USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=12 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=-0.00531 X(o=-0.0053,f=-0.29) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 74:sc= 0.87 USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= -0.0145 (180deg=-1.04) USER MOD Single : A 15 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.1) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -165:sc= -0.0864 (180deg=-0.554) USER MOD Single : A 24 THR OG1 : rot 97:sc= 0.923 USER MOD Single : A 26 SER OG : rot 89:sc= 0.32 USER MOD Single : A 27 SER OG : rot 103:sc= 1.25 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0551 X(o=-0.055,f=0) USER MOD Single : A 37 ASN :FLIP amide:sc=-0.00824 F(o=-0.91,f=-0.0082) USER MOD Single : A 39 THR OG1 : rot -170:sc= -0.531 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 7.055 5.601 -5.068 1.00 0.25 N ATOM 72 CA ASP A 5 6.519 6.672 -5.900 1.00 0.01 C ATOM 73 C ASP A 5 5.424 7.437 -5.163 1.00 33.40 C ATOM 74 O ASP A 5 5.625 8.575 -4.739 1.00 14.11 O ATOM 75 CB ASP A 5 5.969 6.103 -7.209 1.00 32.14 C ATOM 76 CG ASP A 5 6.979 6.167 -8.337 1.00 73.45 C ATOM 77 OD1 ASP A 5 7.534 7.260 -8.576 1.00 61.42 O ATOM 78 OD2 ASP A 5 7.214 5.123 -8.982 1.00 4.33 O ATOM 0 HA ASP A 5 7.330 7.364 -6.126 1.00 0.01 H new ATOM 0 HB2 ASP A 5 5.668 5.067 -7.053 1.00 32.14 H new ATOM 0 HB3 ASP A 5 5.074 6.656 -7.495 1.00 32.14 H new ATOM 83 N HIS A 6 4.264 6.804 -5.015 1.00 22.41 N ATOM 84 CA HIS A 6 3.136 7.425 -4.330 1.00 23.44 C ATOM 85 C HIS A 6 3.396 7.517 -2.829 1.00 44.00 C ATOM 86 O HIS A 6 2.838 8.373 -2.144 1.00 54.11 O ATOM 87 CB HIS A 6 1.855 6.631 -4.589 1.00 2.30 C ATOM 88 CG HIS A 6 0.610 7.351 -4.171 1.00 41.22 C ATOM 89 ND1 HIS A 6 0.342 8.657 -4.523 1.00 52.20 N ATOM 90 CD2 HIS A 6 -0.444 6.939 -3.428 1.00 5.30 C ATOM 91 CE1 HIS A 6 -0.822 9.018 -4.013 1.00 11.12 C ATOM 92 NE2 HIS A 6 -1.320 7.993 -3.344 1.00 44.50 N ATOM 0 H HIS A 6 4.081 5.862 -5.360 1.00 22.41 H new ATOM 0 HA HIS A 6 3.015 8.434 -4.723 1.00 23.44 H new ATOM 0 HB2 HIS A 6 1.791 6.398 -5.652 1.00 2.30 H new ATOM 0 HB3 HIS A 6 1.912 5.681 -4.057 1.00 2.30 H new ATOM 0 HD2 HIS A 6 -0.572 5.963 -2.984 1.00 5.30 H new ATOM 0 HE1 HIS A 6 -1.287 9.986 -4.124 1.00 11.12 H new ATOM 0 HE2 HIS A 6 -2.210 7.986 -2.846 1.00 44.50 H new ATOM 100 N ALA A 7 4.248 6.629 -2.325 1.00 55.41 N ATOM 101 CA ALA A 7 4.582 6.612 -0.907 1.00 23.14 C ATOM 102 C ALA A 7 5.359 7.863 -0.510 1.00 63.24 C ATOM 103 O ALA A 7 4.950 8.602 0.385 1.00 30.53 O ATOM 104 CB ALA A 7 5.382 5.362 -0.568 1.00 52.33 C ATOM 0 H ALA A 7 4.719 5.913 -2.878 1.00 55.41 H new ATOM 0 HA ALA A 7 3.651 6.600 -0.340 1.00 23.14 H new ATOM 0 HB1 ALA A 7 5.625 5.362 0.495 1.00 52.33 H new ATOM 0 HB2 ALA A 7 4.792 4.477 -0.805 1.00 52.33 H new ATOM 0 HB3 ALA A 7 6.303 5.350 -1.151 1.00 52.33 H new ATOM 110 N ARG A 8 6.482 8.094 -1.183 1.00 23.34 N ATOM 111 CA ARG A 8 7.318 9.255 -0.899 1.00 35.52 C ATOM 112 C ARG A 8 6.527 10.548 -1.072 1.00 1.35 C ATOM 113 O ARG A 8 6.619 11.459 -0.248 1.00 62.01 O ATOM 114 CB ARG A 8 8.541 9.266 -1.817 1.00 23.42 C ATOM 115 CG ARG A 8 9.365 10.539 -1.718 1.00 50.24 C ATOM 116 CD ARG A 8 10.856 10.242 -1.743 1.00 60.42 C ATOM 117 NE ARG A 8 11.643 11.417 -2.105 1.00 51.44 N ATOM 118 CZ ARG A 8 11.679 11.928 -3.331 1.00 44.21 C ATOM 119 NH1 ARG A 8 10.977 11.370 -4.307 1.00 32.51 N ATOM 120 NH2 ARG A 8 12.419 13.000 -3.583 1.00 4.54 N ATOM 0 H ARG A 8 6.834 7.493 -1.928 1.00 23.34 H new ATOM 0 HA ARG A 8 7.651 9.188 0.137 1.00 35.52 H new ATOM 0 HB2 ARG A 8 9.175 8.413 -1.574 1.00 23.42 H new ATOM 0 HB3 ARG A 8 8.212 9.135 -2.848 1.00 23.42 H new ATOM 0 HG2 ARG A 8 9.111 11.203 -2.545 1.00 50.24 H new ATOM 0 HG3 ARG A 8 9.113 11.066 -0.797 1.00 50.24 H new ATOM 0 HD2 ARG A 8 11.170 9.883 -0.763 1.00 60.42 H new ATOM 0 HD3 ARG A 8 11.054 9.440 -2.454 1.00 60.42 H new ATOM 0 HE ARG A 8 12.195 11.870 -1.377 1.00 51.44 H new ATOM 0 HH11 ARG A 8 10.407 10.546 -4.118 1.00 32.51 H new ATOM 0 HH12 ARG A 8 11.007 11.765 -5.247 1.00 32.51 H new ATOM 0 HH21 ARG A 8 12.961 13.433 -2.835 1.00 4.54 H new ATOM 0 HH22 ARG A 8 12.446 13.391 -4.525 1.00 4.54 H new ATOM 134 N PHE A 9 5.751 10.622 -2.148 1.00 0.33 N ATOM 135 CA PHE A 9 4.946 11.805 -2.430 1.00 34.24 C ATOM 136 C PHE A 9 4.012 12.117 -1.264 1.00 12.30 C ATOM 137 O PHE A 9 3.916 13.262 -0.820 1.00 53.41 O ATOM 138 CB PHE A 9 4.132 11.600 -3.709 1.00 52.51 C ATOM 139 CG PHE A 9 4.762 12.216 -4.925 1.00 43.33 C ATOM 140 CD1 PHE A 9 5.092 13.562 -4.945 1.00 22.11 C ATOM 141 CD2 PHE A 9 5.025 11.450 -6.049 1.00 73.43 C ATOM 142 CE1 PHE A 9 5.673 14.132 -6.062 1.00 71.33 C ATOM 143 CE2 PHE A 9 5.606 12.014 -7.169 1.00 75.23 C ATOM 144 CZ PHE A 9 5.929 13.357 -7.176 1.00 71.43 C ATOM 0 H PHE A 9 5.662 9.877 -2.839 1.00 0.33 H new ATOM 0 HA PHE A 9 5.621 12.650 -2.568 1.00 34.24 H new ATOM 0 HB2 PHE A 9 4.001 10.531 -3.879 1.00 52.51 H new ATOM 0 HB3 PHE A 9 3.138 12.025 -3.570 1.00 52.51 H new ATOM 0 HD1 PHE A 9 4.893 14.173 -4.077 1.00 22.11 H new ATOM 0 HD2 PHE A 9 4.773 10.400 -6.050 1.00 73.43 H new ATOM 0 HE1 PHE A 9 5.926 15.182 -6.064 1.00 71.33 H new ATOM 0 HE2 PHE A 9 5.807 11.405 -8.038 1.00 75.23 H new ATOM 0 HZ PHE A 9 6.381 13.800 -8.051 1.00 71.43 H new ATOM 154 N LEU A 10 3.325 11.092 -0.773 1.00 31.21 N ATOM 155 CA LEU A 10 2.397 11.255 0.341 1.00 4.52 C ATOM 156 C LEU A 10 3.147 11.566 1.633 1.00 61.12 C ATOM 157 O LEU A 10 2.791 12.492 2.361 1.00 75.14 O ATOM 158 CB LEU A 10 1.554 9.991 0.519 1.00 44.44 C ATOM 159 CG LEU A 10 0.060 10.209 0.755 1.00 14.33 C ATOM 160 CD1 LEU A 10 -0.758 9.189 -0.022 1.00 11.33 C ATOM 161 CD2 LEU A 10 -0.262 10.133 2.241 1.00 42.22 C ATOM 0 H LEU A 10 3.393 10.138 -1.129 1.00 31.21 H new ATOM 0 HA LEU A 10 1.739 12.093 0.113 1.00 4.52 H new ATOM 0 HB2 LEU A 10 1.674 9.370 -0.369 1.00 44.44 H new ATOM 0 HB3 LEU A 10 1.956 9.426 1.360 1.00 44.44 H new ATOM 0 HG LEU A 10 -0.203 11.204 0.397 1.00 14.33 H new ATOM 0 HD11 LEU A 10 -1.819 9.360 0.159 1.00 11.33 H new ATOM 0 HD12 LEU A 10 -0.550 9.291 -1.087 1.00 11.33 H new ATOM 0 HD13 LEU A 10 -0.492 8.184 0.305 1.00 11.33 H new ATOM 0 HD21 LEU A 10 -1.330 10.291 2.390 1.00 42.22 H new ATOM 0 HD22 LEU A 10 0.017 9.151 2.624 1.00 42.22 H new ATOM 0 HD23 LEU A 10 0.296 10.903 2.774 1.00 42.22 H new ATOM 173 N GLN A 11 4.188 10.787 1.909 1.00 71.33 N ATOM 174 CA GLN A 11 4.989 10.980 3.112 1.00 54.11 C ATOM 175 C GLN A 11 5.485 12.419 3.210 1.00 71.20 C ATOM 176 O GLN A 11 5.716 12.934 4.304 1.00 2.42 O ATOM 177 CB GLN A 11 6.177 10.017 3.120 1.00 74.53 C ATOM 178 CG GLN A 11 6.571 9.549 4.511 1.00 24.31 C ATOM 179 CD GLN A 11 6.933 8.077 4.551 1.00 1.13 C ATOM 180 OE1 GLN A 11 8.046 7.690 4.194 1.00 20.54 O ATOM 181 NE2 GLN A 11 5.992 7.248 4.988 1.00 63.44 N ATOM 0 H GLN A 11 4.496 10.017 1.316 1.00 71.33 H new ATOM 0 HA GLN A 11 4.357 10.773 3.976 1.00 54.11 H new ATOM 0 HB2 GLN A 11 5.934 9.148 2.509 1.00 74.53 H new ATOM 0 HB3 GLN A 11 7.033 10.505 2.654 1.00 74.53 H new ATOM 0 HG2 GLN A 11 7.419 10.137 4.862 1.00 24.31 H new ATOM 0 HG3 GLN A 11 5.747 9.735 5.200 1.00 24.31 H new ATOM 0 HE21 GLN A 11 5.083 7.613 5.274 1.00 63.44 H new ATOM 0 HE22 GLN A 11 6.178 6.246 5.038 1.00 63.44 H new ATOM 190 N THR A 12 5.648 13.063 2.059 1.00 54.53 N ATOM 191 CA THR A 12 6.118 14.442 2.014 1.00 0.15 C ATOM 192 C THR A 12 5.011 15.414 2.409 1.00 64.42 C ATOM 193 O THR A 12 5.159 16.186 3.356 1.00 74.53 O ATOM 194 CB THR A 12 6.637 14.814 0.613 1.00 53.14 C ATOM 195 OG1 THR A 12 7.779 14.015 0.285 1.00 74.23 O ATOM 196 CG2 THR A 12 7.007 16.288 0.546 1.00 1.12 C ATOM 0 H THR A 12 5.461 12.651 1.145 1.00 54.53 H new ATOM 0 HA THR A 12 6.937 14.519 2.729 1.00 0.15 H new ATOM 0 HB THR A 12 5.841 14.623 -0.107 1.00 53.14 H new ATOM 0 HG1 THR A 12 7.491 13.100 0.082 1.00 74.23 H new ATOM 0 HG21 THR A 12 7.371 16.527 -0.453 1.00 1.12 H new ATOM 0 HG22 THR A 12 6.128 16.894 0.767 1.00 1.12 H new ATOM 0 HG23 THR A 12 7.787 16.501 1.277 1.00 1.12 H new ATOM 204 N ALA A 13 3.903 15.369 1.677 1.00 41.43 N ATOM 205 CA ALA A 13 2.770 16.244 1.952 1.00 2.23 C ATOM 206 C ALA A 13 2.365 16.171 3.421 1.00 51.55 C ATOM 207 O ALA A 13 1.964 17.172 4.015 1.00 10.22 O ATOM 208 CB ALA A 13 1.593 15.881 1.059 1.00 22.22 C ATOM 0 H ALA A 13 3.766 14.736 0.889 1.00 41.43 H new ATOM 0 HA ALA A 13 3.073 17.269 1.736 1.00 2.23 H new ATOM 0 HB1 ALA A 13 0.754 16.543 1.276 1.00 22.22 H new ATOM 0 HB2 ALA A 13 1.882 15.991 0.014 1.00 22.22 H new ATOM 0 HB3 ALA A 13 1.298 14.849 1.247 1.00 22.22 H new ATOM 214 N LYS A 14 2.471 14.981 4.000 1.00 20.25 N ATOM 215 CA LYS A 14 2.116 14.776 5.400 1.00 42.41 C ATOM 216 C LYS A 14 3.211 15.305 6.321 1.00 32.24 C ATOM 217 O LYS A 14 2.932 16.001 7.297 1.00 75.25 O ATOM 218 CB LYS A 14 1.877 13.290 5.675 1.00 53.12 C ATOM 219 CG LYS A 14 0.729 13.026 6.635 1.00 45.34 C ATOM 220 CD LYS A 14 0.224 11.598 6.520 1.00 53.00 C ATOM 221 CE LYS A 14 0.978 10.663 7.453 1.00 14.13 C ATOM 222 NZ LYS A 14 2.340 10.347 6.941 1.00 54.23 N ATOM 0 H LYS A 14 2.800 14.142 3.522 1.00 20.25 H new ATOM 0 HA LYS A 14 1.198 15.328 5.601 1.00 42.41 H new ATOM 0 HB2 LYS A 14 1.675 12.782 4.732 1.00 53.12 H new ATOM 0 HB3 LYS A 14 2.789 12.853 6.083 1.00 53.12 H new ATOM 0 HG2 LYS A 14 1.057 13.216 7.657 1.00 45.34 H new ATOM 0 HG3 LYS A 14 -0.086 13.719 6.428 1.00 45.34 H new ATOM 0 HD2 LYS A 14 -0.840 11.567 6.754 1.00 53.00 H new ATOM 0 HD3 LYS A 14 0.334 11.254 5.492 1.00 53.00 H new ATOM 0 HE2 LYS A 14 1.058 11.121 8.439 1.00 14.13 H new ATOM 0 HE3 LYS A 14 0.413 9.739 7.576 1.00 14.13 H new ATOM 0 HZ1 LYS A 14 2.632 9.411 7.287 1.00 54.23 H new ATOM 0 HZ2 LYS A 14 2.328 10.344 5.901 1.00 54.23 H new ATOM 0 HZ3 LYS A 14 3.013 11.066 7.277 1.00 54.23 H new ATOM 236 N ASN A 15 4.457 14.970 6.005 1.00 45.14 N ATOM 237 CA ASN A 15 5.594 15.412 6.804 1.00 2.12 C ATOM 238 C ASN A 15 5.637 16.935 6.895 1.00 74.54 C ATOM 239 O ASN A 15 6.228 17.495 7.818 1.00 41.23 O ATOM 240 CB ASN A 15 6.901 14.889 6.204 1.00 52.11 C ATOM 241 CG ASN A 15 8.123 15.536 6.827 1.00 31.40 C ATOM 242 OD1 ASN A 15 8.658 15.046 7.822 1.00 45.53 O ATOM 243 ND2 ASN A 15 8.570 16.641 6.243 1.00 14.50 N ATOM 0 H ASN A 15 4.705 14.394 5.201 1.00 45.14 H new ATOM 0 HA ASN A 15 5.477 15.009 7.810 1.00 2.12 H new ATOM 0 HB2 ASN A 15 6.955 13.809 6.342 1.00 52.11 H new ATOM 0 HB3 ASN A 15 6.904 15.073 5.130 1.00 52.11 H new ATOM 0 HD21 ASN A 15 9.389 17.120 6.617 1.00 14.50 H new ATOM 0 HD22 ASN A 15 8.095 17.011 5.420 1.00 14.50 H new ATOM 250 N ILE A 16 5.005 17.597 5.931 1.00 22.31 N ATOM 251 CA ILE A 16 4.969 19.054 5.903 1.00 24.40 C ATOM 252 C ILE A 16 3.970 19.599 6.918 1.00 63.50 C ATOM 253 O ILE A 16 4.327 20.381 7.799 1.00 1.15 O ATOM 254 CB ILE A 16 4.602 19.581 4.503 1.00 33.25 C ATOM 255 CG1 ILE A 16 5.637 19.124 3.474 1.00 22.31 C ATOM 256 CG2 ILE A 16 4.497 21.099 4.520 1.00 62.51 C ATOM 257 CD1 ILE A 16 5.053 18.867 2.103 1.00 62.44 C ATOM 0 H ILE A 16 4.511 17.148 5.160 1.00 22.31 H new ATOM 0 HA ILE A 16 5.970 19.400 6.161 1.00 24.40 H new ATOM 0 HB ILE A 16 3.632 19.172 4.220 1.00 33.25 H new ATOM 0 HG12 ILE A 16 6.415 19.883 3.392 1.00 22.31 H new ATOM 0 HG13 ILE A 16 6.116 18.213 3.833 1.00 22.31 H new ATOM 0 HG21 ILE A 16 4.237 21.457 3.524 1.00 62.51 H new ATOM 0 HG22 ILE A 16 3.725 21.402 5.227 1.00 62.51 H new ATOM 0 HG23 ILE A 16 5.453 21.527 4.821 1.00 62.51 H new ATOM 0 HD11 ILE A 16 5.844 18.546 1.425 1.00 62.44 H new ATOM 0 HD12 ILE A 16 4.295 18.087 2.171 1.00 62.44 H new ATOM 0 HD13 ILE A 16 4.599 19.782 1.724 1.00 62.44 H new ATOM 269 N THR A 17 2.715 19.178 6.789 1.00 5.44 N ATOM 270 CA THR A 17 1.664 19.623 7.695 1.00 10.33 C ATOM 271 C THR A 17 1.831 19.004 9.078 1.00 30.30 C ATOM 272 O THR A 17 1.253 19.479 10.055 1.00 41.54 O ATOM 273 CB THR A 17 0.267 19.269 7.152 1.00 60.43 C ATOM 274 OG1 THR A 17 0.331 19.059 5.737 1.00 73.24 O ATOM 275 CG2 THR A 17 -0.731 20.374 7.461 1.00 2.50 C ATOM 0 H THR A 17 2.403 18.530 6.066 1.00 5.44 H new ATOM 0 HA THR A 17 1.752 20.707 7.772 1.00 10.33 H new ATOM 0 HB THR A 17 -0.067 18.354 7.641 1.00 60.43 H new ATOM 0 HG1 THR A 17 -0.561 18.833 5.399 1.00 73.24 H new ATOM 0 HG21 THR A 17 -1.710 20.101 7.067 1.00 2.50 H new ATOM 0 HG22 THR A 17 -0.799 20.511 8.540 1.00 2.50 H new ATOM 0 HG23 THR A 17 -0.400 21.303 6.997 1.00 2.50 H new ATOM 283 N GLU A 18 2.625 17.940 9.153 1.00 4.41 N ATOM 284 CA GLU A 18 2.867 17.256 10.418 1.00 45.41 C ATOM 285 C GLU A 18 3.971 17.952 11.210 1.00 63.42 C ATOM 286 O GLU A 18 3.891 18.071 12.432 1.00 4.34 O ATOM 287 CB GLU A 18 3.247 15.795 10.169 1.00 55.14 C ATOM 288 CG GLU A 18 3.444 14.992 11.443 1.00 70.41 C ATOM 289 CD GLU A 18 2.142 14.731 12.176 1.00 63.43 C ATOM 290 OE1 GLU A 18 1.400 13.817 11.758 1.00 50.21 O ATOM 291 OE2 GLU A 18 1.866 15.439 13.166 1.00 52.21 O ATOM 0 H GLU A 18 3.111 17.534 8.354 1.00 4.41 H new ATOM 0 HA GLU A 18 1.947 17.290 11.002 1.00 45.41 H new ATOM 0 HB2 GLU A 18 2.469 15.323 9.569 1.00 55.14 H new ATOM 0 HB3 GLU A 18 4.166 15.762 9.583 1.00 55.14 H new ATOM 0 HG2 GLU A 18 3.916 14.040 11.199 1.00 70.41 H new ATOM 0 HG3 GLU A 18 4.127 15.527 12.103 1.00 70.41 H new ATOM 298 N ARG A 19 5.001 18.407 10.504 1.00 52.34 N ATOM 299 CA ARG A 19 6.122 19.089 11.140 1.00 72.33 C ATOM 300 C ARG A 19 5.699 20.458 11.665 1.00 72.52 C ATOM 301 O ARG A 19 6.209 20.929 12.681 1.00 33.13 O ATOM 302 CB ARG A 19 7.279 19.245 10.151 1.00 14.01 C ATOM 303 CG ARG A 19 8.604 19.585 10.813 1.00 11.12 C ATOM 304 CD ARG A 19 9.267 20.782 10.150 1.00 13.42 C ATOM 305 NE ARG A 19 10.582 21.065 10.720 1.00 74.14 N ATOM 306 CZ ARG A 19 11.272 22.170 10.462 1.00 10.10 C ATOM 307 NH1 ARG A 19 10.775 23.092 9.649 1.00 32.10 N ATOM 308 NH2 ARG A 19 12.462 22.355 11.019 1.00 42.24 N ATOM 0 H ARG A 19 5.082 18.316 9.491 1.00 52.34 H new ATOM 0 HA ARG A 19 6.453 18.482 11.983 1.00 72.33 H new ATOM 0 HB2 ARG A 19 7.391 18.319 9.587 1.00 14.01 H new ATOM 0 HB3 ARG A 19 7.030 20.027 9.434 1.00 14.01 H new ATOM 0 HG2 ARG A 19 8.440 19.797 11.869 1.00 11.12 H new ATOM 0 HG3 ARG A 19 9.270 18.724 10.761 1.00 11.12 H new ATOM 0 HD2 ARG A 19 9.368 20.594 9.081 1.00 13.42 H new ATOM 0 HD3 ARG A 19 8.628 21.658 10.261 1.00 13.42 H new ATOM 0 HE ARG A 19 10.993 20.376 11.351 1.00 74.14 H new ATOM 0 HH11 ARG A 19 9.860 22.954 9.220 1.00 32.10 H new ATOM 0 HH12 ARG A 19 11.308 23.940 9.453 1.00 32.10 H new ATOM 0 HH21 ARG A 19 12.847 21.648 11.646 1.00 42.24 H new ATOM 0 HH22 ARG A 19 12.992 23.204 10.821 1.00 42.24 H new ATOM 322 N VAL A 20 4.764 21.091 10.964 1.00 14.32 N ATOM 323 CA VAL A 20 4.271 22.406 11.360 1.00 64.54 C ATOM 324 C VAL A 20 3.343 22.305 12.565 1.00 45.10 C ATOM 325 O VAL A 20 3.336 23.181 13.430 1.00 73.10 O ATOM 326 CB VAL A 20 3.521 23.095 10.204 1.00 25.12 C ATOM 327 CG1 VAL A 20 2.339 22.250 9.755 1.00 22.43 C ATOM 328 CG2 VAL A 20 3.066 24.485 10.620 1.00 51.51 C ATOM 0 H VAL A 20 4.333 20.715 10.120 1.00 14.32 H new ATOM 0 HA VAL A 20 5.142 23.004 11.626 1.00 64.54 H new ATOM 0 HB VAL A 20 4.204 23.198 9.360 1.00 25.12 H new ATOM 0 HG11 VAL A 20 1.822 22.753 8.938 1.00 22.43 H new ATOM 0 HG12 VAL A 20 2.695 21.278 9.415 1.00 22.43 H new ATOM 0 HG13 VAL A 20 1.652 22.113 10.590 1.00 22.43 H new ATOM 0 HG21 VAL A 20 2.538 24.958 9.792 1.00 51.51 H new ATOM 0 HG22 VAL A 20 2.399 24.408 11.479 1.00 51.51 H new ATOM 0 HG23 VAL A 20 3.934 25.087 10.888 1.00 51.51 H new ATOM 338 N SER A 21 2.562 21.231 12.616 1.00 62.14 N ATOM 339 CA SER A 21 1.627 21.017 13.714 1.00 61.11 C ATOM 340 C SER A 21 2.373 20.790 15.026 1.00 55.34 C ATOM 341 O SER A 21 1.868 21.109 16.102 1.00 73.32 O ATOM 342 CB SER A 21 0.722 19.820 13.415 1.00 10.31 C ATOM 343 OG SER A 21 -0.222 19.623 14.453 1.00 11.14 O ATOM 0 H SER A 21 2.558 20.495 11.910 1.00 62.14 H new ATOM 0 HA SER A 21 1.013 21.912 13.815 1.00 61.11 H new ATOM 0 HB2 SER A 21 0.201 19.981 12.471 1.00 10.31 H new ATOM 0 HB3 SER A 21 1.329 18.922 13.296 1.00 10.31 H new ATOM 0 HG SER A 21 -0.789 18.853 14.238 1.00 11.14 H new ATOM 349 N MET A 22 3.577 20.238 14.927 1.00 61.35 N ATOM 350 CA MET A 22 4.393 19.969 16.105 1.00 45.03 C ATOM 351 C MET A 22 5.354 21.122 16.375 1.00 45.43 C ATOM 352 O MET A 22 5.543 21.530 17.520 1.00 23.25 O ATOM 353 CB MET A 22 5.178 18.668 15.922 1.00 10.31 C ATOM 354 CG MET A 22 4.662 17.522 16.777 1.00 53.21 C ATOM 355 SD MET A 22 5.732 16.073 16.715 1.00 62.41 S ATOM 356 CE MET A 22 5.737 15.730 14.957 1.00 43.42 C ATOM 0 H MET A 22 4.009 19.968 14.044 1.00 61.35 H new ATOM 0 HA MET A 22 3.727 19.866 16.962 1.00 45.03 H new ATOM 0 HB2 MET A 22 5.139 18.374 14.873 1.00 10.31 H new ATOM 0 HB3 MET A 22 6.225 18.848 16.164 1.00 10.31 H new ATOM 0 HG2 MET A 22 4.570 17.857 17.810 1.00 53.21 H new ATOM 0 HG3 MET A 22 3.662 17.245 16.442 1.00 53.21 H new ATOM 0 HE1 MET A 22 6.126 14.727 14.783 1.00 43.42 H new ATOM 0 HE2 MET A 22 4.720 15.797 14.570 1.00 43.42 H new ATOM 0 HE3 MET A 22 6.368 16.457 14.446 1.00 43.42 H new ATOM 366 N ALA A 23 5.959 21.644 15.312 1.00 23.04 N ATOM 367 CA ALA A 23 6.899 22.751 15.435 1.00 1.35 C ATOM 368 C ALA A 23 6.234 23.967 16.072 1.00 44.44 C ATOM 369 O ALA A 23 6.847 24.676 16.871 1.00 10.21 O ATOM 370 CB ALA A 23 7.471 23.112 14.072 1.00 14.44 C ATOM 0 H ALA A 23 5.814 21.318 14.357 1.00 23.04 H new ATOM 0 HA ALA A 23 7.714 22.433 16.085 1.00 1.35 H new ATOM 0 HB1 ALA A 23 8.171 23.940 14.179 1.00 14.44 H new ATOM 0 HB2 ALA A 23 7.990 22.249 13.655 1.00 14.44 H new ATOM 0 HB3 ALA A 23 6.661 23.406 13.404 1.00 14.44 H new ATOM 376 N THR A 24 4.977 24.205 15.711 1.00 31.15 N ATOM 377 CA THR A 24 4.230 25.336 16.246 1.00 54.55 C ATOM 378 C THR A 24 3.623 25.003 17.604 1.00 41.13 C ATOM 379 O THR A 24 3.501 25.869 18.469 1.00 2.41 O ATOM 380 CB THR A 24 3.105 25.770 15.286 1.00 1.23 C ATOM 381 OG1 THR A 24 3.550 25.663 13.929 1.00 20.25 O ATOM 382 CG2 THR A 24 2.672 27.200 15.572 1.00 41.34 C ATOM 0 H THR A 24 4.455 23.629 15.050 1.00 31.15 H new ATOM 0 HA THR A 24 4.938 26.157 16.360 1.00 54.55 H new ATOM 0 HB THR A 24 2.251 25.111 15.440 1.00 1.23 H new ATOM 0 HG1 THR A 24 3.244 24.812 13.550 1.00 20.25 H new ATOM 0 HG21 THR A 24 1.877 27.484 14.882 1.00 41.34 H new ATOM 0 HG22 THR A 24 2.306 27.271 16.596 1.00 41.34 H new ATOM 0 HG23 THR A 24 3.522 27.870 15.443 1.00 41.34 H new ATOM 390 N ALA A 25 3.245 23.742 17.784 1.00 32.11 N ATOM 391 CA ALA A 25 2.653 23.294 19.039 1.00 63.23 C ATOM 392 C ALA A 25 3.729 22.997 20.078 1.00 62.23 C ATOM 393 O ALA A 25 3.425 22.651 21.219 1.00 33.30 O ATOM 394 CB ALA A 25 1.789 22.064 18.805 1.00 73.21 C ATOM 0 H ALA A 25 3.338 23.013 17.077 1.00 32.11 H new ATOM 0 HA ALA A 25 2.025 24.098 19.424 1.00 63.23 H new ATOM 0 HB1 ALA A 25 1.353 21.740 19.750 1.00 73.21 H new ATOM 0 HB2 ALA A 25 0.992 22.308 18.103 1.00 73.21 H new ATOM 0 HB3 ALA A 25 2.402 21.262 18.394 1.00 73.21 H new ATOM 400 N SER A 26 4.988 23.134 19.675 1.00 65.34 N ATOM 401 CA SER A 26 6.110 22.875 20.570 1.00 0.40 C ATOM 402 C SER A 26 6.978 24.121 20.727 1.00 34.42 C ATOM 403 O SER A 26 7.860 24.172 21.584 1.00 70.31 O ATOM 404 CB SER A 26 6.955 21.715 20.042 1.00 70.43 C ATOM 405 OG SER A 26 6.233 20.496 20.088 1.00 24.14 O ATOM 0 H SER A 26 5.257 23.423 18.734 1.00 65.34 H new ATOM 0 HA SER A 26 5.708 22.607 21.547 1.00 0.40 H new ATOM 0 HB2 SER A 26 7.261 21.921 19.017 1.00 70.43 H new ATOM 0 HB3 SER A 26 7.865 21.625 20.635 1.00 70.43 H new ATOM 0 HG SER A 26 5.731 20.381 19.254 1.00 24.14 H new ATOM 411 N SER A 27 6.720 25.123 19.893 1.00 34.12 N ATOM 412 CA SER A 27 7.479 26.367 19.936 1.00 54.32 C ATOM 413 C SER A 27 6.714 27.444 20.700 1.00 41.12 C ATOM 414 O SER A 27 7.308 28.380 21.234 1.00 0.12 O ATOM 415 CB SER A 27 7.784 26.852 18.517 1.00 31.11 C ATOM 416 OG SER A 27 8.789 26.057 17.912 1.00 41.30 O ATOM 0 H SER A 27 5.991 25.098 19.180 1.00 34.12 H new ATOM 0 HA SER A 27 8.417 26.174 20.456 1.00 54.32 H new ATOM 0 HB2 SER A 27 6.876 26.817 17.914 1.00 31.11 H new ATOM 0 HB3 SER A 27 8.107 27.892 18.546 1.00 31.11 H new ATOM 0 HG SER A 27 8.376 25.432 17.280 1.00 41.30 H new ATOM 422 N GLN A 28 5.393 27.303 20.746 1.00 43.01 N ATOM 423 CA GLN A 28 4.547 28.264 21.444 1.00 71.35 C ATOM 424 C GLN A 28 3.772 27.589 22.571 1.00 63.02 C ATOM 425 O GLN A 28 4.156 27.671 23.738 1.00 40.53 O ATOM 426 CB GLN A 28 3.574 28.924 20.465 1.00 64.25 C ATOM 427 CG GLN A 28 4.137 30.166 19.793 1.00 51.12 C ATOM 428 CD GLN A 28 3.518 30.425 18.433 1.00 1.33 C ATOM 429 OE1 GLN A 28 4.123 30.142 17.399 1.00 41.52 O ATOM 430 NE2 GLN A 28 2.305 30.966 18.428 1.00 4.21 N ATOM 0 H GLN A 28 4.886 26.534 20.309 1.00 43.01 H new ATOM 0 HA GLN A 28 5.191 29.029 21.877 1.00 71.35 H new ATOM 0 HB2 GLN A 28 3.296 28.201 19.699 1.00 64.25 H new ATOM 0 HB3 GLN A 28 2.661 29.191 20.997 1.00 64.25 H new ATOM 0 HG2 GLN A 28 3.968 31.030 20.435 1.00 51.12 H new ATOM 0 HG3 GLN A 28 5.216 30.057 19.682 1.00 51.12 H new ATOM 0 HE21 GLN A 28 1.840 31.184 19.309 1.00 4.21 H new ATOM 0 HE22 GLN A 28 1.838 31.163 17.543 1.00 4.21 H new ATOM 439 N VAL A 29 2.679 26.922 22.214 1.00 24.54 N ATOM 440 CA VAL A 29 1.851 26.232 23.196 1.00 72.41 C ATOM 441 C VAL A 29 0.627 25.605 22.538 1.00 32.52 C ATOM 442 O VAL A 29 0.123 24.576 22.992 1.00 53.31 O ATOM 443 CB VAL A 29 1.388 27.188 24.311 1.00 55.02 C ATOM 444 CG1 VAL A 29 0.787 28.452 23.715 1.00 41.22 C ATOM 445 CG2 VAL A 29 0.390 26.495 25.227 1.00 62.34 C ATOM 0 H VAL A 29 2.347 26.845 21.253 1.00 24.54 H new ATOM 0 HA VAL A 29 2.467 25.447 23.634 1.00 72.41 H new ATOM 0 HB VAL A 29 2.256 27.472 24.906 1.00 55.02 H new ATOM 0 HG11 VAL A 29 0.465 29.116 24.518 1.00 41.22 H new ATOM 0 HG12 VAL A 29 1.535 28.957 23.104 1.00 41.22 H new ATOM 0 HG13 VAL A 29 -0.071 28.190 23.095 1.00 41.22 H new ATOM 0 HG21 VAL A 29 0.074 27.185 26.009 1.00 62.34 H new ATOM 0 HG22 VAL A 29 -0.478 26.180 24.648 1.00 62.34 H new ATOM 0 HG23 VAL A 29 0.859 25.622 25.681 1.00 62.34 H new ATOM 455 N LEU A 30 0.153 26.230 21.466 1.00 31.41 N ATOM 456 CA LEU A 30 -1.013 25.733 20.744 1.00 71.42 C ATOM 457 C LEU A 30 -2.283 25.916 21.568 1.00 32.54 C ATOM 458 O LEU A 30 -2.761 24.977 22.207 1.00 5.22 O ATOM 459 CB LEU A 30 -0.828 24.256 20.392 1.00 72.52 C ATOM 460 CG LEU A 30 -1.573 23.763 19.151 1.00 72.13 C ATOM 461 CD1 LEU A 30 -1.003 24.406 17.896 1.00 73.42 C ATOM 462 CD2 LEU A 30 -1.503 22.246 19.054 1.00 75.21 C ATOM 0 H LEU A 30 0.558 27.082 21.078 1.00 31.41 H new ATOM 0 HA LEU A 30 -1.113 26.310 19.824 1.00 71.42 H new ATOM 0 HB2 LEU A 30 0.236 24.067 20.251 1.00 72.52 H new ATOM 0 HB3 LEU A 30 -1.148 23.657 21.245 1.00 72.52 H new ATOM 0 HG LEU A 30 -2.620 24.053 19.240 1.00 72.13 H new ATOM 0 HD11 LEU A 30 -1.545 24.043 17.023 1.00 73.42 H new ATOM 0 HD12 LEU A 30 -1.106 25.489 17.963 1.00 73.42 H new ATOM 0 HD13 LEU A 30 0.052 24.147 17.801 1.00 73.42 H new ATOM 0 HD21 LEU A 30 -2.039 21.913 18.165 1.00 75.21 H new ATOM 0 HD22 LEU A 30 -0.461 21.933 18.988 1.00 75.21 H new ATOM 0 HD23 LEU A 30 -1.959 21.803 19.939 1.00 75.21 H new ATOM 474 N ILE A 31 -2.826 27.128 21.548 1.00 52.01 N ATOM 475 CA ILE A 31 -4.043 27.432 22.291 1.00 43.31 C ATOM 476 C ILE A 31 -4.870 28.497 21.579 1.00 41.21 C ATOM 477 O ILE A 31 -4.838 29.678 21.925 1.00 4.31 O ATOM 478 CB ILE A 31 -3.725 27.915 23.718 1.00 24.05 C ATOM 479 CG1 ILE A 31 -2.652 29.005 23.684 1.00 4.34 C ATOM 480 CG2 ILE A 31 -3.274 26.748 24.584 1.00 31.21 C ATOM 481 CD1 ILE A 31 -3.068 30.285 24.375 1.00 74.10 C ATOM 0 H ILE A 31 -2.443 27.916 21.026 1.00 52.01 H new ATOM 0 HA ILE A 31 -4.617 26.507 22.348 1.00 43.31 H new ATOM 0 HB ILE A 31 -4.631 28.337 24.153 1.00 24.05 H new ATOM 0 HG12 ILE A 31 -1.745 28.626 24.155 1.00 4.34 H new ATOM 0 HG13 ILE A 31 -2.403 29.226 22.646 1.00 4.34 H new ATOM 0 HG21 ILE A 31 -3.053 27.105 25.590 1.00 31.21 H new ATOM 0 HG22 ILE A 31 -4.067 26.002 24.630 1.00 31.21 H new ATOM 0 HG23 ILE A 31 -2.379 26.300 24.153 1.00 31.21 H new ATOM 0 HD11 ILE A 31 -2.259 31.012 24.312 1.00 74.10 H new ATOM 0 HD12 ILE A 31 -3.957 30.688 23.890 1.00 74.10 H new ATOM 0 HD13 ILE A 31 -3.289 30.078 25.422 1.00 74.10 H new ATOM 493 N PRO A 32 -5.631 28.072 20.560 1.00 34.40 N ATOM 494 CA PRO A 32 -6.484 28.973 19.779 1.00 72.50 C ATOM 495 C PRO A 32 -7.674 29.486 20.582 1.00 32.14 C ATOM 496 O PRO A 32 -8.760 28.908 20.538 1.00 42.44 O ATOM 497 CB PRO A 32 -6.961 28.094 18.620 1.00 62.41 C ATOM 498 CG PRO A 32 -6.886 26.701 19.145 1.00 52.34 C ATOM 499 CD PRO A 32 -5.719 26.678 20.092 1.00 10.04 C ATOM 0 HA PRO A 32 -5.948 29.868 19.462 1.00 72.50 H new ATOM 0 HB2 PRO A 32 -7.977 28.350 18.321 1.00 62.41 H new ATOM 0 HB3 PRO A 32 -6.329 28.220 17.741 1.00 62.41 H new ATOM 0 HG2 PRO A 32 -7.809 26.426 19.656 1.00 52.34 H new ATOM 0 HG3 PRO A 32 -6.745 25.986 18.335 1.00 52.34 H new ATOM 0 HD2 PRO A 32 -5.886 25.987 20.918 1.00 10.04 H new ATOM 0 HD3 PRO A 32 -4.803 26.363 19.593 1.00 10.04 H new ATOM 507 N GLU A 33 -7.462 30.574 21.316 1.00 50.21 N ATOM 508 CA GLU A 33 -8.519 31.164 22.129 1.00 4.24 C ATOM 509 C GLU A 33 -9.407 32.076 21.289 1.00 54.33 C ATOM 510 O GLU A 33 -10.634 31.989 21.346 1.00 14.31 O ATOM 511 CB GLU A 33 -7.916 31.953 23.294 1.00 40.13 C ATOM 512 CG GLU A 33 -8.946 32.713 24.112 1.00 53.42 C ATOM 513 CD GLU A 33 -8.314 33.604 25.163 1.00 13.34 C ATOM 514 OE1 GLU A 33 -8.707 34.786 25.253 1.00 53.54 O ATOM 515 OE2 GLU A 33 -7.427 33.120 25.897 1.00 51.34 O ATOM 0 H GLU A 33 -6.569 31.064 21.364 1.00 50.21 H new ATOM 0 HA GLU A 33 -9.132 30.354 22.526 1.00 4.24 H new ATOM 0 HB2 GLU A 33 -7.380 31.266 23.948 1.00 40.13 H new ATOM 0 HB3 GLU A 33 -7.183 32.658 22.903 1.00 40.13 H new ATOM 0 HG2 GLU A 33 -9.557 33.321 23.445 1.00 53.42 H new ATOM 0 HG3 GLU A 33 -9.615 32.003 24.598 1.00 53.42 H new ATOM 522 N ILE A 34 -8.779 32.950 20.510 1.00 52.33 N ATOM 523 CA ILE A 34 -9.512 33.878 19.657 1.00 33.11 C ATOM 524 C ILE A 34 -8.590 34.528 18.631 1.00 30.14 C ATOM 525 O ILE A 34 -8.970 34.728 17.479 1.00 72.13 O ATOM 526 CB ILE A 34 -10.199 34.980 20.485 1.00 52.33 C ATOM 527 CG1 ILE A 34 -10.916 35.969 19.563 1.00 60.35 C ATOM 528 CG2 ILE A 34 -9.181 35.702 21.354 1.00 23.14 C ATOM 529 CD1 ILE A 34 -12.238 36.457 20.111 1.00 13.12 C ATOM 0 H ILE A 34 -7.764 33.035 20.452 1.00 52.33 H new ATOM 0 HA ILE A 34 -10.274 33.296 19.139 1.00 33.11 H new ATOM 0 HB ILE A 34 -10.940 34.516 21.136 1.00 52.33 H new ATOM 0 HG12 ILE A 34 -10.266 36.826 19.388 1.00 60.35 H new ATOM 0 HG13 ILE A 34 -11.086 35.495 18.596 1.00 60.35 H new ATOM 0 HG21 ILE A 34 -9.682 36.478 21.933 1.00 23.14 H new ATOM 0 HG22 ILE A 34 -8.711 34.990 22.032 1.00 23.14 H new ATOM 0 HG23 ILE A 34 -8.419 36.157 20.721 1.00 23.14 H new ATOM 0 HD11 ILE A 34 -12.689 37.154 19.405 1.00 13.12 H new ATOM 0 HD12 ILE A 34 -12.906 35.608 20.260 1.00 13.12 H new ATOM 0 HD13 ILE A 34 -12.073 36.961 21.063 1.00 13.12 H new ATOM 541 N ASN A 35 -7.375 34.854 19.059 1.00 24.13 N ATOM 542 CA ASN A 35 -6.396 35.480 18.177 1.00 14.44 C ATOM 543 C ASN A 35 -5.370 34.461 17.693 1.00 43.33 C ATOM 544 O ASN A 35 -4.989 34.456 16.521 1.00 33.21 O ATOM 545 CB ASN A 35 -5.690 36.629 18.900 1.00 43.22 C ATOM 546 CG ASN A 35 -6.183 37.989 18.444 1.00 2.04 C ATOM 547 OD1 ASN A 35 -5.560 38.638 17.603 1.00 31.35 O ATOM 548 ND2 ASN A 35 -7.307 38.427 19.000 1.00 43.04 N ATOM 0 H ASN A 35 -7.044 34.695 20.011 1.00 24.13 H new ATOM 0 HA ASN A 35 -6.925 35.875 17.310 1.00 14.44 H new ATOM 0 HB2 ASN A 35 -5.847 36.530 19.974 1.00 43.22 H new ATOM 0 HB3 ASN A 35 -4.616 36.558 18.727 1.00 43.22 H new ATOM 0 HD21 ASN A 35 -7.687 39.335 18.734 1.00 43.04 H new ATOM 0 HD22 ASN A 35 -7.790 37.855 19.693 1.00 43.04 H new ATOM 555 N LEU A 36 -4.925 33.600 18.601 1.00 72.10 N ATOM 556 CA LEU A 36 -3.943 32.575 18.267 1.00 64.32 C ATOM 557 C LEU A 36 -4.411 31.738 17.080 1.00 4.14 C ATOM 558 O LEU A 36 -3.638 31.453 16.166 1.00 32.24 O ATOM 559 CB LEU A 36 -3.689 31.671 19.474 1.00 23.34 C ATOM 560 CG LEU A 36 -2.688 30.534 19.263 1.00 4.34 C ATOM 561 CD1 LEU A 36 -3.380 29.316 18.674 1.00 71.45 C ATOM 562 CD2 LEU A 36 -1.547 30.989 18.365 1.00 64.40 C ATOM 0 H LEU A 36 -5.229 33.591 19.575 1.00 72.10 H new ATOM 0 HA LEU A 36 -3.013 33.074 17.992 1.00 64.32 H new ATOM 0 HB2 LEU A 36 -3.336 32.290 20.299 1.00 23.34 H new ATOM 0 HB3 LEU A 36 -4.640 31.238 19.785 1.00 23.34 H new ATOM 0 HG LEU A 36 -2.273 30.256 20.232 1.00 4.34 H new ATOM 0 HD11 LEU A 36 -2.652 28.518 18.531 1.00 71.45 H new ATOM 0 HD12 LEU A 36 -4.161 28.977 19.354 1.00 71.45 H new ATOM 0 HD13 LEU A 36 -3.824 29.579 17.714 1.00 71.45 H new ATOM 0 HD21 LEU A 36 -0.844 30.168 18.225 1.00 64.40 H new ATOM 0 HD22 LEU A 36 -1.945 31.294 17.397 1.00 64.40 H new ATOM 0 HD23 LEU A 36 -1.033 31.831 18.828 1.00 64.40 H new ATOM 574 N ASN A 37 -5.682 31.350 17.101 1.00 25.34 N ATOM 575 CA ASN A 37 -6.253 30.547 16.026 1.00 13.13 C ATOM 576 C ASN A 37 -5.998 31.195 14.669 1.00 51.01 C ATOM 577 O ASN A 37 -5.552 30.536 13.729 1.00 0.52 O ATOM 578 CB ASN A 37 -7.757 30.365 16.242 1.00 30.33 C ATOM 579 CG ASN A 37 -8.343 29.287 15.351 1.00 64.41 C ATOM 580 OD1 ASN A 37 -7.726 28.111 15.362 1.00 22.21 O flip ATOM 581 ND2 ASN A 37 -9.338 29.509 14.661 1.00 62.33 N flip ATOM 0 H ASN A 37 -6.336 31.578 17.850 1.00 25.34 H new ATOM 0 HA ASN A 37 -5.769 29.570 16.039 1.00 13.13 H new ATOM 0 HB2 ASN A 37 -7.943 30.111 17.285 1.00 30.33 H new ATOM 0 HB3 ASN A 37 -8.266 31.309 16.048 1.00 30.33 H new ATOM 0 HD21 ASN A 37 -9.780 30.428 14.684 1.00 62.33 H new ATOM 0 HD22 ASN A 37 -9.721 28.774 14.066 1.00 62.33 H new ATOM 588 N ASP A 38 -6.284 32.489 14.574 1.00 23.12 N ATOM 589 CA ASP A 38 -6.084 33.227 13.333 1.00 43.24 C ATOM 590 C ASP A 38 -4.644 33.094 12.847 1.00 23.00 C ATOM 591 O ASP A 38 -4.374 33.145 11.646 1.00 30.24 O ATOM 592 CB ASP A 38 -6.434 34.703 13.530 1.00 71.14 C ATOM 593 CG ASP A 38 -7.905 34.985 13.292 1.00 4.43 C ATOM 594 OD1 ASP A 38 -8.226 36.089 12.802 1.00 24.51 O ATOM 595 OD2 ASP A 38 -8.734 34.103 13.596 1.00 53.21 O ATOM 0 H ASP A 38 -6.655 33.048 15.342 1.00 23.12 H new ATOM 0 HA ASP A 38 -6.744 32.802 12.577 1.00 43.24 H new ATOM 0 HB2 ASP A 38 -6.168 35.005 14.543 1.00 71.14 H new ATOM 0 HB3 ASP A 38 -5.836 35.309 12.850 1.00 71.14 H new ATOM 600 N THR A 39 -3.720 32.924 13.788 1.00 13.24 N ATOM 601 CA THR A 39 -2.308 32.786 13.457 1.00 3.13 C ATOM 602 C THR A 39 -1.990 31.372 12.984 1.00 44.40 C ATOM 603 O THR A 39 -1.431 31.180 11.904 1.00 24.41 O ATOM 604 CB THR A 39 -1.412 33.125 14.664 1.00 72.01 C ATOM 605 OG1 THR A 39 -2.216 33.584 15.757 1.00 44.34 O ATOM 606 CG2 THR A 39 -0.390 34.190 14.297 1.00 62.12 C ATOM 0 H THR A 39 -3.925 32.879 14.786 1.00 13.24 H new ATOM 0 HA THR A 39 -2.102 33.491 12.652 1.00 3.13 H new ATOM 0 HB THR A 39 -0.880 32.221 14.959 1.00 72.01 H new ATOM 0 HG1 THR A 39 -1.637 33.945 16.460 1.00 44.34 H new ATOM 0 HG21 THR A 39 0.231 34.413 15.165 1.00 62.12 H new ATOM 0 HG22 THR A 39 0.239 33.826 13.485 1.00 62.12 H new ATOM 0 HG23 THR A 39 -0.906 35.095 13.978 1.00 62.12 H new ATOM 614 N PHE A 40 -2.350 30.386 13.798 1.00 24.22 N ATOM 615 CA PHE A 40 -2.102 28.988 13.462 1.00 1.53 C ATOM 616 C PHE A 40 -2.786 28.615 12.150 1.00 1.04 C ATOM 617 O PHE A 40 -2.214 27.910 11.319 1.00 75.32 O ATOM 618 CB PHE A 40 -2.597 28.076 14.586 1.00 11.24 C ATOM 619 CG PHE A 40 -2.045 26.681 14.513 1.00 14.11 C ATOM 620 CD1 PHE A 40 -0.699 26.466 14.266 1.00 11.34 C ATOM 621 CD2 PHE A 40 -2.873 25.584 14.690 1.00 15.33 C ATOM 622 CE1 PHE A 40 -0.188 25.184 14.199 1.00 71.24 C ATOM 623 CE2 PHE A 40 -2.368 24.300 14.624 1.00 32.31 C ATOM 624 CZ PHE A 40 -1.024 24.099 14.377 1.00 51.13 C ATOM 0 H PHE A 40 -2.814 30.528 14.695 1.00 24.22 H new ATOM 0 HA PHE A 40 -1.027 28.854 13.342 1.00 1.53 H new ATOM 0 HB2 PHE A 40 -2.326 28.516 15.546 1.00 11.24 H new ATOM 0 HB3 PHE A 40 -3.686 28.030 14.553 1.00 11.24 H new ATOM 0 HD1 PHE A 40 -0.041 27.311 14.124 1.00 11.34 H new ATOM 0 HD2 PHE A 40 -3.925 25.735 14.882 1.00 15.33 H new ATOM 0 HE1 PHE A 40 0.864 25.031 14.008 1.00 71.24 H new ATOM 0 HE2 PHE A 40 -3.024 23.454 14.765 1.00 32.31 H new ATOM 0 HZ PHE A 40 -0.628 23.096 14.323 1.00 51.13 H new ATOM 634 N ASP A 41 -4.013 29.093 11.973 1.00 23.21 N ATOM 635 CA ASP A 41 -4.776 28.810 10.763 1.00 43.32 C ATOM 636 C ASP A 41 -4.020 29.278 9.523 1.00 72.43 C ATOM 637 O ASP A 41 -3.668 28.475 8.658 1.00 44.25 O ATOM 638 CB ASP A 41 -6.145 29.489 10.827 1.00 3.33 C ATOM 639 CG ASP A 41 -7.210 28.717 10.075 1.00 72.22 C ATOM 640 OD1 ASP A 41 -8.249 28.390 10.686 1.00 55.03 O ATOM 641 OD2 ASP A 41 -7.005 28.440 8.875 1.00 72.43 O ATOM 0 H ASP A 41 -4.500 29.678 12.652 1.00 23.21 H new ATOM 0 HA ASP A 41 -4.917 27.731 10.696 1.00 43.32 H new ATOM 0 HB2 ASP A 41 -6.446 29.596 11.869 1.00 3.33 H new ATOM 0 HB3 ASP A 41 -6.068 30.494 10.413 1.00 3.33 H new ATOM 646 N THR A 42 -3.775 30.582 9.442 1.00 71.25 N ATOM 647 CA THR A 42 -3.064 31.157 8.307 1.00 61.43 C ATOM 648 C THR A 42 -1.714 30.478 8.102 1.00 34.35 C ATOM 649 O THR A 42 -1.180 30.458 6.994 1.00 62.44 O ATOM 650 CB THR A 42 -2.842 32.670 8.491 1.00 62.31 C ATOM 651 OG1 THR A 42 -2.931 33.335 7.226 1.00 13.53 O ATOM 652 CG2 THR A 42 -1.484 32.945 9.120 1.00 72.23 C ATOM 0 H THR A 42 -4.059 31.260 10.149 1.00 71.25 H new ATOM 0 HA THR A 42 -3.687 30.993 7.428 1.00 61.43 H new ATOM 0 HB THR A 42 -3.617 33.051 9.157 1.00 62.31 H new ATOM 0 HG1 THR A 42 -2.790 34.297 7.351 1.00 13.53 H new ATOM 0 HG21 THR A 42 -1.350 34.020 9.240 1.00 72.23 H new ATOM 0 HG22 THR A 42 -1.430 32.461 10.095 1.00 72.23 H new ATOM 0 HG23 THR A 42 -0.698 32.551 8.476 1.00 72.23 H new ATOM 660 N PHE A 43 -1.168 29.921 9.179 1.00 52.43 N ATOM 661 CA PHE A 43 0.120 29.241 9.117 1.00 1.11 C ATOM 662 C PHE A 43 -0.019 27.871 8.461 1.00 73.33 C ATOM 663 O PHE A 43 0.734 27.527 7.550 1.00 11.31 O ATOM 664 CB PHE A 43 0.708 29.089 10.522 1.00 60.14 C ATOM 665 CG PHE A 43 2.167 28.731 10.525 1.00 12.43 C ATOM 666 CD1 PHE A 43 2.655 27.765 11.390 1.00 74.44 C ATOM 667 CD2 PHE A 43 3.050 29.363 9.665 1.00 65.43 C ATOM 668 CE1 PHE A 43 3.996 27.433 11.395 1.00 25.04 C ATOM 669 CE2 PHE A 43 4.393 29.035 9.666 1.00 61.24 C ATOM 670 CZ PHE A 43 4.867 28.070 10.533 1.00 71.22 C ATOM 0 H PHE A 43 -1.598 29.928 10.104 1.00 52.43 H new ATOM 0 HA PHE A 43 0.794 29.847 8.512 1.00 1.11 H new ATOM 0 HB2 PHE A 43 0.570 30.022 11.068 1.00 60.14 H new ATOM 0 HB3 PHE A 43 0.152 28.320 11.059 1.00 60.14 H new ATOM 0 HD1 PHE A 43 1.979 27.266 12.068 1.00 74.44 H new ATOM 0 HD2 PHE A 43 2.685 30.120 8.986 1.00 65.43 H new ATOM 0 HE1 PHE A 43 4.363 26.676 12.072 1.00 25.04 H new ATOM 0 HE2 PHE A 43 5.071 29.533 8.989 1.00 61.24 H new ATOM 0 HZ PHE A 43 5.916 27.814 10.537 1.00 71.22 H new ATOM 680 N ALA A 44 -0.988 27.092 8.931 1.00 72.12 N ATOM 681 CA ALA A 44 -1.228 25.760 8.389 1.00 31.05 C ATOM 682 C ALA A 44 -1.757 25.835 6.961 1.00 22.11 C ATOM 683 O ALA A 44 -1.279 25.128 6.073 1.00 24.53 O ATOM 684 CB ALA A 44 -2.202 24.998 9.276 1.00 72.34 C ATOM 0 H ALA A 44 -1.619 27.360 9.686 1.00 72.12 H new ATOM 0 HA ALA A 44 -0.278 25.226 8.368 1.00 31.05 H new ATOM 0 HB1 ALA A 44 -2.373 24.005 8.860 1.00 72.34 H new ATOM 0 HB2 ALA A 44 -1.784 24.905 10.279 1.00 72.34 H new ATOM 0 HB3 ALA A 44 -3.148 25.538 9.326 1.00 72.34 H new ATOM 690 N LEU A 45 -2.746 26.695 6.746 1.00 41.11 N ATOM 691 CA LEU A 45 -3.341 26.862 5.424 1.00 4.03 C ATOM 692 C LEU A 45 -2.262 27.021 4.358 1.00 42.42 C ATOM 693 O LEU A 45 -2.161 26.211 3.437 1.00 65.40 O ATOM 694 CB LEU A 45 -4.270 28.077 5.411 1.00 31.14 C ATOM 695 CG LEU A 45 -5.450 28.009 4.441 1.00 42.21 C ATOM 696 CD1 LEU A 45 -4.979 27.589 3.057 1.00 12.30 C ATOM 697 CD2 LEU A 45 -6.512 27.050 4.959 1.00 40.43 C ATOM 0 H LEU A 45 -3.153 27.288 7.470 1.00 41.11 H new ATOM 0 HA LEU A 45 -3.921 25.967 5.198 1.00 4.03 H new ATOM 0 HB2 LEU A 45 -4.661 28.221 6.418 1.00 31.14 H new ATOM 0 HB3 LEU A 45 -3.678 28.960 5.170 1.00 31.14 H new ATOM 0 HG LEU A 45 -5.892 29.002 4.366 1.00 42.21 H new ATOM 0 HD11 LEU A 45 -5.832 27.546 2.380 1.00 12.30 H new ATOM 0 HD12 LEU A 45 -4.255 28.314 2.683 1.00 12.30 H new ATOM 0 HD13 LEU A 45 -4.511 26.606 3.115 1.00 12.30 H new ATOM 0 HD21 LEU A 45 -7.344 27.014 4.256 1.00 40.43 H new ATOM 0 HD22 LEU A 45 -6.083 26.054 5.064 1.00 40.43 H new ATOM 0 HD23 LEU A 45 -6.871 27.394 5.929 1.00 40.43 H new ATOM 709 N ASP A 46 -1.457 28.070 4.490 1.00 10.01 N ATOM 710 CA ASP A 46 -0.383 28.334 3.540 1.00 41.22 C ATOM 711 C ASP A 46 0.437 27.074 3.282 1.00 32.20 C ATOM 712 O ASP A 46 0.728 26.734 2.135 1.00 32.41 O ATOM 713 CB ASP A 46 0.524 29.450 4.060 1.00 4.12 C ATOM 714 CG ASP A 46 0.866 30.466 2.988 1.00 11.10 C ATOM 715 OD1 ASP A 46 1.672 30.136 2.093 1.00 54.15 O ATOM 716 OD2 ASP A 46 0.327 31.591 3.044 1.00 73.11 O ATOM 0 H ASP A 46 -1.528 28.751 5.246 1.00 10.01 H new ATOM 0 HA ASP A 46 -0.834 28.651 2.600 1.00 41.22 H new ATOM 0 HB2 ASP A 46 0.033 29.955 4.892 1.00 4.12 H new ATOM 0 HB3 ASP A 46 1.444 29.014 4.450 1.00 4.12 H new ATOM 721 N PHE A 47 0.807 26.385 4.356 1.00 3.04 N ATOM 722 CA PHE A 47 1.596 25.163 4.247 1.00 54.11 C ATOM 723 C PHE A 47 0.896 24.143 3.353 1.00 45.22 C ATOM 724 O PHE A 47 1.490 23.616 2.412 1.00 23.13 O ATOM 725 CB PHE A 47 1.838 24.562 5.633 1.00 63.43 C ATOM 726 CG PHE A 47 3.237 24.769 6.140 1.00 51.14 C ATOM 727 CD1 PHE A 47 4.320 24.228 5.466 1.00 53.05 C ATOM 728 CD2 PHE A 47 3.469 25.505 7.291 1.00 74.13 C ATOM 729 CE1 PHE A 47 5.608 24.417 5.929 1.00 1.41 C ATOM 730 CE2 PHE A 47 4.755 25.698 7.759 1.00 74.13 C ATOM 731 CZ PHE A 47 5.826 25.153 7.078 1.00 75.52 C ATOM 0 H PHE A 47 0.573 26.652 5.312 1.00 3.04 H new ATOM 0 HA PHE A 47 2.555 25.418 3.797 1.00 54.11 H new ATOM 0 HB2 PHE A 47 1.135 25.003 6.339 1.00 63.43 H new ATOM 0 HB3 PHE A 47 1.627 23.493 5.599 1.00 63.43 H new ATOM 0 HD1 PHE A 47 4.155 23.651 4.568 1.00 53.05 H new ATOM 0 HD2 PHE A 47 2.635 25.933 7.828 1.00 74.13 H new ATOM 0 HE1 PHE A 47 6.443 23.990 5.394 1.00 1.41 H new ATOM 0 HE2 PHE A 47 4.922 26.275 8.657 1.00 74.13 H new ATOM 0 HZ PHE A 47 6.832 25.302 7.443 1.00 75.52 H new ATOM 741 N SER A 48 -0.369 23.870 3.654 1.00 0.01 N ATOM 742 CA SER A 48 -1.149 22.910 2.881 1.00 3.33 C ATOM 743 C SER A 48 -1.091 23.237 1.392 1.00 14.32 C ATOM 744 O SER A 48 -0.887 22.354 0.559 1.00 3.40 O ATOM 745 CB SER A 48 -2.603 22.901 3.357 1.00 4.24 C ATOM 746 OG SER A 48 -3.351 21.899 2.692 1.00 60.40 O ATOM 0 H SER A 48 -0.876 24.300 4.428 1.00 0.01 H new ATOM 0 HA SER A 48 -0.718 21.921 3.035 1.00 3.33 H new ATOM 0 HB2 SER A 48 -2.636 22.730 4.433 1.00 4.24 H new ATOM 0 HB3 SER A 48 -3.054 23.877 3.176 1.00 4.24 H new ATOM 0 HG SER A 48 -4.276 21.913 3.015 1.00 60.40 H new ATOM 752 N ARG A 49 -1.274 24.513 1.066 1.00 62.45 N ATOM 753 CA ARG A 49 -1.244 24.957 -0.323 1.00 13.44 C ATOM 754 C ARG A 49 -0.043 24.369 -1.057 1.00 1.14 C ATOM 755 O ARG A 49 -0.157 23.932 -2.201 1.00 65.21 O ATOM 756 CB ARG A 49 -1.199 26.485 -0.390 1.00 43.00 C ATOM 757 CG ARG A 49 -1.703 27.052 -1.707 1.00 60.21 C ATOM 758 CD ARG A 49 -0.917 28.286 -2.120 1.00 3.32 C ATOM 759 NE ARG A 49 -1.015 28.543 -3.554 1.00 44.41 N ATOM 760 CZ ARG A 49 -0.318 29.484 -4.181 1.00 43.42 C ATOM 761 NH1 ARG A 49 0.524 30.253 -3.504 1.00 12.11 N ATOM 762 NH2 ARG A 49 -0.462 29.658 -5.489 1.00 24.31 N ATOM 0 H ARG A 49 -1.444 25.256 1.744 1.00 62.45 H new ATOM 0 HA ARG A 49 -2.153 24.605 -0.811 1.00 13.44 H new ATOM 0 HB2 ARG A 49 -1.797 26.894 0.424 1.00 43.00 H new ATOM 0 HB3 ARG A 49 -0.173 26.817 -0.230 1.00 43.00 H new ATOM 0 HG2 ARG A 49 -1.625 26.292 -2.485 1.00 60.21 H new ATOM 0 HG3 ARG A 49 -2.759 27.306 -1.615 1.00 60.21 H new ATOM 0 HD2 ARG A 49 -1.287 29.152 -1.571 1.00 3.32 H new ATOM 0 HD3 ARG A 49 0.130 28.157 -1.846 1.00 3.32 H new ATOM 0 HE ARG A 49 -1.653 27.969 -4.104 1.00 44.41 H new ATOM 0 HH11 ARG A 49 0.638 30.123 -2.499 1.00 12.11 H new ATOM 0 HH12 ARG A 49 1.058 30.975 -3.989 1.00 12.11 H new ATOM 0 HH21 ARG A 49 -1.108 29.069 -6.014 1.00 24.31 H new ATOM 0 HH22 ARG A 49 0.074 30.381 -5.969 1.00 24.31 H new ATOM 776 N GLU A 50 1.107 24.363 -0.389 1.00 71.14 N ATOM 777 CA GLU A 50 2.329 23.830 -0.980 1.00 20.43 C ATOM 778 C GLU A 50 2.351 22.306 -0.902 1.00 32.21 C ATOM 779 O GLU A 50 2.926 21.637 -1.761 1.00 33.32 O ATOM 780 CB GLU A 50 3.557 24.405 -0.271 1.00 42.14 C ATOM 781 CG GLU A 50 4.384 25.334 -1.144 1.00 53.15 C ATOM 782 CD GLU A 50 5.847 24.940 -1.194 1.00 61.20 C ATOM 783 OE1 GLU A 50 6.396 24.837 -2.311 1.00 75.34 O ATOM 784 OE2 GLU A 50 6.444 24.734 -0.117 1.00 14.25 O ATOM 0 H GLU A 50 1.218 24.721 0.560 1.00 71.14 H new ATOM 0 HA GLU A 50 2.353 24.124 -2.029 1.00 20.43 H new ATOM 0 HB2 GLU A 50 3.233 24.948 0.617 1.00 42.14 H new ATOM 0 HB3 GLU A 50 4.187 23.584 0.070 1.00 42.14 H new ATOM 0 HG2 GLU A 50 3.977 25.334 -2.155 1.00 53.15 H new ATOM 0 HG3 GLU A 50 4.299 26.353 -0.766 1.00 53.15 H new ATOM 791 N LYS A 51 1.721 21.763 0.135 1.00 51.24 N ATOM 792 CA LYS A 51 1.666 20.319 0.327 1.00 60.14 C ATOM 793 C LYS A 51 0.970 19.640 -0.849 1.00 31.24 C ATOM 794 O LYS A 51 1.257 18.487 -1.172 1.00 45.35 O ATOM 795 CB LYS A 51 0.935 19.984 1.629 1.00 50.23 C ATOM 796 CG LYS A 51 -0.537 19.663 1.435 1.00 40.52 C ATOM 797 CD LYS A 51 -0.759 18.177 1.208 1.00 2.43 C ATOM 798 CE LYS A 51 -2.103 17.909 0.550 1.00 71.54 C ATOM 799 NZ LYS A 51 -2.392 16.451 0.453 1.00 65.25 N ATOM 0 H LYS A 51 1.241 22.302 0.856 1.00 51.24 H new ATOM 0 HA LYS A 51 2.689 19.946 0.386 1.00 60.14 H new ATOM 0 HB2 LYS A 51 1.425 19.133 2.102 1.00 50.23 H new ATOM 0 HB3 LYS A 51 1.027 20.826 2.315 1.00 50.23 H new ATOM 0 HG2 LYS A 51 -1.099 19.986 2.311 1.00 40.52 H new ATOM 0 HG3 LYS A 51 -0.923 20.224 0.584 1.00 40.52 H new ATOM 0 HD2 LYS A 51 0.040 17.780 0.581 1.00 2.43 H new ATOM 0 HD3 LYS A 51 -0.708 17.651 2.161 1.00 2.43 H new ATOM 0 HE2 LYS A 51 -2.891 18.398 1.122 1.00 71.54 H new ATOM 0 HE3 LYS A 51 -2.113 18.348 -0.447 1.00 71.54 H new ATOM 0 HZ1 LYS A 51 -3.317 16.310 -0.001 1.00 65.25 H new ATOM 0 HZ2 LYS A 51 -1.654 15.988 -0.114 1.00 65.25 H new ATOM 0 HZ3 LYS A 51 -2.408 16.036 1.406 1.00 65.25 H new ATOM 813 N LYS A 52 0.054 20.362 -1.485 1.00 33.30 N ATOM 814 CA LYS A 52 -0.682 19.831 -2.626 1.00 71.24 C ATOM 815 C LYS A 52 0.135 19.959 -3.908 1.00 24.42 C ATOM 816 O LYS A 52 0.347 18.977 -4.622 1.00 0.42 O ATOM 817 CB LYS A 52 -2.016 20.563 -2.785 1.00 13.52 C ATOM 818 CG LYS A 52 -2.783 20.167 -4.035 1.00 11.24 C ATOM 819 CD LYS A 52 -3.291 18.738 -3.948 1.00 22.35 C ATOM 820 CE LYS A 52 -4.656 18.671 -3.280 1.00 61.31 C ATOM 821 NZ LYS A 52 -5.419 17.462 -3.697 1.00 63.34 N ATOM 0 H LYS A 52 -0.197 21.317 -1.229 1.00 33.30 H new ATOM 0 HA LYS A 52 -0.874 18.774 -2.442 1.00 71.24 H new ATOM 0 HB2 LYS A 52 -2.636 20.365 -1.911 1.00 13.52 H new ATOM 0 HB3 LYS A 52 -1.831 21.637 -2.808 1.00 13.52 H new ATOM 0 HG2 LYS A 52 -3.624 20.845 -4.177 1.00 11.24 H new ATOM 0 HG3 LYS A 52 -2.138 20.272 -4.907 1.00 11.24 H new ATOM 0 HD2 LYS A 52 -3.353 18.311 -4.949 1.00 22.35 H new ATOM 0 HD3 LYS A 52 -2.580 18.132 -3.387 1.00 22.35 H new ATOM 0 HE2 LYS A 52 -4.531 18.666 -2.197 1.00 61.31 H new ATOM 0 HE3 LYS A 52 -5.227 19.565 -3.530 1.00 61.31 H new ATOM 0 HZ1 LYS A 52 -6.343 17.453 -3.220 1.00 63.34 H new ATOM 0 HZ2 LYS A 52 -5.561 17.479 -4.727 1.00 63.34 H new ATOM 0 HZ3 LYS A 52 -4.886 16.608 -3.435 1.00 63.34 H new ATOM 835 N LEU A 53 0.594 21.172 -4.193 1.00 53.41 N ATOM 836 CA LEU A 53 1.390 21.428 -5.388 1.00 41.13 C ATOM 837 C LEU A 53 2.564 20.459 -5.478 1.00 61.42 C ATOM 838 O LEU A 53 3.041 20.143 -6.569 1.00 51.44 O ATOM 839 CB LEU A 53 1.903 22.869 -5.385 1.00 1.24 C ATOM 840 CG LEU A 53 2.921 23.222 -6.470 1.00 11.22 C ATOM 841 CD1 LEU A 53 2.556 24.540 -7.136 1.00 33.32 C ATOM 842 CD2 LEU A 53 4.324 23.289 -5.884 1.00 14.53 C ATOM 0 H LEU A 53 0.429 21.994 -3.613 1.00 53.41 H new ATOM 0 HA LEU A 53 0.751 21.278 -6.258 1.00 41.13 H new ATOM 0 HB2 LEU A 53 1.048 23.538 -5.486 1.00 1.24 H new ATOM 0 HB3 LEU A 53 2.353 23.071 -4.413 1.00 1.24 H new ATOM 0 HG LEU A 53 2.902 22.438 -7.227 1.00 11.22 H new ATOM 0 HD11 LEU A 53 3.292 24.775 -7.905 1.00 33.32 H new ATOM 0 HD12 LEU A 53 1.569 24.457 -7.591 1.00 33.32 H new ATOM 0 HD13 LEU A 53 2.545 25.334 -6.390 1.00 33.32 H new ATOM 0 HD21 LEU A 53 5.035 23.541 -6.671 1.00 14.53 H new ATOM 0 HD22 LEU A 53 4.357 24.052 -5.106 1.00 14.53 H new ATOM 0 HD23 LEU A 53 4.586 22.322 -5.455 1.00 14.53 H new ATOM 854 N LEU A 54 3.025 19.987 -4.325 1.00 13.11 N ATOM 855 CA LEU A 54 4.142 19.051 -4.273 1.00 21.43 C ATOM 856 C LEU A 54 3.707 17.658 -4.719 1.00 42.41 C ATOM 857 O LEU A 54 4.246 17.108 -5.679 1.00 13.11 O ATOM 858 CB LEU A 54 4.715 18.988 -2.856 1.00 4.51 C ATOM 859 CG LEU A 54 5.860 17.999 -2.638 1.00 22.42 C ATOM 860 CD1 LEU A 54 5.316 16.606 -2.361 1.00 21.31 C ATOM 861 CD2 LEU A 54 6.787 17.981 -3.845 1.00 21.14 C ATOM 0 H LEU A 54 2.642 20.237 -3.413 1.00 13.11 H new ATOM 0 HA LEU A 54 4.914 19.407 -4.956 1.00 21.43 H new ATOM 0 HB2 LEU A 54 5.065 19.984 -2.583 1.00 4.51 H new ATOM 0 HB3 LEU A 54 3.907 18.734 -2.170 1.00 4.51 H new ATOM 0 HG LEU A 54 6.434 18.323 -1.769 1.00 22.42 H new ATOM 0 HD11 LEU A 54 6.145 15.915 -2.208 1.00 21.31 H new ATOM 0 HD12 LEU A 54 4.694 16.630 -1.466 1.00 21.31 H new ATOM 0 HD13 LEU A 54 4.718 16.273 -3.210 1.00 21.31 H new ATOM 0 HD21 LEU A 54 7.596 17.271 -3.672 1.00 21.14 H new ATOM 0 HD22 LEU A 54 6.226 17.682 -4.730 1.00 21.14 H new ATOM 0 HD23 LEU A 54 7.204 18.976 -3.998 1.00 21.14 H new ATOM 873 N GLU A 55 2.728 17.096 -4.017 1.00 3.31 N ATOM 874 CA GLU A 55 2.221 15.769 -4.343 1.00 35.23 C ATOM 875 C GLU A 55 1.519 15.772 -5.698 1.00 21.01 C ATOM 876 O GLU A 55 1.175 14.717 -6.233 1.00 50.52 O ATOM 877 CB GLU A 55 1.255 15.287 -3.258 1.00 1.24 C ATOM 878 CG GLU A 55 1.322 13.791 -3.004 1.00 70.40 C ATOM 879 CD GLU A 55 -0.007 13.215 -2.555 1.00 51.01 C ATOM 880 OE1 GLU A 55 -0.685 13.863 -1.730 1.00 21.31 O ATOM 881 OE2 GLU A 55 -0.369 12.118 -3.028 1.00 73.32 O ATOM 0 H GLU A 55 2.271 17.539 -3.220 1.00 3.31 H new ATOM 0 HA GLU A 55 3.070 15.087 -4.394 1.00 35.23 H new ATOM 0 HB2 GLU A 55 1.473 15.815 -2.329 1.00 1.24 H new ATOM 0 HB3 GLU A 55 0.238 15.553 -3.545 1.00 1.24 H new ATOM 0 HG2 GLU A 55 1.643 13.286 -3.915 1.00 70.40 H new ATOM 0 HG3 GLU A 55 2.077 13.589 -2.244 1.00 70.40 H new