 45 -5.905 26.550 4.521 1.00 32.25 C ATOM 696 CD1 LEU A 45 -6.200 25.377 3.599 1.00 2.11 C ATOM 697 CD2 LEU A 45 -7.128 27.446 4.655 1.00 61.01 C ATOM 0 H LEU A 45 -4.001 25.760 7.874 1.00 45.24 H new ATOM 0 HA LEU A 45 -4.627 24.069 5.818 1.00 60.54 H new ATOM 0 HB2 LEU A 45 -6.297 25.556 6.375 1.00 52.12 H new ATOM 0 HB3 LEU A 45 -5.201 26.917 6.508 1.00 52.12 H new ATOM 0 HG LEU A 45 -5.096 27.135 4.083 1.00 32.25 H new ATOM 0 HD11 LEU A 45 -6.520 25.750 2.626 1.00 2.11 H new ATOM 0 HD12 LEU A 45 -5.300 24.774 3.478 1.00 2.11 H new ATOM 0 HD13 LEU A 45 -6.992 24.765 4.031 1.00 2.11 H new ATOM 0 HD21 LEU A 45 -7.436 27.791 3.668 1.00 61.01 H new ATOM 0 HD22 LEU A 45 -7.942 26.884 5.113 1.00 61.01 H new ATOM 0 HD23 LEU A 45 -6.883 28.305 5.280 1.00 61.01 H new ATOM 709 N ASP A 46 -2.798 26.587 4.677 1.00 3.00 N ATOM 710 CA ASP A 46 -1.907 26.987 3.594 1.00 2.41 C ATOM 711 C ASP A 46 -0.826 25.936 3.363 1.00 71.14 C ATOM 712 O ASP A 46 -0.609 25.491 2.235 1.00 13.21 O ATOM 713 CB ASP A 46 -1.262 28.338 3.908 1.00 14.43 C ATOM 714 CG ASP A 46 -1.191 29.242 2.693 1.00 2.32 C ATOM 715 OD1 ASP A 46 -2.187 29.943 2.415 1.00 4.22 O ATOM 716 OD2 ASP A 46 -0.139 29.249 2.021 1.00 42.52 O ATOM 0 H ASP A 46 -2.948 27.304 5.386 1.00 3.00 H new ATOM 0 HA ASP A 46 -2.500 27.079 2.684 1.00 2.41 H new ATOM 0 HB2 ASP A 46 -1.831 28.835 4.694 1.00 14.43 H new ATOM 0 HB3 ASP A 46 -0.256 28.176 4.296 1.00 14.43 H new ATOM 721 N PHE A 47 -0.150 25.543 4.437 1.00 1.31 N ATOM 722 CA PHE A 47 0.910 24.546 4.351 1.00 61.51 C ATOM 723 C PHE A 47 0.389 23.251 3.734 1.00 64.22 C ATOM 724 O PHE A 47 1.105 22.568 3.000 1.00 11.54 O ATOM 725 CB PHE A 47 1.490 24.265 5.739 1.00 53.20 C ATOM 726 CG PHE A 47 2.831 24.902 5.968 1.00 33.44 C ATOM 727 CD1 PHE A 47 3.907 24.594 5.152 1.00 41.00 C ATOM 728 CD2 PHE A 47 3.015 25.807 7.001 1.00 51.12 C ATOM 729 CE1 PHE A 47 5.142 25.178 5.360 1.00 4.21 C ATOM 730 CE2 PHE A 47 4.248 26.395 7.213 1.00 33.35 C ATOM 731 CZ PHE A 47 5.313 26.079 6.393 1.00 70.00 C ATOM 0 H PHE A 47 -0.318 25.900 5.378 1.00 1.31 H new ATOM 0 HA PHE A 47 1.697 24.943 3.710 1.00 61.51 H new ATOM 0 HB2 PHE A 47 0.792 24.624 6.495 1.00 53.20 H new ATOM 0 HB3 PHE A 47 1.581 23.187 5.875 1.00 53.20 H new ATOM 0 HD1 PHE A 47 3.779 23.889 4.344 1.00 41.00 H new ATOM 0 HD2 PHE A 47 2.186 26.056 7.647 1.00 51.12 H new ATOM 0 HE1 PHE A 47 5.973 24.930 4.716 1.00 4.21 H new ATOM 0 HE2 PHE A 47 4.378 27.101 8.020 1.00 33.35 H new ATOM 0 HZ PHE A 47 6.278 26.535 6.559 1.00 70.00 H new ATOM 741 N SER A 48 -0.861 22.919 4.037 1.00 34.21 N ATOM 742 CA SER A 48 -1.478 21.704 3.517 1.00 65.05 C ATOM 743 C SER A 48 -1.955 21.909 2.082 1.00 32.11 C ATOM 744 O SER A 48 -2.084 20.953 1.317 1.00 50.33 O ATOM 745 CB SER A 48 -2.652 21.283 4.402 1.00 60.21 C ATOM 746 OG SER A 48 -3.167 20.025 4.001 1.00 30.24 O ATOM 0 H SER A 48 -1.467 23.474 4.640 1.00 34.21 H new ATOM 0 HA SER A 48 -0.727 20.914 3.523 1.00 65.05 H new ATOM 0 HB2 SER A 48 -2.328 21.232 5.442 1.00 60.21 H new ATOM 0 HB3 SER A 48 -3.439 22.035 4.350 1.00 60.21 H new ATOM 0 HG SER A 48 -3.916 19.777 4.583 1.00 30.24 H new ATOM 752 N ARG A 49 -2.216 23.162 1.725 1.00 13.25 N ATOM 753 CA ARG A 49 -2.681 23.494 0.384 1.00 61.21 C ATOM 754 C ARG A 49 -1.691 23.007 -0.670 1.00 61.11 C ATOM 755 O ARG A 49 -2.078 22.378 -1.654 1.00 63.52 O ATOM 756 CB ARG A 49 -2.883 25.004 0.250 1.00 51.30 C ATOM 757 CG ARG A 49 -4.038 25.386 -0.662 1.00 21.33 C ATOM 758 CD ARG A 49 -3.661 25.243 -2.128 1.00 22.41 C ATOM 759 NE ARG A 49 -4.022 26.426 -2.904 1.00 60.20 N ATOM 760 CZ ARG A 49 -3.382 27.587 -2.815 1.00 34.42 C ATOM 761 NH1 ARG A 49 -2.354 27.719 -1.988 1.00 54.10 N ATOM 762 NH2 ARG A 49 -3.771 28.618 -3.554 1.00 64.11 N ATOM 0 H ARG A 49 -2.113 23.964 2.346 1.00 13.25 H new ATOM 0 HA ARG A 49 -3.635 22.991 0.222 1.00 61.21 H new ATOM 0 HB2 ARG A 49 -3.057 25.428 1.239 1.00 51.30 H new ATOM 0 HB3 ARG A 49 -1.966 25.452 -0.132 1.00 51.30 H new ATOM 0 HG2 ARG A 49 -4.900 24.755 -0.444 1.00 21.33 H new ATOM 0 HG3 ARG A 49 -4.337 26.415 -0.461 1.00 21.33 H new ATOM 0 HD2 ARG A 49 -2.588 25.069 -2.211 1.00 22.41 H new ATOM 0 HD3 ARG A 49 -4.159 24.369 -2.547 1.00 22.41 H new ATOM 0 HE ARG A 49 -4.809 26.357 -3.550 1.00 60.20 H new ATOM 0 HH11 ARG A 49 -2.053 26.928 -1.418 1.00 54.10 H new ATOM 0 HH12 ARG A 49 -1.864 28.611 -1.921 1.00 54.10 H new ATOM 0 HH21 ARG A 49 -4.562 28.520 -4.191 1.00 64.11 H new ATOM 0 HH22 ARG A 49 -3.279 29.509 -3.485 1.00 64.11 H new ATOM 776 N GLU A 50 -0.413 23.304 -0.456 1.00 62.52 N ATOM 777 CA GLU A 50 0.632 22.897 -1.389 1.00 34.21 C ATOM 778 C GLU A 50 0.984 21.424 -1.203 1.00 30.24 C ATOM 779 O GLU A 50 1.340 20.733 -2.157 1.00 63.05 O ATOM 780 CB GLU A 50 1.881 23.759 -1.198 1.00 51.51 C ATOM 781 CG GLU A 50 2.300 24.510 -2.451 1.00 73.33 C ATOM 782 CD GLU A 50 2.650 23.581 -3.598 1.00 13.03 C ATOM 783 OE1 GLU A 50 3.516 22.702 -3.405 1.00 35.21 O ATOM 784 OE2 GLU A 50 2.059 23.733 -4.687 1.00 53.30 O ATOM 0 H GLU A 50 -0.076 23.824 0.354 1.00 62.52 H new ATOM 0 HA GLU A 50 0.254 23.037 -2.402 1.00 34.21 H new ATOM 0 HB2 GLU A 50 1.698 24.477 -0.399 1.00 51.51 H new ATOM 0 HB3 GLU A 50 2.705 23.123 -0.873 1.00 51.51 H new ATOM 0 HG2 GLU A 50 1.492 25.174 -2.759 1.00 73.33 H new ATOM 0 HG3 GLU A 50 3.160 25.139 -2.222 1.00 73.33 H new ATOM 791 N LYS A 51 0.882 20.949 0.034 1.00 4.22 N ATOM 792 CA LYS A 51 1.189 19.559 0.348 1.00 20.33 C ATOM 793 C LYS A 51 0.250 18.613 -0.395 1.00 4.43 C ATOM 794 O LYS A 51 0.612 17.477 -0.701 1.00 52.14 O ATOM 795 CB LYS A 51 1.082 19.320 1.856 1.00 24.51 C ATOM 796 CG LYS A 51 -0.234 18.693 2.281 1.00 73.21 C ATOM 797 CD LYS A 51 -0.175 17.176 2.221 1.00 61.44 C ATOM 798 CE LYS A 51 -1.518 16.581 1.826 1.00 63.54 C ATOM 799 NZ LYS A 51 -1.396 15.150 1.432 1.00 61.52 N ATOM 0 H LYS A 51 0.589 21.507 0.836 1.00 4.22 H new ATOM 0 HA LYS A 51 2.210 19.357 0.025 1.00 20.33 H new ATOM 0 HB2 LYS A 51 1.901 18.674 2.172 1.00 24.51 H new ATOM 0 HB3 LYS A 51 1.207 20.270 2.376 1.00 24.51 H new ATOM 0 HG2 LYS A 51 -0.477 19.009 3.296 1.00 73.21 H new ATOM 0 HG3 LYS A 51 -1.035 19.053 1.635 1.00 73.21 H new ATOM 0 HD2 LYS A 51 0.586 16.869 1.503 1.00 61.44 H new ATOM 0 HD3 LYS A 51 0.126 16.784 3.192 1.00 61.44 H new ATOM 0 HE2 LYS A 51 -2.214 16.670 2.660 1.00 63.54 H new ATOM 0 HE3 LYS A 51 -1.938 17.151 0.998 1.00 63.54 H new ATOM 0 HZ1 LYS A 51 -2.332 14.781 1.170 1.00 61.52 H new ATOM 0 HZ2 LYS A 51 -0.752 15.067 0.620 1.00 61.52 H new ATOM 0 HZ3 LYS A 51 -1.019 14.601 2.231 1.00 61.52 H new ATOM 813 N LYS A 52 -0.956 19.090 -0.683 1.00 2.22 N ATOM 814 CA LYS A 52 -1.946 18.289 -1.393 1.00 12.34 C ATOM 815 C LYS A 52 -1.644 18.250 -2.887 1.00 73.12 C ATOM 816 O LYS A 52 -1.549 17.176 -3.484 1.00 4.44 O ATOM 817 CB LYS A 52 -3.350 18.853 -1.160 1.00 22.23 C ATOM 818 CG LYS A 52 -4.409 18.236 -2.057 1.00 13.33 C ATOM 819 CD LYS A 52 -4.566 16.748 -1.793 1.00 63.03 C ATOM 820 CE LYS A 52 -5.320 16.487 -0.498 1.00 43.34 C ATOM 821 NZ LYS A 52 -6.211 15.299 -0.605 1.00 51.12 N ATOM 0 H LYS A 52 -1.272 20.028 -0.435 1.00 2.22 H new ATOM 0 HA LYS A 52 -1.900 17.272 -1.005 1.00 12.34 H new ATOM 0 HB2 LYS A 52 -3.629 18.692 -0.119 1.00 22.23 H new ATOM 0 HB3 LYS A 52 -3.331 19.931 -1.322 1.00 22.23 H new ATOM 0 HG2 LYS A 52 -5.363 18.738 -1.894 1.00 13.33 H new ATOM 0 HG3 LYS A 52 -4.140 18.395 -3.101 1.00 13.33 H new ATOM 0 HD2 LYS A 52 -5.097 16.284 -2.624 1.00 63.03 H new ATOM 0 HD3 LYS A 52 -3.583 16.281 -1.743 1.00 63.03 H new ATOM 0 HE2 LYS A 52 -4.608 16.335 0.313 1.00 43.34 H new ATOM 0 HE3 LYS A 52 -5.914 17.364 -0.240 1.00 43.34 H new ATOM 0 HZ1 LYS A 52 -6.707 15.155 0.298 1.00 51.12 H new ATOM 0 HZ2 LYS A 52 -6.907 15.454 -1.362 1.00 51.12 H new ATOM 0 HZ3 LYS A 52 -5.642 14.457 -0.826 1.00 51.12 H new ATOM 835 N LEU A 53 -1.494 19.426 -3.487 1.00 23.23 N ATOM 836 CA LEU A 53 -1.201 19.526 -4.912 1.00 63.33 C ATOM 837 C LEU A 53 0.013 18.678 -5.280 1.00 32.44 C ATOM 838 O LEU A 53 0.154 18.238 -6.422 1.00 10.33 O ATOM 839 CB LEU A 53 -0.954 20.984 -5.301 1.00 52.43 C ATOM 840 CG LEU A 53 -1.929 21.582 -6.317 1.00 3.22 C ATOM 841 CD1 LEU A 53 -1.818 20.861 -7.651 1.00 43.43 C ATOM 842 CD2 LEU A 53 -3.355 21.516 -5.790 1.00 2.40 C ATOM 0 H LEU A 53 -1.571 20.323 -3.008 1.00 23.23 H new ATOM 0 HA LEU A 53 -2.064 19.150 -5.462 1.00 63.33 H new ATOM 0 HB2 LEU A 53 -0.986 21.591 -4.396 1.00 52.43 H new ATOM 0 HB3 LEU A 53 0.055 21.066 -5.704 1.00 52.43 H new ATOM 0 HG LEU A 53 -1.668 22.629 -6.470 1.00 3.22 H new ATOM 0 HD11 LEU A 53 -2.519 21.300 -8.361 1.00 43.43 H new ATOM 0 HD12 LEU A 53 -0.803 20.960 -8.035 1.00 43.43 H new ATOM 0 HD13 LEU A 53 -2.053 19.805 -7.515 1.00 43.43 H new ATOM 0 HD21 LEU A 53 -4.035 21.946 -6.526 1.00 2.40 H new ATOM 0 HD22 LEU A 53 -3.628 20.477 -5.607 1.00 2.40 H new ATOM 0 HD23 LEU A 53 -3.425 22.078 -4.859 1.00 2.40 H new ATOM 854 N LEU A 54 0.885 18.449 -4.304 1.00 43.23 N ATOM 855 CA LEU A 54 2.087 17.651 -4.524 1.00 14.12 C ATOM 856 C LEU A 54 1.744 16.168 -4.624 1.00 42.13 C ATOM 857 O LEU A 54 2.092 15.506 -5.601 1.00 43.34 O ATOM 858 CB LEU A 54 3.088 17.879 -3.391 1.00 4.24 C ATOM 859 CG LEU A 54 4.234 16.871 -3.295 1.00 4.51 C ATOM 860 CD1 LEU A 54 5.489 17.540 -2.754 1.00 31.53 C ATOM 861 CD2 LEU A 54 3.836 15.692 -2.419 1.00 51.34 C ATOM 0 H LEU A 54 0.783 18.804 -3.353 1.00 43.23 H new ATOM 0 HA LEU A 54 2.536 17.966 -5.466 1.00 14.12 H new ATOM 0 HB2 LEU A 54 3.516 18.875 -3.506 1.00 4.24 H new ATOM 0 HB3 LEU A 54 2.545 17.872 -2.446 1.00 4.24 H new ATOM 0 HG LEU A 54 4.449 16.497 -4.296 1.00 4.51 H new ATOM 0 HD11 LEU A 54 6.294 16.808 -2.693 1.00 31.53 H new ATOM 0 HD12 LEU A 54 5.786 18.350 -3.420 1.00 31.53 H new ATOM 0 HD13 LEU A 54 5.288 17.942 -1.761 1.00 31.53 H new ATOM 0 HD21 LEU A 54 4.664 14.985 -2.362 1.00 51.34 H new ATOM 0 HD22 LEU A 54 3.594 16.048 -1.418 1.00 51.34 H new ATOM 0 HD23 LEU A 54 2.965 15.197 -2.849 1.00 51.34 H new ATOM 873 N GLU A 55 1.058 15.654 -3.608 1.00 43.11 N ATOM 874 CA GLU A 55 0.668 14.249 -3.584 1.00 12.43 C ATOM 875 C GLU A 55 -0.297 13.933 -4.723 1.00 11.12 C ATOM 876 O GLU A 55 0.033 13.179 -5.639 1.00 21.12 O ATOM 877 CB GLU A 55 0.022 13.900 -2.241 1.00 74.04 C ATOM 878 CG GLU A 55 0.002 12.410 -1.945 1.00 25.12 C ATOM 879 CD GLU A 55 -0.925 12.055 -0.799 1.00 2.14 C ATOM 880 OE1 GLU A 55 -0.727 12.593 0.311 1.00 35.54 O ATOM 881 OE2 GLU A 55 -1.847 11.241 -1.011 1.00 70.41 O ATOM 0 H GLU A 55 0.761 16.189 -2.792 1.00 43.11 H new ATOM 0 HA GLU A 55 1.566 13.646 -3.715 1.00 12.43 H new ATOM 0 HB2 GLU A 55 0.560 14.413 -1.444 1.00 74.04 H new ATOM 0 HB3 GLU A 55 -1.000 14.278 -2.230 1.00 74.04 H new ATOM 0 HG2 GLU A 55 -0.309 11.870 -2.839 1.00 25.12 H new ATOM 0 HG3 GLU A 55 1.012 12.077 -1.707 1.00 25.12 H new