USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 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 Set 1.1: A 17 TYR OH : rot 30:sc= 1.01 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -172:sc= 1.2 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 1.41 USER MOD Single : A 12 ASN : amide:sc= -1.91! X(o=-1.9!,f=-2.2) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.16) USER MOD Single : A 28 SER OG : rot -50:sc= 0.204 USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.014) USER MOD Single : A 38 ASN : amide:sc= -0.679 K(o=-0.68,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.2!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 87:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 8.754 -3.528 2.467 1.00 64.40 N ATOM 21 CA ILE A 2 7.536 -3.556 1.670 1.00 73.24 C ATOM 22 C ILE A 2 7.893 -3.821 0.211 1.00 22.11 C ATOM 23 O ILE A 2 8.900 -3.317 -0.284 1.00 33.13 O ATOM 24 CB ILE A 2 6.746 -2.228 1.776 1.00 74.45 C ATOM 25 CG1 ILE A 2 6.500 -1.868 3.248 1.00 44.42 C ATOM 26 CG2 ILE A 2 5.422 -2.330 1.025 1.00 52.01 C ATOM 27 CD1 ILE A 2 5.763 -0.560 3.448 1.00 72.14 C ATOM 0 HA ILE A 2 6.900 -4.353 2.056 1.00 73.24 H new ATOM 0 HB ILE A 2 7.340 -1.437 1.319 1.00 74.45 H new ATOM 0 HG12 ILE A 2 5.930 -2.670 3.717 1.00 44.42 H new ATOM 0 HG13 ILE A 2 7.459 -1.815 3.764 1.00 44.42 H new ATOM 0 HG21 ILE A 2 4.881 -1.387 1.111 1.00 52.01 H new ATOM 0 HG22 ILE A 2 5.616 -2.543 -0.026 1.00 52.01 H new ATOM 0 HG23 ILE A 2 4.822 -3.133 1.453 1.00 52.01 H new ATOM 0 HD11 ILE A 2 5.629 -0.377 4.514 1.00 72.14 H new ATOM 0 HD12 ILE A 2 6.341 0.254 3.011 1.00 72.14 H new ATOM 0 HD13 ILE A 2 4.788 -0.614 2.963 1.00 72.14 H new ATOM 39 N PHE A 3 7.083 -4.619 -0.464 1.00 22.31 N ATOM 40 CA PHE A 3 7.352 -4.990 -1.838 1.00 62.24 C ATOM 41 C PHE A 3 6.269 -4.452 -2.772 1.00 74.42 C ATOM 42 O PHE A 3 5.115 -4.291 -2.368 1.00 24.44 O ATOM 43 CB PHE A 3 7.455 -6.513 -1.952 1.00 10.30 C ATOM 44 CG PHE A 3 6.269 -7.267 -1.407 1.00 15.22 C ATOM 45 CD1 PHE A 3 6.208 -7.615 -0.066 1.00 1.12 C ATOM 46 CD2 PHE A 3 5.222 -7.637 -2.237 1.00 2.12 C ATOM 47 CE1 PHE A 3 5.127 -8.315 0.436 1.00 1.34 C ATOM 48 CE2 PHE A 3 4.137 -8.336 -1.740 1.00 71.33 C ATOM 49 CZ PHE A 3 4.090 -8.676 -0.403 1.00 33.10 C ATOM 0 H PHE A 3 6.230 -5.023 -0.078 1.00 22.31 H new ATOM 0 HA PHE A 3 8.301 -4.546 -2.140 1.00 62.24 H new ATOM 0 HB2 PHE A 3 7.585 -6.777 -3.001 1.00 10.30 H new ATOM 0 HB3 PHE A 3 8.351 -6.843 -1.427 1.00 10.30 H new ATOM 0 HD1 PHE A 3 7.015 -7.336 0.595 1.00 1.12 H new ATOM 0 HD2 PHE A 3 5.254 -7.376 -3.285 1.00 2.12 H new ATOM 0 HE1 PHE A 3 5.093 -8.579 1.483 1.00 1.34 H new ATOM 0 HE2 PHE A 3 3.327 -8.616 -2.397 1.00 71.33 H new ATOM 0 HZ PHE A 3 3.244 -9.223 -0.013 1.00 33.10 H new ATOM 59 N PRO A 4 6.635 -4.141 -4.026 1.00 14.44 N ATOM 60 CA PRO A 4 5.680 -3.679 -5.035 1.00 51.23 C ATOM 61 C PRO A 4 4.619 -4.735 -5.335 1.00 64.25 C ATOM 62 O PRO A 4 4.911 -5.931 -5.365 1.00 45.22 O ATOM 63 CB PRO A 4 6.550 -3.421 -6.271 1.00 41.30 C ATOM 64 CG PRO A 4 7.940 -3.298 -5.750 1.00 1.34 C ATOM 65 CD PRO A 4 8.004 -4.205 -4.556 1.00 53.31 C ATOM 0 HA PRO A 4 5.129 -2.798 -4.706 1.00 51.23 H new ATOM 0 HB2 PRO A 4 6.469 -4.238 -6.988 1.00 41.30 H new ATOM 0 HB3 PRO A 4 6.241 -2.512 -6.788 1.00 41.30 H new ATOM 0 HG2 PRO A 4 8.669 -3.592 -6.505 1.00 1.34 H new ATOM 0 HG3 PRO A 4 8.165 -2.268 -5.473 1.00 1.34 H new ATOM 0 HD2 PRO A 4 8.283 -5.221 -4.834 1.00 53.31 H new ATOM 0 HD3 PRO A 4 8.737 -3.862 -3.826 1.00 53.31 H new ATOM 73 N GLY A 5 3.394 -4.284 -5.559 1.00 41.42 N ATOM 74 CA GLY A 5 2.296 -5.197 -5.799 1.00 54.22 C ATOM 75 C GLY A 5 1.497 -5.473 -4.540 1.00 13.42 C ATOM 76 O GLY A 5 0.443 -6.108 -4.590 1.00 33.11 O ATOM 0 H GLY A 5 3.140 -3.296 -5.579 1.00 41.42 H new ATOM 0 HA2 GLY A 5 1.638 -4.779 -6.561 1.00 54.22 H new ATOM 0 HA3 GLY A 5 2.685 -6.136 -6.194 1.00 54.22 H new ATOM 80 N ALA A 6 1.995 -4.992 -3.411 1.00 53.32 N ATOM 81 CA ALA A 6 1.320 -5.194 -2.139 1.00 54.44 C ATOM 82 C ALA A 6 0.310 -4.089 -1.881 1.00 61.24 C ATOM 83 O ALA A 6 0.535 -2.928 -2.236 1.00 4.52 O ATOM 84 CB ALA A 6 2.331 -5.261 -1.006 1.00 75.15 C ATOM 0 H ALA A 6 2.863 -4.460 -3.350 1.00 53.32 H new ATOM 0 HA ALA A 6 0.784 -6.142 -2.186 1.00 54.44 H new ATOM 0 HB1 ALA A 6 1.809 -5.412 -0.061 1.00 75.15 H new ATOM 0 HB2 ALA A 6 3.017 -6.090 -1.179 1.00 75.15 H new ATOM 0 HB3 ALA A 6 2.893 -4.328 -0.964 1.00 75.15 H new ATOM 90 N THR A 7 -0.805 -4.460 -1.273 1.00 52.52 N ATOM 91 CA THR A 7 -1.837 -3.505 -0.918 1.00 42.45 C ATOM 92 C THR A 7 -1.460 -2.790 0.372 1.00 4.03 C ATOM 93 O THR A 7 -1.191 -3.432 1.392 1.00 74.12 O ATOM 94 CB THR A 7 -3.186 -4.212 -0.723 1.00 53.14 C ATOM 95 OG1 THR A 7 -3.327 -5.257 -1.697 1.00 40.32 O ATOM 96 CG2 THR A 7 -4.342 -3.231 -0.855 1.00 61.14 C ATOM 0 H THR A 7 -1.017 -5.424 -1.014 1.00 52.52 H new ATOM 0 HA THR A 7 -1.927 -2.783 -1.729 1.00 42.45 H new ATOM 0 HB THR A 7 -3.209 -4.636 0.281 1.00 53.14 H new ATOM 0 HG1 THR A 7 -4.188 -5.708 -1.570 1.00 40.32 H new ATOM 0 HG21 THR A 7 -5.285 -3.759 -0.712 1.00 61.14 H new ATOM 0 HG22 THR A 7 -4.245 -2.451 -0.100 1.00 61.14 H new ATOM 0 HG23 THR A 7 -4.325 -2.780 -1.847 1.00 61.14 H new ATOM 104 N VAL A 8 -1.432 -1.471 0.329 1.00 42.20 N ATOM 105 CA VAL A 8 -1.035 -0.680 1.479 1.00 5.11 C ATOM 106 C VAL A 8 -2.047 0.421 1.771 1.00 42.14 C ATOM 107 O VAL A 8 -2.702 0.946 0.867 1.00 3.32 O ATOM 108 CB VAL A 8 0.360 -0.043 1.287 1.00 30.04 C ATOM 109 CG1 VAL A 8 1.447 -1.106 1.288 1.00 33.04 C ATOM 110 CG2 VAL A 8 0.413 0.775 0.003 1.00 2.34 C ATOM 0 H VAL A 8 -1.681 -0.923 -0.494 1.00 42.20 H new ATOM 0 HA VAL A 8 -0.994 -1.367 2.324 1.00 5.11 H new ATOM 0 HB VAL A 8 0.539 0.629 2.127 1.00 30.04 H new ATOM 0 HG11 VAL A 8 2.419 -0.632 1.151 1.00 33.04 H new ATOM 0 HG12 VAL A 8 1.434 -1.639 2.239 1.00 33.04 H new ATOM 0 HG13 VAL A 8 1.269 -1.810 0.475 1.00 33.04 H new ATOM 0 HG21 VAL A 8 1.405 1.213 -0.109 1.00 2.34 H new ATOM 0 HG22 VAL A 8 0.203 0.129 -0.849 1.00 2.34 H new ATOM 0 HG23 VAL A 8 -0.331 1.570 0.047 1.00 2.34 H new ATOM 120 N ARG A 9 -2.176 0.745 3.044 1.00 52.30 N ATOM 121 CA ARG A 9 -3.016 1.845 3.484 1.00 20.34 C ATOM 122 C ARG A 9 -2.139 2.958 4.034 1.00 62.43 C ATOM 123 O ARG A 9 -1.209 2.695 4.794 1.00 22.44 O ATOM 124 CB ARG A 9 -3.990 1.364 4.568 1.00 40.45 C ATOM 125 CG ARG A 9 -4.908 2.452 5.102 1.00 14.44 C ATOM 126 CD ARG A 9 -5.741 1.957 6.275 1.00 52.30 C ATOM 127 NE ARG A 9 -4.917 1.625 7.438 1.00 10.25 N ATOM 128 CZ ARG A 9 -5.320 0.836 8.436 1.00 51.03 C ATOM 129 NH1 ARG A 9 -6.525 0.272 8.407 1.00 61.31 N ATOM 130 NH2 ARG A 9 -4.511 0.602 9.462 1.00 62.11 N ATOM 0 H ARG A 9 -1.702 0.254 3.802 1.00 52.30 H new ATOM 0 HA ARG A 9 -3.592 2.219 2.638 1.00 20.34 H new ATOM 0 HB2 ARG A 9 -4.599 0.556 4.162 1.00 40.45 H new ATOM 0 HB3 ARG A 9 -3.418 0.947 5.397 1.00 40.45 H new ATOM 0 HG2 ARG A 9 -4.313 3.310 5.414 1.00 14.44 H new ATOM 0 HG3 ARG A 9 -5.568 2.795 4.305 1.00 14.44 H new ATOM 0 HD2 ARG A 9 -6.466 2.722 6.552 1.00 52.30 H new ATOM 0 HD3 ARG A 9 -6.307 1.077 5.970 1.00 52.30 H new ATOM 0 HE ARG A 9 -3.978 2.020 7.489 1.00 10.25 H new ATOM 0 HH11 ARG A 9 -7.149 0.441 7.618 1.00 61.31 H new ATOM 0 HH12 ARG A 9 -6.825 -0.330 9.174 1.00 61.31 H new ATOM 0 HH21 ARG A 9 -3.583 1.025 9.487 1.00 62.11 H new ATOM 0 HH22 ARG A 9 -4.817 -0.001 10.226 1.00 62.11 H new ATOM 144 N VAL A 10 -2.411 4.189 3.635 1.00 21.31 N ATOM 145 CA VAL A 10 -1.671 5.327 4.160 1.00 64.22 C ATOM 146 C VAL A 10 -2.219 5.704 5.529 1.00 11.12 C ATOM 147 O VAL A 10 -3.276 6.326 5.642 1.00 51.24 O ATOM 148 CB VAL A 10 -1.735 6.547 3.219 1.00 61.13 C ATOM 149 CG1 VAL A 10 -0.883 7.690 3.755 1.00 43.01 C ATOM 150 CG2 VAL A 10 -1.284 6.165 1.819 1.00 21.22 C ATOM 0 H VAL A 10 -3.133 4.426 2.955 1.00 21.31 H new ATOM 0 HA VAL A 10 -0.625 5.032 4.242 1.00 64.22 H new ATOM 0 HB VAL A 10 -2.771 6.884 3.172 1.00 61.13 H new ATOM 0 HG11 VAL A 10 -0.944 8.539 3.075 1.00 43.01 H new ATOM 0 HG12 VAL A 10 -1.248 7.986 4.738 1.00 43.01 H new ATOM 0 HG13 VAL A 10 0.154 7.364 3.836 1.00 43.01 H new ATOM 0 HG21 VAL A 10 -1.336 7.038 1.169 1.00 21.22 H new ATOM 0 HG22 VAL A 10 -0.258 5.799 1.854 1.00 21.22 H new ATOM 0 HG23 VAL A 10 -1.934 5.383 1.428 1.00 21.22 H new ATOM 160 N THR A 11 -1.513 5.291 6.567 1.00 64.45 N ATOM 161 CA THR A 11 -1.953 5.538 7.928 1.00 51.43 C ATOM 162 C THR A 11 -1.152 6.680 8.551 1.00 1.02 C ATOM 163 O THR A 11 -1.182 6.895 9.764 1.00 63.23 O ATOM 164 CB THR A 11 -1.828 4.261 8.783 1.00 44.13 C ATOM 165 OG1 THR A 11 -2.289 3.129 8.030 1.00 22.52 O ATOM 166 CG2 THR A 11 -2.653 4.369 10.059 1.00 62.41 C ATOM 0 H THR A 11 -0.632 4.783 6.493 1.00 64.45 H new ATOM 0 HA THR A 11 -3.003 5.828 7.899 1.00 51.43 H new ATOM 0 HB THR A 11 -0.779 4.138 9.051 1.00 44.13 H new ATOM 0 HG1 THR A 11 -2.204 2.318 8.573 1.00 22.52 H new ATOM 0 HG21 THR A 11 -2.545 3.454 10.641 1.00 62.41 H new ATOM 0 HG22 THR A 11 -2.303 5.217 10.648 1.00 62.41 H new ATOM 0 HG23 THR A 11 -3.702 4.514 9.803 1.00 62.41 H new ATOM 174 N ASN A 12 -0.433 7.417 7.711 1.00 24.32 N ATOM 175 CA ASN A 12 0.247 8.623 8.161 1.00 23.31 C ATOM 176 C ASN A 12 -0.800 9.610 8.666 1.00 71.43 C ATOM 177 O ASN A 12 -1.557 10.178 7.880 1.00 44.14 O ATOM 178 CB ASN A 12 1.077 9.238 7.027 1.00 23.34 C ATOM 179 CG ASN A 12 1.869 10.457 7.473 1.00 21.34 C ATOM 180 OD1 ASN A 12 2.244 10.581 8.640 1.00 23.51 O ATOM 181 ND2 ASN A 12 2.142 11.364 6.547 1.00 43.30 N ATOM 0 H ASN A 12 -0.307 7.201 6.722 1.00 24.32 H new ATOM 0 HA ASN A 12 0.936 8.376 8.968 1.00 23.31 H new ATOM 0 HB2 ASN A 12 1.764 8.487 6.636 1.00 23.34 H new ATOM 0 HB3 ASN A 12 0.414 9.520 6.209 1.00 23.34 H new ATOM 0 HD21 ASN A 12 2.678 12.197 6.791 1.00 43.30 H new ATOM 0 HD22 ASN A 12 1.816 11.230 5.590 1.00 43.30 H new ATOM 188 N VAL A 13 -0.845 9.790 9.983 1.00 54.42 N ATOM 189 CA VAL A 13 -1.938 10.502 10.638 1.00 74.12 C ATOM 190 C VAL A 13 -2.132 11.906 10.077 1.00 45.20 C ATOM 191 O VAL A 13 -3.248 12.303 9.753 1.00 44.32 O ATOM 192 CB VAL A 13 -1.708 10.595 12.159 1.00 61.31 C ATOM 193 CG1 VAL A 13 -2.885 11.266 12.848 1.00 72.23 C ATOM 194 CG2 VAL A 13 -1.457 9.217 12.749 1.00 43.42 C ATOM 0 H VAL A 13 -0.129 9.448 10.624 1.00 54.42 H new ATOM 0 HA VAL A 13 -2.840 9.924 10.439 1.00 74.12 H new ATOM 0 HB VAL A 13 -0.823 11.208 12.329 1.00 61.31 H new ATOM 0 HG11 VAL A 13 -2.697 11.319 13.920 1.00 72.23 H new ATOM 0 HG12 VAL A 13 -3.012 12.273 12.452 1.00 72.23 H new ATOM 0 HG13 VAL A 13 -3.791 10.688 12.667 1.00 72.23 H new ATOM 0 HG21 VAL A 13 -1.297 9.305 13.824 1.00 43.42 H new ATOM 0 HG22 VAL A 13 -2.320 8.578 12.562 1.00 43.42 H new ATOM 0 HG23 VAL A 13 -0.574 8.778 12.285 1.00 43.42 H new ATOM 204 N ASP A 14 -1.043 12.641 9.934 1.00 71.32 N ATOM 205 CA ASP A 14 -1.118 14.032 9.510 1.00 52.21 C ATOM 206 C ASP A 14 -0.836 14.152 8.014 1.00 60.55 C ATOM 207 O ASP A 14 -0.142 15.061 7.565 1.00 53.22 O ATOM 208 CB ASP A 14 -0.128 14.880 10.318 1.00 24.35 C ATOM 209 CG ASP A 14 -0.391 16.369 10.200 1.00 4.31 C ATOM 210 OD1 ASP A 14 -1.428 16.834 10.716 1.00 13.42 O ATOM 211 OD2 ASP A 14 0.449 17.085 9.614 1.00 71.53 O ATOM 0 H ASP A 14 -0.097 12.300 10.104 1.00 71.32 H new ATOM 0 HA ASP A 14 -2.126 14.402 9.695 1.00 52.21 H new ATOM 0 HB2 ASP A 14 -0.180 14.589 11.367 1.00 24.35 H new ATOM 0 HB3 ASP A 14 0.886 14.667 9.979 1.00 24.35 H new ATOM 216 N ASP A 15 -1.370 13.217 7.243 1.00 12.35 N ATOM 217 CA ASP A 15 -1.221 13.253 5.790 1.00 44.12 C ATOM 218 C ASP A 15 -2.559 13.568 5.134 1.00 72.23 C ATOM 219 O ASP A 15 -3.612 13.397 5.752 1.00 52.45 O ATOM 220 CB ASP A 15 -0.699 11.912 5.268 1.00 74.41 C ATOM 221 CG ASP A 15 -0.029 12.033 3.913 1.00 43.22 C ATOM 222 OD1 ASP A 15 -0.739 12.204 2.900 1.00 41.34 O ATOM 223 OD2 ASP A 15 1.219 11.962 3.864 1.00 43.24 O ATOM 0 H ASP A 15 -1.909 12.425 7.594 1.00 12.35 H new ATOM 0 HA ASP A 15 -0.502 14.033 5.540 1.00 44.12 H new ATOM 0 HB2 ASP A 15 0.011 11.499 5.985 1.00 74.41 H new ATOM 0 HB3 ASP A 15 -1.527 11.207 5.198 1.00 74.41 H new ATOM 228 N THR A 16 -2.520 14.010 3.885 1.00 10.45 N ATOM 229 CA THR A 16 -3.734 14.308 3.140 1.00 10.10 C ATOM 230 C THR A 16 -4.331 13.021 2.572 1.00 45.05 C ATOM 231 O THR A 16 -5.530 12.938 2.294 1.00 62.31 O ATOM 232 CB THR A 16 -3.447 15.295 1.991 1.00 70.31 C ATOM 233 OG1 THR A 16 -2.752 16.442 2.497 1.00 63.40 O ATOM 234 CG2 THR A 16 -4.734 15.742 1.320 1.00 43.42 C ATOM 0 H THR A 16 -1.657 14.170 3.365 1.00 10.45 H new ATOM 0 HA THR A 16 -4.447 14.768 3.825 1.00 10.10 H new ATOM 0 HB THR A 16 -2.830 14.784 1.252 1.00 70.31 H new ATOM 0 HG1 THR A 16 -2.571 17.065 1.763 1.00 63.40 H new ATOM 0 HG21 THR A 16 -4.501 16.438 0.514 1.00 43.42 H new ATOM 0 HG22 THR A 16 -5.252 14.874 0.912 1.00 43.42 H new ATOM 0 HG23 THR A 16 -5.373 16.236 2.052 1.00 43.42 H new ATOM 242 N TYR A 17 -3.485 12.015 2.416 1.00 0.51 N ATOM 243 CA TYR A 17 -3.921 10.728 1.904 1.00 41.31 C ATOM 244 C TYR A 17 -4.153 9.745 3.039 1.00 35.44 C ATOM 245 O TYR A 17 -4.106 8.530 2.844 1.00 35.24 O ATOM 246 CB TYR A 17 -2.898 10.168 0.918 1.00 54.41 C ATOM 247 CG TYR A 17 -2.894 10.889 -0.412 1.00 52.52 C ATOM 248 CD1 TYR A 17 -2.143 12.042 -0.598 1.00 65.21 C ATOM 249 CD2 TYR A 17 -3.645 10.415 -1.481 1.00 21.42 C ATOM 250 CE1 TYR A 17 -2.140 12.702 -1.811 1.00 11.14 C ATOM 251 CE2 TYR A 17 -3.647 11.072 -2.696 1.00 22.51 C ATOM 252 CZ TYR A 17 -2.894 12.212 -2.855 1.00 70.11 C ATOM 253 OH TYR A 17 -2.898 12.869 -4.062 1.00 54.44 O ATOM 0 H TYR A 17 -2.491 12.066 2.637 1.00 0.51 H new ATOM 0 HA TYR A 17 -4.865 10.875 1.380 1.00 41.31 H new ATOM 0 HB2 TYR A 17 -1.904 10.231 1.361 1.00 54.41 H new ATOM 0 HB3 TYR A 17 -3.106 9.111 0.750 1.00 54.41 H new ATOM 0 HD1 TYR A 17 -1.552 12.429 0.219 1.00 65.21 H new ATOM 0 HD2 TYR A 17 -4.236 9.519 -1.360 1.00 21.42 H new ATOM 0 HE1 TYR A 17 -1.550 13.597 -1.941 1.00 11.14 H new ATOM 0 HE2 TYR A 17 -4.237 10.692 -3.517 1.00 22.51 H new ATOM 0 HH TYR A 17 -2.037 13.318 -4.193 1.00 54.44 H new ATOM 263 N TYR A 18 -4.431 10.277 4.218 1.00 12.02 N ATOM 264 CA TYR A 18 -4.729 9.451 5.375 1.00 65.03 C ATOM 265 C TYR A 18 -5.990 8.632 5.121 1.00 44.54 C ATOM 266 O TYR A 18 -7.020 9.177 4.714 1.00 51.23 O ATOM 267 CB TYR A 18 -4.893 10.317 6.630 1.00 12.45 C ATOM 268 CG TYR A 18 -5.215 9.523 7.877 1.00 61.11 C ATOM 269 CD1 TYR A 18 -4.353 8.536 8.335 1.00 20.05 C ATOM 270 CD2 TYR A 18 -6.386 9.752 8.589 1.00 74.35 C ATOM 271 CE1 TYR A 18 -4.646 7.802 9.466 1.00 70.20 C ATOM 272 CE2 TYR A 18 -6.687 9.019 9.722 1.00 55.04 C ATOM 273 CZ TYR A 18 -5.811 8.045 10.153 1.00 73.32 C ATOM 274 OH TYR A 18 -6.108 7.305 11.276 1.00 12.04 O ATOM 0 H TYR A 18 -4.456 11.281 4.399 1.00 12.02 H new ATOM 0 HA TYR A 18 -3.895 8.769 5.541 1.00 65.03 H new ATOM 0 HB2 TYR A 18 -3.974 10.880 6.795 1.00 12.45 H new ATOM 0 HB3 TYR A 18 -5.686 11.045 6.458 1.00 12.45 H new ATOM 0 HD1 TYR A 18 -3.437 8.339 7.797 1.00 20.05 H new ATOM 0 HD2 TYR A 18 -7.072 10.515 8.252 1.00 74.35 H new ATOM 0 HE1 TYR A 18 -3.963 7.040 9.810 1.00 70.20 H new ATOM 0 HE2 TYR A 18 -7.601 9.208 10.265 1.00 55.04 H new ATOM 0 HH TYR A 18 -6.966 7.601 11.645 1.00 12.04 H new ATOM 284 N ARG A 19 -5.873 7.323 5.333 1.00 41.55 N ATOM 285 CA ARG A 19 -6.966 6.368 5.136 1.00 1.33 C ATOM 286 C ARG A 19 -7.213 6.068 3.664 1.00 40.43 C ATOM 287 O ARG A 19 -8.209 5.434 3.317 1.00 65.33 O ATOM 288 CB ARG A 19 -8.269 6.826 5.799 1.00 63.14 C ATOM 289 CG ARG A 19 -8.277 6.674 7.308 1.00 71.23 C ATOM 290 CD ARG A 19 -9.679 6.386 7.814 1.00 34.53 C ATOM 291 NE ARG A 19 -10.224 5.164 7.216 1.00 42.20 N ATOM 292 CZ ARG A 19 -11.304 4.524 7.661 1.00 40.11 C ATOM 293 NH1 ARG A 19 -11.971 4.980 8.715 1.00 24.32 N ATOM 294 NH2 ARG A 19 -11.712 3.421 7.046 1.00 0.00 N ATOM 0 H ARG A 19 -5.007 6.888 5.650 1.00 41.55 H new ATOM 0 HA ARG A 19 -6.641 5.449 5.623 1.00 1.33 H new ATOM 0 HB2 ARG A 19 -8.445 7.872 5.548 1.00 63.14 H new ATOM 0 HB3 ARG A 19 -9.098 6.254 5.382 1.00 63.14 H new ATOM 0 HG2 ARG A 19 -7.607 5.865 7.600 1.00 71.23 H new ATOM 0 HG3 ARG A 19 -7.898 7.585 7.772 1.00 71.23 H new ATOM 0 HD2 ARG A 19 -9.662 6.285 8.899 1.00 34.53 H new ATOM 0 HD3 ARG A 19 -10.331 7.228 7.582 1.00 34.53 H new ATOM 0 HE ARG A 19 -9.743 4.777 6.404 1.00 42.20 H new ATOM 0 HH11 ARG A 19 -11.657 5.826 9.190 1.00 24.32 H new ATOM 0 HH12 ARG A 19 -12.797 4.484 9.049 1.00 24.32 H new ATOM 0 HH21 ARG A 19 -11.199 3.068 6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.538 2.926 7.382 1.00 0.00 H new ATOM 308 N PHE A 20 -6.317 6.506 2.795 1.00 41.44 N ATOM 309 CA PHE A 20 -6.384 6.103 1.407 1.00 55.33 C ATOM 310 C PHE A 20 -5.625 4.803 1.222 1.00 20.33 C ATOM 311 O PHE A 20 -4.644 4.535 1.922 1.00 15.33 O ATOM 312 CB PHE A 20 -5.828 7.179 0.485 1.00 61.22 C ATOM 313 CG PHE A 20 -6.780 8.316 0.237 1.00 23.45 C ATOM 314 CD1 PHE A 20 -6.982 9.300 1.193 1.00 52.42 C ATOM 315 CD2 PHE A 20 -7.472 8.401 -0.960 1.00 62.50 C ATOM 316 CE1 PHE A 20 -7.854 10.345 0.959 1.00 11.14 C ATOM 317 CE2 PHE A 20 -8.348 9.443 -1.198 1.00 71.55 C ATOM 318 CZ PHE A 20 -8.539 10.416 -0.239 1.00 1.34 C ATOM 0 H PHE A 20 -5.546 7.132 3.025 1.00 41.44 H new ATOM 0 HA PHE A 20 -7.431 5.956 1.141 1.00 55.33 H new ATOM 0 HB2 PHE A 20 -4.909 7.575 0.917 1.00 61.22 H new ATOM 0 HB3 PHE A 20 -5.562 6.725 -0.470 1.00 61.22 H new ATOM 0 HD1 PHE A 20 -6.451 9.248 2.132 1.00 52.42 H new ATOM 0 HD2 PHE A 20 -7.325 7.644 -1.716 1.00 62.50 H new ATOM 0 HE1 PHE A 20 -8.000 11.106 1.711 1.00 11.14 H new ATOM 0 HE2 PHE A 20 -8.883 9.496 -2.135 1.00 71.55 H new ATOM 0 HZ PHE A 20 -9.222 11.232 -0.424 1.00 1.34 H new ATOM 328 N GLU A 21 -6.088 4.000 0.289 1.00 63.03 N ATOM 329 CA GLU A 21 -5.551 2.667 0.094 1.00 63.35 C ATOM 330 C GLU A 21 -5.183 2.452 -1.366 1.00 10.31 C ATOM 331 O GLU A 21 -5.873 2.927 -2.270 1.00 14.53 O ATOM 332 CB GLU A 21 -6.571 1.624 0.559 1.00 10.52 C ATOM 333 CG GLU A 21 -6.885 1.717 2.044 1.00 22.41 C ATOM 334 CD GLU A 21 -8.040 0.830 2.463 1.00 43.33 C ATOM 335 OE1 GLU A 21 -7.841 -0.396 2.581 1.00 2.34 O ATOM 336 OE2 GLU A 21 -9.151 1.357 2.696 1.00 41.53 O ATOM 0 H GLU A 21 -6.841 4.248 -0.352 1.00 63.03 H new ATOM 0 HA GLU A 21 -4.645 2.557 0.689 1.00 63.35 H new ATOM 0 HB2 GLU A 21 -7.493 1.747 -0.010 1.00 10.52 H new ATOM 0 HB3 GLU A 21 -6.190 0.627 0.336 1.00 10.52 H new ATOM 0 HG2 GLU A 21 -5.998 1.443 2.615 1.00 22.41 H new ATOM 0 HG3 GLU A 21 -7.119 2.751 2.296 1.00 22.41 H new ATOM 343 N GLY A 22 -4.089 1.745 -1.588 1.00 53.14 N ATOM 344 CA GLY A 22 -3.628 1.499 -2.933 1.00 53.41 C ATOM 345 C GLY A 22 -2.564 0.425 -2.972 1.00 31.21 C ATOM 346 O GLY A 22 -2.338 -0.264 -1.976 1.00 2.54 O ATOM 0 H GLY A 22 -3.510 1.335 -0.855 1.00 53.14 H new ATOM 0 HA2 GLY A 22 -4.470 1.200 -3.557 1.00 53.41 H new ATOM 0 HA3 GLY A 22 -3.230 2.421 -3.356 1.00 53.41 H new ATOM 350 N LEU A 23 -1.913 0.275 -4.113 1.00 44.05 N ATOM 351 CA LEU A 23 -0.876 -0.724 -4.273 1.00 72.22 C ATOM 352 C LEU A 23 0.473 -0.070 -4.529 1.00 32.24 C ATOM 353 O LEU A 23 0.574 0.883 -5.306 1.00 65.22 O ATOM 354 CB LEU A 23 -1.218 -1.665 -5.427 1.00 62.23 C ATOM 355 CG LEU A 23 -2.120 -2.854 -5.078 1.00 15.31 C ATOM 356 CD1 LEU A 23 -3.550 -2.402 -4.818 1.00 54.33 C ATOM 357 CD2 LEU A 23 -2.079 -3.888 -6.193 1.00 32.34 C ATOM 0 H LEU A 23 -2.088 0.837 -4.946 1.00 44.05 H new ATOM 0 HA LEU A 23 -0.816 -1.297 -3.348 1.00 72.22 H new ATOM 0 HB2 LEU A 23 -1.703 -1.084 -6.212 1.00 62.23 H new ATOM 0 HB3 LEU A 23 -0.287 -2.050 -5.844 1.00 62.23 H new ATOM 0 HG LEU A 23 -1.744 -3.310 -4.162 1.00 15.31 H new ATOM 0 HD11 LEU A 23 -4.166 -3.267 -4.573 1.00 54.33 H new ATOM 0 HD12 LEU A 23 -3.564 -1.699 -3.985 1.00 54.33 H new ATOM 0 HD13 LEU A 23 -3.946 -1.916 -5.710 1.00 54.33 H new ATOM 0 HD21 LEU A 23 -2.723 -4.728 -5.934 1.00 32.34 H new ATOM 0 HD22 LEU A 23 -2.428 -3.436 -7.121 1.00 32.34 H new ATOM 0 HD23 LEU A 23 -1.056 -4.242 -6.324 1.00 32.34 H new ATOM 369 N VAL A 24 1.501 -0.581 -3.870 1.00 24.24 N ATOM 370 CA VAL A 24 2.864 -0.130 -4.107 1.00 51.01 C ATOM 371 C VAL A 24 3.275 -0.471 -5.529 1.00 52.34 C ATOM 372 O VAL A 24 3.219 -1.630 -5.934 1.00 41.23 O ATOM 373 CB VAL A 24 3.854 -0.788 -3.126 1.00 41.21 C ATOM 374 CG1 VAL A 24 5.268 -0.290 -3.372 1.00 35.41 C ATOM 375 CG2 VAL A 24 3.440 -0.523 -1.688 1.00 2.45 C ATOM 0 H VAL A 24 1.417 -1.312 -3.163 1.00 24.24 H new ATOM 0 HA VAL A 24 2.891 0.949 -3.954 1.00 51.01 H new ATOM 0 HB VAL A 24 3.835 -1.864 -3.297 1.00 41.21 H new ATOM 0 HG11 VAL A 24 5.950 -0.768 -2.668 1.00 35.41 H new ATOM 0 HG12 VAL A 24 5.568 -0.535 -4.391 1.00 35.41 H new ATOM 0 HG13 VAL A 24 5.302 0.791 -3.234 1.00 35.41 H new ATOM 0 HG21 VAL A 24 4.152 -0.996 -1.011 1.00 2.45 H new ATOM 0 HG22 VAL A 24 3.425 0.552 -1.506 1.00 2.45 H new ATOM 0 HG23 VAL A 24 2.446 -0.934 -1.514 1.00 2.45 H new ATOM 385 N GLN A 25 3.667 0.533 -6.289 1.00 14.42 N ATOM 386 CA GLN A 25 4.075 0.319 -7.667 1.00 21.25 C ATOM 387 C GLN A 25 5.560 0.028 -7.733 1.00 53.20 C ATOM 388 O GLN A 25 6.023 -0.740 -8.573 1.00 44.15 O ATOM 389 CB GLN A 25 3.755 1.545 -8.517 1.00 14.35 C ATOM 390 CG GLN A 25 2.268 1.798 -8.702 1.00 13.12 C ATOM 391 CD GLN A 25 1.540 0.638 -9.353 1.00 71.14 C ATOM 392 OE1 GLN A 25 1.446 0.552 -10.578 1.00 43.54 O ATOM 393 NE2 GLN A 25 1.006 -0.258 -8.538 1.00 32.25 N ATOM 0 H GLN A 25 3.712 1.503 -5.978 1.00 14.42 H new ATOM 0 HA GLN A 25 3.523 -0.536 -8.059 1.00 21.25 H new ATOM 0 HB2 GLN A 25 4.208 2.423 -8.055 1.00 14.35 H new ATOM 0 HB3 GLN A 25 4.217 1.426 -9.497 1.00 14.35 H new ATOM 0 HG2 GLN A 25 1.817 2.002 -7.731 1.00 13.12 H new ATOM 0 HG3 GLN A 25 2.131 2.692 -9.311 1.00 13.12 H new ATOM 0 HE21 GLN A 25 1.105 -0.152 -7.528 1.00 32.25 H new ATOM 0 HE22 GLN A 25 0.495 -1.054 -8.920 1.00 32.25 H new ATOM 402 N ARG A 26 6.296 0.643 -6.826 1.00 13.04 N ATOM 403 CA ARG A 26 7.740 0.525 -6.796 1.00 74.45 C ATOM 404 C ARG A 26 8.288 1.109 -5.503 1.00 45.42 C ATOM 405 O ARG A 26 7.846 2.166 -5.044 1.00 11.55 O ATOM 406 CB ARG A 26 8.371 1.225 -8.007 1.00 10.44 C ATOM 407 CG ARG A 26 7.934 2.671 -8.172 1.00 42.20 C ATOM 408 CD ARG A 26 8.610 3.328 -9.361 1.00 2.22 C ATOM 409 NE ARG A 26 10.054 3.449 -9.173 1.00 13.33 N ATOM 410 CZ ARG A 26 10.752 4.538 -9.493 1.00 23.44 C ATOM 411 NH1 ARG A 26 10.136 5.596 -10.015 1.00 44.40 N ATOM 412 NH2 ARG A 26 12.068 4.562 -9.300 1.00 32.23 N ATOM 0 H ARG A 26 5.910 1.237 -6.092 1.00 13.04 H new ATOM 0 HA ARG A 26 7.998 -0.533 -6.842 1.00 74.45 H new ATOM 0 HB2 ARG A 26 9.456 1.191 -7.910 1.00 10.44 H new ATOM 0 HB3 ARG A 26 8.114 0.672 -8.910 1.00 10.44 H new ATOM 0 HG2 ARG A 26 6.852 2.712 -8.300 1.00 42.20 H new ATOM 0 HG3 ARG A 26 8.170 3.228 -7.265 1.00 42.20 H new ATOM 0 HD2 ARG A 26 8.409 2.745 -10.260 1.00 2.22 H new ATOM 0 HD3 ARG A 26 8.181 4.317 -9.521 1.00 2.22 H new ATOM 0 HE ARG A 26 10.556 2.655 -8.774 1.00 13.33 H new ATOM 0 HH11 ARG A 26 9.128 5.574 -10.171 1.00 44.40 H new ATOM 0 HH12 ARG A 26 10.672 6.429 -10.259 1.00 44.40 H new ATOM 0 HH21 ARG A 26 12.541 3.748 -8.908 1.00 32.23 H new ATOM 0 HH22 ARG A 26 12.604 5.395 -9.544 1.00 32.23 H new ATOM 426 N VAL A 27 9.226 0.399 -4.914 1.00 12.55 N ATOM 427 CA VAL A 27 9.886 0.839 -3.694 1.00 33.52 C ATOM 428 C VAL A 27 11.279 1.373 -4.026 1.00 32.52 C ATOM 429 O VAL A 27 11.954 0.849 -4.912 1.00 22.34 O ATOM 430 CB VAL A 27 10.004 -0.313 -2.671 1.00 42.30 C ATOM 431 CG1 VAL A 27 10.605 0.174 -1.361 1.00 50.41 C ATOM 432 CG2 VAL A 27 8.649 -0.951 -2.427 1.00 73.43 C ATOM 0 H VAL A 27 9.556 -0.500 -5.264 1.00 12.55 H new ATOM 0 HA VAL A 27 9.282 1.629 -3.249 1.00 33.52 H new ATOM 0 HB VAL A 27 10.673 -1.065 -3.090 1.00 42.30 H new ATOM 0 HG11 VAL A 27 10.675 -0.659 -0.661 1.00 50.41 H new ATOM 0 HG12 VAL A 27 11.600 0.578 -1.545 1.00 50.41 H new ATOM 0 HG13 VAL A 27 9.970 0.952 -0.937 1.00 50.41 H new ATOM 0 HG21 VAL A 27 8.753 -1.760 -1.704 1.00 73.43 H new ATOM 0 HG22 VAL A 27 7.959 -0.202 -2.037 1.00 73.43 H new ATOM 0 HG23 VAL A 27 8.260 -1.350 -3.364 1.00 73.43 H new ATOM 442 N SER A 28 11.694 2.423 -3.338 1.00 43.12 N ATOM 443 CA SER A 28 13.006 3.005 -3.559 1.00 64.23 C ATOM 444 C SER A 28 13.806 2.993 -2.256 1.00 73.20 C ATOM 445 O SER A 28 14.611 3.888 -1.996 1.00 11.33 O ATOM 446 CB SER A 28 12.849 4.434 -4.101 1.00 22.21 C ATOM 447 OG SER A 28 14.074 4.942 -4.602 1.00 73.55 O ATOM 0 H SER A 28 11.140 2.890 -2.620 1.00 43.12 H new ATOM 0 HA SER A 28 13.552 2.415 -4.296 1.00 64.23 H new ATOM 0 HB2 SER A 28 12.100 4.443 -4.893 1.00 22.21 H new ATOM 0 HB3 SER A 28 12.482 5.086 -3.308 1.00 22.21 H new ATOM 0 HG SER A 28 14.781 4.806 -3.937 1.00 73.55 H new ATOM 453 N ASP A 29 13.584 1.939 -1.469 1.00 24.41 N ATOM 454 CA ASP A 29 14.215 1.765 -0.154 1.00 1.31 C ATOM 455 C ASP A 29 14.065 3.013 0.708 1.00 4.22 C ATOM 456 O ASP A 29 14.925 3.895 0.714 1.00 41.12 O ATOM 457 CB ASP A 29 15.690 1.375 -0.288 1.00 14.12 C ATOM 458 CG ASP A 29 15.872 -0.052 -0.769 1.00 25.43 C ATOM 459 OD1 ASP A 29 15.580 -0.988 0.003 1.00 71.15 O ATOM 460 OD2 ASP A 29 16.303 -0.244 -1.926 1.00 13.04 O ATOM 0 H ASP A 29 12.958 1.176 -1.725 1.00 24.41 H new ATOM 0 HA ASP A 29 13.694 0.948 0.345 1.00 1.31 H new ATOM 0 HB2 ASP A 29 16.180 2.055 -0.984 1.00 14.12 H new ATOM 0 HB3 ASP A 29 16.183 1.496 0.676 1.00 14.12 H new ATOM 465 N GLY A 30 12.953 3.085 1.423 1.00 1.23 N ATOM 466 CA GLY A 30 12.650 4.252 2.225 1.00 53.11 C ATOM 467 C GLY A 30 11.416 4.955 1.707 1.00 13.42 C ATOM 468 O GLY A 30 10.520 5.315 2.468 1.00 0.24 O ATOM 0 H GLY A 30 12.249 2.348 1.462 1.00 1.23 H new ATOM 0 HA2 GLY A 30 12.496 3.956 3.263 1.00 53.11 H new ATOM 0 HA3 GLY A 30 13.497 4.938 2.212 1.00 53.11 H new ATOM 472 N LYS A 31 11.373 5.137 0.398 1.00 0.01 N ATOM 473 CA LYS A 31 10.229 5.723 -0.258 1.00 42.05 C ATOM 474 C LYS A 31 9.535 4.674 -1.126 1.00 21.24 C ATOM 475 O LYS A 31 10.138 3.657 -1.476 1.00 73.13 O ATOM 476 CB LYS A 31 10.686 6.892 -1.128 1.00 54.03 C ATOM 477 CG LYS A 31 11.308 8.048 -0.357 1.00 22.22 C ATOM 478 CD LYS A 31 11.824 9.125 -1.300 1.00 54.50 C ATOM 479 CE LYS A 31 10.697 9.849 -2.019 1.00 52.41 C ATOM 480 NZ LYS A 31 9.952 10.762 -1.114 1.00 60.31 N ATOM 0 H LYS A 31 12.132 4.881 -0.234 1.00 0.01 H new ATOM 0 HA LYS A 31 9.527 6.083 0.494 1.00 42.05 H new ATOM 0 HB2 LYS A 31 11.410 6.526 -1.855 1.00 54.03 H new ATOM 0 HB3 LYS A 31 9.831 7.266 -1.691 1.00 54.03 H new ATOM 0 HG2 LYS A 31 10.569 8.477 0.319 1.00 22.22 H new ATOM 0 HG3 LYS A 31 12.127 7.678 0.260 1.00 22.22 H new ATOM 0 HD2 LYS A 31 12.415 9.846 -0.736 1.00 54.50 H new ATOM 0 HD3 LYS A 31 12.490 8.673 -2.035 1.00 54.50 H new ATOM 0 HE2 LYS A 31 11.107 10.420 -2.852 1.00 52.41 H new ATOM 0 HE3 LYS A 31 10.009 9.117 -2.442 1.00 52.41 H new ATOM 0 HZ1 LYS A 31 9.249 11.297 -1.663 1.00 60.31 H new ATOM 0 HZ2 LYS A 31 9.468 10.205 -0.381 1.00 60.31 H new ATOM 0 HZ3 LYS A 31 10.617 11.424 -0.664 1.00 60.31 H new ATOM 494 N ALA A 32 8.283 4.925 -1.478 1.00 34.12 N ATOM 495 CA ALA A 32 7.524 4.013 -2.323 1.00 25.52 C ATOM 496 C ALA A 32 6.447 4.765 -3.087 1.00 43.53 C ATOM 497 O ALA A 32 5.846 5.695 -2.559 1.00 51.12 O ATOM 498 CB ALA A 32 6.901 2.908 -1.485 1.00 51.44 C ATOM 0 H ALA A 32 7.768 5.757 -1.190 1.00 34.12 H new ATOM 0 HA ALA A 32 8.208 3.562 -3.042 1.00 25.52 H new ATOM 0 HB1 ALA A 32 6.337 2.235 -2.131 1.00 51.44 H new ATOM 0 HB2 ALA A 32 7.687 2.349 -0.977 1.00 51.44 H new ATOM 0 HB3 ALA A 32 6.231 3.346 -0.745 1.00 51.44 H new ATOM 504 N ALA A 33 6.213 4.372 -4.328 1.00 64.02 N ATOM 505 CA ALA A 33 5.189 5.003 -5.141 1.00 31.41 C ATOM 506 C ALA A 33 3.879 4.257 -4.978 1.00 75.23 C ATOM 507 O ALA A 33 3.775 3.083 -5.335 1.00 55.21 O ATOM 508 CB ALA A 33 5.614 5.037 -6.600 1.00 61.51 C ATOM 0 H ALA A 33 6.719 3.619 -4.794 1.00 64.02 H new ATOM 0 HA ALA A 33 5.051 6.032 -4.808 1.00 31.41 H new ATOM 0 HB1 ALA A 33 4.835 5.513 -7.195 1.00 61.51 H new ATOM 0 HB2 ALA A 33 6.541 5.603 -6.696 1.00 61.51 H new ATOM 0 HB3 ALA A 33 5.772 4.019 -6.957 1.00 61.51 H new ATOM 514 N VAL A 34 2.891 4.932 -4.417 1.00 73.14 N ATOM 515 CA VAL A 34 1.613 4.308 -4.121 1.00 64.01 C ATOM 516 C VAL A 34 0.585 4.669 -5.178 1.00 54.21 C ATOM 517 O VAL A 34 0.354 5.847 -5.460 1.00 44.44 O ATOM 518 CB VAL A 34 1.085 4.740 -2.738 1.00 51.51 C ATOM 519 CG1 VAL A 34 -0.130 3.910 -2.342 1.00 73.52 C ATOM 520 CG2 VAL A 34 2.182 4.636 -1.690 1.00 54.11 C ATOM 0 H VAL A 34 2.950 5.916 -4.156 1.00 73.14 H new ATOM 0 HA VAL A 34 1.772 3.230 -4.117 1.00 64.01 H new ATOM 0 HB VAL A 34 0.774 5.783 -2.799 1.00 51.51 H new ATOM 0 HG11 VAL A 34 -0.487 4.231 -1.363 1.00 73.52 H new ATOM 0 HG12 VAL A 34 -0.921 4.048 -3.079 1.00 73.52 H new ATOM 0 HG13 VAL A 34 0.147 2.857 -2.300 1.00 73.52 H new ATOM 0 HG21 VAL A 34 1.790 4.945 -0.721 1.00 54.11 H new ATOM 0 HG22 VAL A 34 2.530 3.605 -1.629 1.00 54.11 H new ATOM 0 HG23 VAL A 34 3.014 5.283 -1.968 1.00 54.11 H new ATOM 530 N LEU A 35 -0.011 3.656 -5.778 1.00 41.40 N ATOM 531 CA LEU A 35 -1.069 3.870 -6.743 1.00 2.44 C ATOM 532 C LEU A 35 -2.414 3.772 -6.052 1.00 52.41 C ATOM 533 O LEU A 35 -2.848 2.685 -5.666 1.00 33.20 O ATOM 534 CB LEU A 35 -1.006 2.841 -7.862 1.00 32.32 C ATOM 535 CG LEU A 35 -1.960 3.091 -9.025 1.00 30.02 C ATOM 536 CD1 LEU A 35 -1.607 4.381 -9.750 1.00 73.20 C ATOM 537 CD2 LEU A 35 -1.946 1.915 -9.985 1.00 22.02 C ATOM 0 H LEU A 35 0.221 2.676 -5.613 1.00 41.40 H new ATOM 0 HA LEU A 35 -0.940 4.862 -7.175 1.00 2.44 H new ATOM 0 HB2 LEU A 35 0.013 2.809 -8.248 1.00 32.32 H new ATOM 0 HB3 LEU A 35 -1.219 1.858 -7.443 1.00 32.32 H new ATOM 0 HG LEU A 35 -2.968 3.196 -8.623 1.00 30.02 H new ATOM 0 HD11 LEU A 35 -2.302 4.537 -10.575 1.00 73.20 H new ATOM 0 HD12 LEU A 35 -1.675 5.219 -9.056 1.00 73.20 H new ATOM 0 HD13 LEU A 35 -0.591 4.313 -10.139 1.00 73.20 H new ATOM 0 HD21 LEU A 35 -2.632 2.110 -10.809 1.00 22.02 H new ATOM 0 HD22 LEU A 35 -0.938 1.777 -10.377 1.00 22.02 H new ATOM 0 HD23 LEU A 35 -2.257 1.012 -9.459 1.00 22.02 H new ATOM 549 N PHE A 36 -3.052 4.907 -5.884 1.00 33.00 N ATOM 550 CA PHE A 36 -4.365 4.960 -5.268 1.00 5.32 C ATOM 551 C PHE A 36 -5.420 4.743 -6.329 1.00 32.01 C ATOM 552 O PHE A 36 -5.274 5.216 -7.455 1.00 14.32 O ATOM 553 CB PHE A 36 -4.594 6.307 -4.586 1.00 51.43 C ATOM 554 CG PHE A 36 -3.549 6.651 -3.566 1.00 24.03 C ATOM 555 CD1 PHE A 36 -3.637 6.154 -2.280 1.00 10.45 C ATOM 556 CD2 PHE A 36 -2.481 7.469 -3.895 1.00 41.35 C ATOM 557 CE1 PHE A 36 -2.677 6.463 -1.336 1.00 34.03 C ATOM 558 CE2 PHE A 36 -1.516 7.783 -2.958 1.00 44.02 C ATOM 559 CZ PHE A 36 -1.614 7.279 -1.677 1.00 63.15 C ATOM 0 H PHE A 36 -2.683 5.815 -6.167 1.00 33.00 H new ATOM 0 HA PHE A 36 -4.428 4.178 -4.511 1.00 5.32 H new ATOM 0 HB2 PHE A 36 -4.620 7.089 -5.345 1.00 51.43 H new ATOM 0 HB3 PHE A 36 -5.571 6.299 -4.104 1.00 51.43 H new ATOM 0 HD1 PHE A 36 -4.466 5.517 -2.010 1.00 10.45 H new ATOM 0 HD2 PHE A 36 -2.402 7.866 -4.896 1.00 41.35 H new ATOM 0 HE1 PHE A 36 -2.757 6.068 -0.334 1.00 34.03 H new ATOM 0 HE2 PHE A 36 -0.687 8.421 -3.227 1.00 44.02 H new ATOM 0 HZ PHE A 36 -0.861 7.522 -0.942 1.00 63.15 H new ATOM 569 N GLU A 37 -6.472 4.032 -5.981 1.00 24.24 N ATOM 570 CA GLU A 37 -7.518 3.730 -6.937 1.00 41.22 C ATOM 571 C GLU A 37 -8.885 3.833 -6.279 1.00 41.02 C ATOM 572 O GLU A 37 -9.107 3.298 -5.189 1.00 22.00 O ATOM 573 CB GLU A 37 -7.314 2.335 -7.529 1.00 71.51 C ATOM 574 CG GLU A 37 -8.246 2.026 -8.688 1.00 45.10 C ATOM 575 CD GLU A 37 -7.998 0.657 -9.277 1.00 1.41 C ATOM 576 OE1 GLU A 37 -7.167 0.543 -10.202 1.00 11.33 O ATOM 577 OE2 GLU A 37 -8.637 -0.316 -8.823 1.00 64.44 O ATOM 0 H GLU A 37 -6.626 3.653 -5.047 1.00 24.24 H new ATOM 0 HA GLU A 37 -7.468 4.459 -7.746 1.00 41.22 H new ATOM 0 HB2 GLU A 37 -6.282 2.240 -7.868 1.00 71.51 H new ATOM 0 HB3 GLU A 37 -7.462 1.591 -6.746 1.00 71.51 H new ATOM 0 HG2 GLU A 37 -9.279 2.090 -8.347 1.00 45.10 H new ATOM 0 HG3 GLU A 37 -8.119 2.781 -9.464 1.00 45.10 H new ATOM 584 N ASN A 38 -9.783 4.542 -6.940 1.00 31.21 N ATOM 585 CA ASN A 38 -11.155 4.685 -6.483 1.00 15.12 C ATOM 586 C ASN A 38 -12.083 4.642 -7.686 1.00 63.43 C ATOM 587 O ASN A 38 -12.341 5.665 -8.325 1.00 4.20 O ATOM 588 CB ASN A 38 -11.340 5.996 -5.709 1.00 11.04 C ATOM 589 CG ASN A 38 -12.758 6.197 -5.195 1.00 44.54 C ATOM 590 OD1 ASN A 38 -13.243 7.326 -5.123 1.00 40.03 O ATOM 591 ND2 ASN A 38 -13.427 5.117 -4.820 1.00 2.44 N ATOM 0 H ASN A 38 -9.582 5.036 -7.810 1.00 31.21 H new ATOM 0 HA ASN A 38 -11.395 3.865 -5.806 1.00 15.12 H new ATOM 0 HB2 ASN A 38 -10.650 6.012 -4.866 1.00 11.04 H new ATOM 0 HB3 ASN A 38 -11.073 6.832 -6.355 1.00 11.04 H new ATOM 0 HD21 ASN A 38 -14.376 5.205 -4.457 1.00 2.44 H new ATOM 0 HD22 ASN A 38 -12.993 4.197 -4.894 1.00 2.44 H new ATOM 598 N GLY A 39 -12.538 3.442 -8.017 1.00 34.42 N ATOM 599 CA GLY A 39 -13.370 3.253 -9.187 1.00 43.30 C ATOM 600 C GLY A 39 -12.554 3.259 -10.464 1.00 54.44 C ATOM 601 O GLY A 39 -11.721 2.378 -10.685 1.00 4.25 O ATOM 0 H GLY A 39 -12.344 2.590 -7.491 1.00 34.42 H new ATOM 0 HA2 GLY A 39 -13.907 2.308 -9.103 1.00 43.30 H new ATOM 0 HA3 GLY A 39 -14.120 4.043 -9.231 1.00 43.30 H new ATOM 605 N ASN A 40 -12.785 4.261 -11.298 1.00 71.35 N ATOM 606 CA ASN A 40 -12.047 4.416 -12.546 1.00 32.31 C ATOM 607 C ASN A 40 -10.806 5.262 -12.289 1.00 41.40 C ATOM 608 O ASN A 40 -9.768 5.096 -12.929 1.00 12.41 O ATOM 609 CB ASN A 40 -12.937 5.092 -13.596 1.00 60.01 C ATOM 610 CG ASN A 40 -12.387 5.019 -15.015 1.00 54.25 C ATOM 611 OD1 ASN A 40 -11.182 4.936 -15.238 1.00 43.42 O ATOM 612 ND2 ASN A 40 -13.282 5.059 -15.990 1.00 34.11 N ATOM 0 H ASN A 40 -13.483 4.986 -11.133 1.00 71.35 H new ATOM 0 HA ASN A 40 -11.748 3.437 -12.920 1.00 32.31 H new ATOM 0 HB2 ASN A 40 -13.923 4.627 -13.575 1.00 60.01 H new ATOM 0 HB3 ASN A 40 -13.072 6.139 -13.323 1.00 60.01 H new ATOM 0 HD21 ASN A 40 -12.978 5.021 -16.963 1.00 34.11 H new ATOM 0 HD22 ASN A 40 -14.275 5.128 -15.768 1.00 34.11 H new ATOM 619 N TRP A 41 -10.929 6.156 -11.319 1.00 1.42 N ATOM 620 CA TRP A 41 -9.875 7.097 -10.987 1.00 31.35 C ATOM 621 C TRP A 41 -8.712 6.410 -10.292 1.00 13.41 C ATOM 622 O TRP A 41 -8.897 5.543 -9.432 1.00 75.24 O ATOM 623 CB TRP A 41 -10.438 8.219 -10.111 1.00 10.21 C ATOM 624 CG TRP A 41 -9.405 9.117 -9.500 1.00 51.44 C ATOM 625 CD1 TRP A 41 -8.825 10.211 -10.075 1.00 41.53 C ATOM 626 CD2 TRP A 41 -8.843 9.012 -8.183 1.00 22.31 C ATOM 627 NE1 TRP A 41 -7.934 10.786 -9.202 1.00 32.13 N ATOM 628 CE2 TRP A 41 -7.927 10.067 -8.036 1.00 43.22 C ATOM 629 CE3 TRP A 41 -9.020 8.122 -7.120 1.00 5.53 C ATOM 630 CZ2 TRP A 41 -7.198 10.264 -6.867 1.00 11.15 C ATOM 631 CZ3 TRP A 41 -8.294 8.318 -5.959 1.00 10.24 C ATOM 632 CH2 TRP A 41 -7.392 9.379 -5.843 1.00 64.24 C ATOM 0 H TRP A 41 -11.764 6.248 -10.741 1.00 1.42 H new ATOM 0 HA TRP A 41 -9.494 7.523 -11.915 1.00 31.35 H new ATOM 0 HB2 TRP A 41 -11.116 8.825 -10.712 1.00 10.21 H new ATOM 0 HB3 TRP A 41 -11.031 7.774 -9.312 1.00 10.21 H new ATOM 0 HD1 TRP A 41 -9.036 10.572 -11.071 1.00 41.53 H new ATOM 0 HE1 TRP A 41 -7.369 11.614 -9.391 1.00 32.13 H new ATOM 0 HE3 TRP A 41 -9.711 7.296 -7.204 1.00 5.53 H new ATOM 0 HZ2 TRP A 41 -6.504 11.086 -6.772 1.00 11.15 H new ATOM 0 HZ3 TRP A 41 -8.426 7.640 -5.129 1.00 10.24 H new ATOM 0 HH2 TRP A 41 -6.836 9.503 -4.925 1.00 64.24 H new ATOM 643 N ASP A 42 -7.520 6.816 -10.677 1.00 63.22 N ATOM 644 CA ASP A 42 -6.291 6.324 -10.079 1.00 51.42 C ATOM 645 C ASP A 42 -5.287 7.460 -9.996 1.00 51.23 C ATOM 646 O ASP A 42 -5.369 8.425 -10.761 1.00 65.03 O ATOM 647 CB ASP A 42 -5.702 5.152 -10.876 1.00 61.11 C ATOM 648 CG ASP A 42 -5.250 5.547 -12.268 1.00 11.51 C ATOM 649 OD1 ASP A 42 -4.077 5.946 -12.427 1.00 44.10 O ATOM 650 OD2 ASP A 42 -6.064 5.454 -13.214 1.00 51.34 O ATOM 0 H ASP A 42 -7.373 7.501 -11.418 1.00 63.22 H new ATOM 0 HA ASP A 42 -6.518 5.955 -9.079 1.00 51.42 H new ATOM 0 HB2 ASP A 42 -4.855 4.738 -10.329 1.00 61.11 H new ATOM 0 HB3 ASP A 42 -6.448 4.362 -10.953 1.00 61.11 H new ATOM 655 N LYS A 43 -4.356 7.355 -9.067 1.00 12.41 N ATOM 656 CA LYS A 43 -3.388 8.417 -8.843 1.00 40.01 C ATOM 657 C LYS A 43 -2.108 7.854 -8.241 1.00 42.34 C ATOM 658 O LYS A 43 -2.132 7.252 -7.167 1.00 13.33 O ATOM 659 CB LYS A 43 -3.992 9.469 -7.909 1.00 40.31 C ATOM 660 CG LYS A 43 -3.287 10.815 -7.943 1.00 21.13 C ATOM 661 CD LYS A 43 -3.971 11.807 -7.018 1.00 40.21 C ATOM 662 CE LYS A 43 -3.405 13.209 -7.168 1.00 25.52 C ATOM 663 NZ LYS A 43 -4.034 14.158 -6.211 1.00 71.44 N ATOM 0 H LYS A 43 -4.248 6.547 -8.455 1.00 12.41 H new ATOM 0 HA LYS A 43 -3.142 8.880 -9.798 1.00 40.01 H new ATOM 0 HB2 LYS A 43 -5.039 9.614 -8.173 1.00 40.31 H new ATOM 0 HB3 LYS A 43 -3.971 9.087 -6.888 1.00 40.31 H new ATOM 0 HG2 LYS A 43 -2.246 10.692 -7.646 1.00 21.13 H new ATOM 0 HG3 LYS A 43 -3.284 11.203 -8.962 1.00 21.13 H new ATOM 0 HD2 LYS A 43 -5.040 11.823 -7.230 1.00 40.21 H new ATOM 0 HD3 LYS A 43 -3.856 11.478 -5.985 1.00 40.21 H new ATOM 0 HE2 LYS A 43 -2.328 13.187 -7.004 1.00 25.52 H new ATOM 0 HE3 LYS A 43 -3.565 13.560 -8.188 1.00 25.52 H new ATOM 0 HZ1 LYS A 43 -3.726 15.127 -6.430 1.00 71.44 H new ATOM 0 HZ2 LYS A 43 -5.069 14.097 -6.292 1.00 71.44 H new ATOM 0 HZ3 LYS A 43 -3.747 13.914 -5.241 1.00 71.44 H new ATOM 677 N LEU A 44 -0.996 8.037 -8.940 1.00 34.00 N ATOM 678 CA LEU A 44 0.289 7.552 -8.461 1.00 64.43 C ATOM 679 C LEU A 44 1.022 8.646 -7.694 1.00 73.13 C ATOM 680 O LEU A 44 1.467 9.639 -8.274 1.00 34.33 O ATOM 681 CB LEU A 44 1.152 7.064 -9.627 1.00 65.43 C ATOM 682 CG LEU A 44 2.523 6.513 -9.230 1.00 4.32 C ATOM 683 CD1 LEU A 44 2.368 5.295 -8.340 1.00 13.51 C ATOM 684 CD2 LEU A 44 3.341 6.173 -10.464 1.00 54.13 C ATOM 0 H LEU A 44 -0.959 8.517 -9.839 1.00 34.00 H new ATOM 0 HA LEU A 44 0.104 6.714 -7.789 1.00 64.43 H new ATOM 0 HB2 LEU A 44 0.606 6.288 -10.163 1.00 65.43 H new ATOM 0 HB3 LEU A 44 1.297 7.890 -10.323 1.00 65.43 H new ATOM 0 HG LEU A 44 3.054 7.283 -8.670 1.00 4.32 H new ATOM 0 HD11 LEU A 44 3.353 4.916 -8.067 1.00 13.51 H new ATOM 0 HD12 LEU A 44 1.823 5.571 -7.438 1.00 13.51 H new ATOM 0 HD13 LEU A 44 1.817 4.521 -8.875 1.00 13.51 H new ATOM 0 HD21 LEU A 44 4.312 5.783 -10.160 1.00 54.13 H new ATOM 0 HD22 LEU A 44 2.816 5.421 -11.053 1.00 54.13 H new ATOM 0 HD23 LEU A 44 3.483 7.071 -11.065 1.00 54.13 H new ATOM 696 N VAL A 45 1.136 8.463 -6.391 1.00 71.11 N ATOM 697 CA VAL A 45 1.827 9.421 -5.543 1.00 71.24 C ATOM 698 C VAL A 45 2.902 8.711 -4.733 1.00 5.45 C ATOM 699 O VAL A 45 2.632 7.702 -4.081 1.00 21.41 O ATOM 700 CB VAL A 45 0.860 10.144 -4.578 1.00 70.34 C ATOM 701 CG1 VAL A 45 1.582 11.252 -3.825 1.00 22.05 C ATOM 702 CG2 VAL A 45 -0.338 10.702 -5.330 1.00 33.54 C ATOM 0 H VAL A 45 0.758 7.657 -5.894 1.00 71.11 H new ATOM 0 HA VAL A 45 2.276 10.170 -6.196 1.00 71.24 H new ATOM 0 HB VAL A 45 0.497 9.415 -3.853 1.00 70.34 H new ATOM 0 HG11 VAL A 45 0.884 11.749 -3.151 1.00 22.05 H new ATOM 0 HG12 VAL A 45 2.402 10.825 -3.248 1.00 22.05 H new ATOM 0 HG13 VAL A 45 1.978 11.977 -4.536 1.00 22.05 H new ATOM 0 HG21 VAL A 45 -1.004 11.206 -4.630 1.00 33.54 H new ATOM 0 HG22 VAL A 45 0.004 11.413 -6.082 1.00 33.54 H new ATOM 0 HG23 VAL A 45 -0.873 9.887 -5.818 1.00 33.54 H new ATOM 712 N THR A 46 4.122 9.222 -4.793 1.00 1.33 N ATOM 713 CA THR A 46 5.224 8.627 -4.061 1.00 11.12 C ATOM 714 C THR A 46 5.241 9.114 -2.617 1.00 61.15 C ATOM 715 O THR A 46 5.125 10.312 -2.344 1.00 43.32 O ATOM 716 CB THR A 46 6.572 8.958 -4.720 1.00 13.43 C ATOM 717 OG1 THR A 46 6.452 8.868 -6.146 1.00 4.12 O ATOM 718 CG2 THR A 46 7.667 8.014 -4.244 1.00 61.30 C ATOM 0 H THR A 46 4.372 10.046 -5.340 1.00 1.33 H new ATOM 0 HA THR A 46 5.077 7.547 -4.077 1.00 11.12 H new ATOM 0 HB THR A 46 6.845 9.974 -4.434 1.00 13.43 H new ATOM 0 HG1 THR A 46 7.314 9.082 -6.561 1.00 4.12 H new ATOM 0 HG21 THR A 46 8.608 8.274 -4.729 1.00 61.30 H new ATOM 0 HG22 THR A 46 7.779 8.102 -3.163 1.00 61.30 H new ATOM 0 HG23 THR A 46 7.399 6.989 -4.499 1.00 61.30 H new ATOM 726 N PHE A 47 5.391 8.178 -1.708 1.00 4.51 N ATOM 727 CA PHE A 47 5.455 8.461 -0.284 1.00 32.00 C ATOM 728 C PHE A 47 6.637 7.734 0.328 1.00 70.10 C ATOM 729 O PHE A 47 7.573 7.354 -0.377 1.00 61.32 O ATOM 730 CB PHE A 47 4.164 8.025 0.417 1.00 4.31 C ATOM 731 CG PHE A 47 3.001 8.938 0.176 1.00 60.24 C ATOM 732 CD1 PHE A 47 2.923 10.158 0.824 1.00 44.20 C ATOM 733 CD2 PHE A 47 1.984 8.577 -0.689 1.00 1.22 C ATOM 734 CE1 PHE A 47 1.852 11.001 0.614 1.00 45.31 C ATOM 735 CE2 PHE A 47 0.911 9.416 -0.905 1.00 14.12 C ATOM 736 CZ PHE A 47 0.844 10.630 -0.253 1.00 10.41 C ATOM 0 H PHE A 47 5.473 7.187 -1.934 1.00 4.51 H new ATOM 0 HA PHE A 47 5.575 9.536 -0.151 1.00 32.00 H new ATOM 0 HB2 PHE A 47 3.901 7.022 0.081 1.00 4.31 H new ATOM 0 HB3 PHE A 47 4.348 7.963 1.490 1.00 4.31 H new ATOM 0 HD1 PHE A 47 3.710 10.454 1.502 1.00 44.20 H new ATOM 0 HD2 PHE A 47 2.031 7.627 -1.201 1.00 1.22 H new ATOM 0 HE1 PHE A 47 1.802 11.950 1.127 1.00 45.31 H new ATOM 0 HE2 PHE A 47 0.124 9.123 -1.584 1.00 14.12 H new ATOM 0 HZ PHE A 47 0.005 11.289 -0.421 1.00 10.41 H new ATOM 746 N ARG A 48 6.605 7.554 1.636 1.00 1.44 N ATOM 747 CA ARG A 48 7.628 6.790 2.321 1.00 40.24 C ATOM 748 C ARG A 48 7.049 5.468 2.799 1.00 31.14 C ATOM 749 O ARG A 48 5.845 5.241 2.706 1.00 0.32 O ATOM 750 CB ARG A 48 8.186 7.581 3.504 1.00 24.33 C ATOM 751 CG ARG A 48 8.899 8.857 3.096 1.00 71.14 C ATOM 752 CD ARG A 48 9.306 9.681 4.307 1.00 63.45 C ATOM 753 NE ARG A 48 8.145 10.124 5.079 1.00 70.23 N ATOM 754 CZ ARG A 48 8.154 11.162 5.917 1.00 71.31 C ATOM 755 NH1 ARG A 48 9.258 11.873 6.094 1.00 75.34 N ATOM 756 NH2 ARG A 48 7.049 11.495 6.570 1.00 73.51 N ATOM 0 H ARG A 48 5.878 7.929 2.246 1.00 1.44 H new ATOM 0 HA ARG A 48 8.444 6.592 1.625 1.00 40.24 H new ATOM 0 HB2 ARG A 48 7.369 7.831 4.181 1.00 24.33 H new ATOM 0 HB3 ARG A 48 8.879 6.949 4.059 1.00 24.33 H new ATOM 0 HG2 ARG A 48 9.784 8.609 2.510 1.00 71.14 H new ATOM 0 HG3 ARG A 48 8.247 9.450 2.454 1.00 71.14 H new ATOM 0 HD2 ARG A 48 9.962 9.089 4.945 1.00 63.45 H new ATOM 0 HD3 ARG A 48 9.878 10.550 3.980 1.00 63.45 H new ATOM 0 HE ARG A 48 7.273 9.606 4.970 1.00 70.23 H new ATOM 0 HH11 ARG A 48 10.109 11.628 5.588 1.00 75.34 H new ATOM 0 HH12 ARG A 48 9.257 12.665 6.736 1.00 75.34 H new ATOM 0 HH21 ARG A 48 6.193 10.958 6.431 1.00 73.51 H new ATOM 0 HH22 ARG A 48 7.055 12.288 7.211 1.00 73.51 H new ATOM 770 N LEU A 49 7.904 4.614 3.327 1.00 62.24 N ATOM 771 CA LEU A 49 7.490 3.297 3.789 1.00 32.00 C ATOM 772 C LEU A 49 6.883 3.403 5.176 1.00 45.03 C ATOM 773 O LEU A 49 6.021 2.613 5.554 1.00 0.44 O ATOM 774 CB LEU A 49 8.674 2.327 3.806 1.00 65.24 C ATOM 775 CG LEU A 49 9.311 2.049 2.444 1.00 11.12 C ATOM 776 CD1 LEU A 49 10.489 1.103 2.596 1.00 72.41 C ATOM 777 CD2 LEU A 49 8.287 1.470 1.479 1.00 43.41 C ATOM 0 H LEU A 49 8.898 4.808 3.449 1.00 62.24 H new ATOM 0 HA LEU A 49 6.742 2.909 3.098 1.00 32.00 H new ATOM 0 HB2 LEU A 49 9.439 2.726 4.472 1.00 65.24 H new ATOM 0 HB3 LEU A 49 8.341 1.381 4.233 1.00 65.24 H new ATOM 0 HG LEU A 49 9.671 2.993 2.034 1.00 11.12 H new ATOM 0 HD11 LEU A 49 10.932 0.914 1.618 1.00 72.41 H new ATOM 0 HD12 LEU A 49 11.234 1.553 3.252 1.00 72.41 H new ATOM 0 HD13 LEU A 49 10.147 0.162 3.027 1.00 72.41 H new ATOM 0 HD21 LEU A 49 8.761 1.280 0.516 1.00 43.41 H new ATOM 0 HD22 LEU A 49 7.895 0.536 1.881 1.00 43.41 H new ATOM 0 HD23 LEU A 49 7.470 2.179 1.347 1.00 43.41 H new ATOM 789 N SER A 50 7.335 4.400 5.927 1.00 40.14 N ATOM 790 CA SER A 50 6.786 4.675 7.243 1.00 33.12 C ATOM 791 C SER A 50 5.363 5.199 7.119 1.00 14.22 C ATOM 792 O SER A 50 4.589 5.174 8.076 1.00 3.21 O ATOM 793 CB SER A 50 7.660 5.699 7.974 1.00 24.34 C ATOM 794 OG SER A 50 7.912 6.839 7.158 1.00 55.22 O ATOM 0 H SER A 50 8.083 5.032 5.643 1.00 40.14 H new ATOM 0 HA SER A 50 6.771 3.749 7.817 1.00 33.12 H new ATOM 0 HB2 SER A 50 7.167 6.010 8.895 1.00 24.34 H new ATOM 0 HB3 SER A 50 8.605 5.237 8.259 1.00 24.34 H new ATOM 0 HG SER A 50 7.188 7.490 7.273 1.00 55.22 H new ATOM 800 N GLU A 51 5.017 5.655 5.924 1.00 63.11 N ATOM 801 CA GLU A 51 3.708 6.255 5.697 1.00 52.12 C ATOM 802 C GLU A 51 2.678 5.184 5.359 1.00 22.44 C ATOM 803 O GLU A 51 1.471 5.438 5.374 1.00 42.12 O ATOM 804 CB GLU A 51 3.768 7.273 4.556 1.00 73.11 C ATOM 805 CG GLU A 51 5.010 8.154 4.569 1.00 34.10 C ATOM 806 CD GLU A 51 5.183 8.940 5.851 1.00 61.33 C ATOM 807 OE1 GLU A 51 5.771 8.404 6.809 1.00 71.11 O ATOM 808 OE2 GLU A 51 4.776 10.116 5.886 1.00 44.43 O ATOM 0 H GLU A 51 5.619 5.622 5.101 1.00 63.11 H new ATOM 0 HA GLU A 51 3.413 6.763 6.615 1.00 52.12 H new ATOM 0 HB2 GLU A 51 3.724 6.740 3.606 1.00 73.11 H new ATOM 0 HB3 GLU A 51 2.884 7.909 4.605 1.00 73.11 H new ATOM 0 HG2 GLU A 51 5.890 7.529 4.414 1.00 34.10 H new ATOM 0 HG3 GLU A 51 4.961 8.849 3.731 1.00 34.10 H new ATOM 815 N LEU A 52 3.161 3.983 5.064 1.00 63.23 N ATOM 816 CA LEU A 52 2.310 2.925 4.551 1.00 53.34 C ATOM 817 C LEU A 52 2.162 1.776 5.541 1.00 53.02 C ATOM 818 O LEU A 52 3.115 1.400 6.227 1.00 63.01 O ATOM 819 CB LEU A 52 2.896 2.382 3.250 1.00 73.21 C ATOM 820 CG LEU A 52 3.065 3.409 2.131 1.00 42.24 C ATOM 821 CD1 LEU A 52 3.731 2.766 0.929 1.00 4.41 C ATOM 822 CD2 LEU A 52 1.719 4.006 1.743 1.00 52.24 C ATOM 0 H LEU A 52 4.141 3.721 5.173 1.00 63.23 H new ATOM 0 HA LEU A 52 1.323 3.355 4.380 1.00 53.34 H new ATOM 0 HB2 LEU A 52 3.869 1.940 3.465 1.00 73.21 H new ATOM 0 HB3 LEU A 52 2.254 1.578 2.889 1.00 73.21 H new ATOM 0 HG LEU A 52 3.702 4.216 2.492 1.00 42.24 H new ATOM 0 HD11 LEU A 52 3.847 3.507 0.138 1.00 4.41 H new ATOM 0 HD12 LEU A 52 4.711 2.386 1.216 1.00 4.41 H new ATOM 0 HD13 LEU A 52 3.114 1.943 0.568 1.00 4.41 H new ATOM 0 HD21 LEU A 52 1.861 4.735 0.945 1.00 52.24 H new ATOM 0 HD22 LEU A 52 1.056 3.213 1.397 1.00 52.24 H new ATOM 0 HD23 LEU A 52 1.276 4.498 2.609 1.00 52.24 H new ATOM 834 N GLU A 53 0.957 1.236 5.617 1.00 60.34 N ATOM 835 CA GLU A 53 0.719 -0.014 6.320 1.00 62.51 C ATOM 836 C GLU A 53 0.227 -1.066 5.342 1.00 23.12 C ATOM 837 O GLU A 53 -0.869 -0.944 4.796 1.00 34.33 O ATOM 838 CB GLU A 53 -0.315 0.143 7.430 1.00 31.31 C ATOM 839 CG GLU A 53 0.147 0.971 8.612 1.00 0.45 C ATOM 840 CD GLU A 53 -0.760 0.779 9.804 1.00 3.20 C ATOM 841 OE1 GLU A 53 -1.924 1.224 9.746 1.00 24.02 O ATOM 842 OE2 GLU A 53 -0.331 0.142 10.787 1.00 10.13 O ATOM 0 H GLU A 53 0.123 1.647 5.197 1.00 60.34 H new ATOM 0 HA GLU A 53 1.664 -0.318 6.771 1.00 62.51 H new ATOM 0 HB2 GLU A 53 -1.211 0.601 7.011 1.00 31.31 H new ATOM 0 HB3 GLU A 53 -0.599 -0.847 7.786 1.00 31.31 H new ATOM 0 HG2 GLU A 53 1.166 0.691 8.879 1.00 0.45 H new ATOM 0 HG3 GLU A 53 0.168 2.025 8.334 1.00 0.45 H new ATOM 849 N ALA A 54 1.038 -2.084 5.111 1.00 12.23 N ATOM 850 CA ALA A 54 0.638 -3.189 4.256 1.00 43.51 C ATOM 851 C ALA A 54 -0.513 -3.949 4.898 1.00 55.11 C ATOM 852 O ALA A 54 -0.485 -4.219 6.102 1.00 23.31 O ATOM 853 CB ALA A 54 1.816 -4.116 3.998 1.00 54.55 C ATOM 0 H ALA A 54 1.976 -2.169 5.503 1.00 12.23 H new ATOM 0 HA ALA A 54 0.304 -2.792 3.298 1.00 43.51 H new ATOM 0 HB1 ALA A 54 1.499 -4.938 3.356 1.00 54.55 H new ATOM 0 HB2 ALA A 54 2.616 -3.561 3.508 1.00 54.55 H new ATOM 0 HB3 ALA A 54 2.179 -4.515 4.945 1.00 54.55 H new ATOM 859 N VAL A 55 -1.535 -4.261 4.115 1.00 52.54 N ATOM 860 CA VAL A 55 -2.685 -4.987 4.635 1.00 44.24 C ATOM 861 C VAL A 55 -2.361 -6.469 4.708 1.00 14.33 C ATOM 862 O VAL A 55 -1.497 -6.953 3.972 1.00 52.43 O ATOM 863 CB VAL A 55 -3.950 -4.798 3.771 1.00 40.41 C ATOM 864 CG1 VAL A 55 -5.210 -5.051 4.586 1.00 35.30 C ATOM 865 CG2 VAL A 55 -3.988 -3.416 3.137 1.00 23.42 C ATOM 0 H VAL A 55 -1.592 -4.025 3.124 1.00 52.54 H new ATOM 0 HA VAL A 55 -2.894 -4.583 5.625 1.00 44.24 H new ATOM 0 HB VAL A 55 -3.910 -5.533 2.967 1.00 40.41 H new ATOM 0 HG11 VAL A 55 -6.087 -4.911 3.954 1.00 35.30 H new ATOM 0 HG12 VAL A 55 -5.197 -6.072 4.968 1.00 35.30 H new ATOM 0 HG13 VAL A 55 -5.250 -4.352 5.421 1.00 35.30 H new ATOM 0 HG21 VAL A 55 -4.892 -3.316 2.535 1.00 23.42 H new ATOM 0 HG22 VAL A 55 -3.987 -2.657 3.919 1.00 23.42 H new ATOM 0 HG23 VAL A 55 -3.113 -3.283 2.501 1.00 23.42 H new