USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 608 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 53 THR OG1 : rot 6:sc= 0.147 USER MOD Set 1.2: A 56 SER OG : rot -140:sc= 1.43 USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0.876 USER MOD Set 2.2: A 60 THR OG1 : rot -80:sc= 1.01 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 74:sc= 1.21 USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0298) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -6:sc= -4.85! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.451 K(o=-0.45,f=-8.8!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00186 USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= 1.25 (180deg=0.916) USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= 1.24 (180deg=1.05) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= 0.813 (180deg=0.697) USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= -0.0211 (180deg=-0.157) USER MOD Single : A 78 THR OG1 : rot 6:sc= 0.471 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N PHE A 6 12.955 -2.487 -7.558 1.00 75.31 N ATOM 62 CA PHE A 6 13.473 -2.370 -6.199 1.00 42.11 C ATOM 63 C PHE A 6 14.417 -3.523 -5.878 1.00 61.30 C ATOM 64 O PHE A 6 14.720 -4.347 -6.742 1.00 64.12 O ATOM 65 CB PHE A 6 12.323 -2.344 -5.187 1.00 33.42 C ATOM 66 CG PHE A 6 11.428 -1.146 -5.320 1.00 1.34 C ATOM 67 CD1 PHE A 6 11.793 0.070 -4.766 1.00 42.22 C ATOM 68 CD2 PHE A 6 10.224 -1.237 -5.998 1.00 34.35 C ATOM 69 CE1 PHE A 6 10.975 1.175 -4.886 1.00 53.22 C ATOM 70 CE2 PHE A 6 9.400 -0.136 -6.121 1.00 13.05 C ATOM 71 CZ PHE A 6 9.776 1.073 -5.565 1.00 12.41 C ATOM 0 HA PHE A 6 14.028 -1.434 -6.130 1.00 42.11 H new ATOM 0 HB2 PHE A 6 11.725 -3.248 -5.306 1.00 33.42 H new ATOM 0 HB3 PHE A 6 12.737 -2.367 -4.179 1.00 33.42 H new ATOM 0 HD1 PHE A 6 12.729 0.154 -4.234 1.00 42.22 H new ATOM 0 HD2 PHE A 6 9.927 -2.179 -6.435 1.00 34.35 H new ATOM 0 HE1 PHE A 6 11.271 2.118 -4.450 1.00 53.22 H new ATOM 0 HE2 PHE A 6 8.463 -0.219 -6.651 1.00 13.05 H new ATOM 0 HZ PHE A 6 9.134 1.936 -5.661 1.00 12.41 H new ATOM 81 N ILE A 7 14.876 -3.567 -4.632 1.00 3.32 N ATOM 82 CA ILE A 7 15.775 -4.620 -4.170 1.00 64.55 C ATOM 83 C ILE A 7 15.151 -5.990 -4.409 1.00 43.02 C ATOM 84 O ILE A 7 15.750 -6.861 -5.041 1.00 33.44 O ATOM 85 CB ILE A 7 16.095 -4.456 -2.668 1.00 61.02 C ATOM 86 CG1 ILE A 7 16.595 -3.038 -2.382 1.00 62.31 C ATOM 87 CG2 ILE A 7 17.130 -5.483 -2.228 1.00 3.11 C ATOM 88 CD1 ILE A 7 16.800 -2.750 -0.911 1.00 54.14 C ATOM 0 H ILE A 7 14.638 -2.879 -3.918 1.00 3.32 H new ATOM 0 HA ILE A 7 16.703 -4.539 -4.736 1.00 64.55 H new ATOM 0 HB ILE A 7 15.180 -4.623 -2.099 1.00 61.02 H new ATOM 0 HG12 ILE A 7 17.537 -2.881 -2.908 1.00 62.31 H new ATOM 0 HG13 ILE A 7 15.880 -2.322 -2.787 1.00 62.31 H new ATOM 0 HG21 ILE A 7 17.344 -5.353 -1.167 1.00 3.11 H new ATOM 0 HG22 ILE A 7 16.742 -6.487 -2.400 1.00 3.11 H new ATOM 0 HG23 ILE A 7 18.046 -5.345 -2.802 1.00 3.11 H new ATOM 0 HD11 ILE A 7 17.155 -1.727 -0.787 1.00 54.14 H new ATOM 0 HD12 ILE A 7 15.856 -2.874 -0.381 1.00 54.14 H new ATOM 0 HD13 ILE A 7 17.538 -3.442 -0.504 1.00 54.14 H new ATOM 100 N ILE A 8 13.942 -6.165 -3.901 1.00 62.35 N ATOM 101 CA ILE A 8 13.183 -7.380 -4.133 1.00 71.34 C ATOM 102 C ILE A 8 12.526 -7.331 -5.508 1.00 52.41 C ATOM 103 O ILE A 8 11.949 -6.314 -5.899 1.00 2.30 O ATOM 104 CB ILE A 8 12.109 -7.589 -3.040 1.00 32.31 C ATOM 105 CG1 ILE A 8 12.778 -7.742 -1.672 1.00 23.43 C ATOM 106 CG2 ILE A 8 11.248 -8.808 -3.353 1.00 3.15 C ATOM 107 CD1 ILE A 8 11.802 -7.806 -0.518 1.00 21.41 C ATOM 0 H ILE A 8 13.464 -5.475 -3.322 1.00 62.35 H new ATOM 0 HA ILE A 8 13.874 -8.222 -4.093 1.00 71.34 H new ATOM 0 HB ILE A 8 11.460 -6.714 -3.019 1.00 32.31 H new ATOM 0 HG12 ILE A 8 13.384 -8.648 -1.674 1.00 23.43 H new ATOM 0 HG13 ILE A 8 13.458 -6.904 -1.515 1.00 23.43 H new ATOM 0 HG21 ILE A 8 10.500 -8.935 -2.571 1.00 3.15 H new ATOM 0 HG22 ILE A 8 10.750 -8.665 -4.312 1.00 3.15 H new ATOM 0 HG23 ILE A 8 11.878 -9.696 -3.400 1.00 3.15 H new ATOM 0 HD11 ILE A 8 12.351 -7.915 0.417 1.00 21.41 H new ATOM 0 HD12 ILE A 8 11.213 -6.890 -0.489 1.00 21.41 H new ATOM 0 HD13 ILE A 8 11.138 -8.660 -0.650 1.00 21.41 H new ATOM 119 N LYS A 9 12.637 -8.428 -6.240 1.00 41.41 N ATOM 120 CA LYS A 9 12.086 -8.523 -7.581 1.00 42.33 C ATOM 121 C LYS A 9 10.600 -8.858 -7.540 1.00 0.35 C ATOM 122 O LYS A 9 10.038 -9.110 -6.473 1.00 61.44 O ATOM 123 CB LYS A 9 12.827 -9.605 -8.364 1.00 42.21 C ATOM 124 CG LYS A 9 14.318 -9.351 -8.513 1.00 42.53 C ATOM 125 CD LYS A 9 15.027 -10.563 -9.093 1.00 30.53 C ATOM 126 CE LYS A 9 14.941 -11.757 -8.156 1.00 61.04 C ATOM 127 NZ LYS A 9 15.521 -12.982 -8.758 1.00 61.10 N ATOM 0 H LYS A 9 13.110 -9.274 -5.922 1.00 41.41 H new ATOM 0 HA LYS A 9 12.210 -7.557 -8.071 1.00 42.33 H new ATOM 0 HB2 LYS A 9 12.680 -10.564 -7.866 1.00 42.21 H new ATOM 0 HB3 LYS A 9 12.383 -9.690 -9.356 1.00 42.21 H new ATOM 0 HG2 LYS A 9 14.480 -8.488 -9.159 1.00 42.53 H new ATOM 0 HG3 LYS A 9 14.747 -9.106 -7.541 1.00 42.53 H new ATOM 0 HD2 LYS A 9 14.583 -10.820 -10.055 1.00 30.53 H new ATOM 0 HD3 LYS A 9 16.073 -10.320 -9.280 1.00 30.53 H new ATOM 0 HE2 LYS A 9 15.464 -11.527 -7.228 1.00 61.04 H new ATOM 0 HE3 LYS A 9 13.898 -11.940 -7.897 1.00 61.04 H new ATOM 0 HZ1 LYS A 9 15.441 -13.771 -8.085 1.00 61.10 H new ATOM 0 HZ2 LYS A 9 15.006 -13.218 -9.630 1.00 61.10 H new ATOM 0 HZ3 LYS A 9 16.523 -12.818 -8.982 1.00 61.10 H new ATOM 141 N GLU A 10 9.969 -8.842 -8.707 1.00 44.50 N ATOM 142 CA GLU A 10 8.597 -9.286 -8.851 1.00 55.22 C ATOM 143 C GLU A 10 8.496 -10.787 -8.609 1.00 2.33 C ATOM 144 O GLU A 10 9.510 -11.489 -8.568 1.00 34.22 O ATOM 145 CB GLU A 10 8.119 -8.954 -10.255 1.00 23.31 C ATOM 146 CG GLU A 10 6.869 -8.108 -10.297 1.00 12.51 C ATOM 147 CD GLU A 10 5.613 -8.947 -10.322 1.00 22.44 C ATOM 148 OE1 GLU A 10 5.199 -9.437 -9.256 1.00 21.14 O ATOM 149 OE2 GLU A 10 5.050 -9.143 -11.419 1.00 1.44 O ATOM 0 H GLU A 10 10.396 -8.521 -9.576 1.00 44.50 H new ATOM 0 HA GLU A 10 7.972 -8.778 -8.116 1.00 55.22 H new ATOM 0 HB2 GLU A 10 8.916 -8.432 -10.785 1.00 23.31 H new ATOM 0 HB3 GLU A 10 7.934 -9.883 -10.793 1.00 23.31 H new ATOM 0 HG2 GLU A 10 6.848 -7.451 -9.428 1.00 12.51 H new ATOM 0 HG3 GLU A 10 6.894 -7.469 -11.179 1.00 12.51 H new ATOM 156 N GLY A 11 7.277 -11.280 -8.484 1.00 20.14 N ATOM 157 CA GLY A 11 7.076 -12.687 -8.211 1.00 34.22 C ATOM 158 C GLY A 11 5.667 -12.995 -7.749 1.00 32.10 C ATOM 159 O GLY A 11 4.884 -12.089 -7.473 1.00 24.41 O ATOM 0 H GLY A 11 6.421 -10.732 -8.567 1.00 20.14 H new ATOM 0 HA2 GLY A 11 7.293 -13.263 -9.111 1.00 34.22 H new ATOM 0 HA3 GLY A 11 7.784 -13.010 -7.447 1.00 34.22 H new ATOM 163 N ASP A 12 5.359 -14.279 -7.652 1.00 24.43 N ATOM 164 CA ASP A 12 4.023 -14.740 -7.269 1.00 11.42 C ATOM 165 C ASP A 12 3.678 -14.292 -5.857 1.00 40.14 C ATOM 166 O ASP A 12 2.531 -13.958 -5.548 1.00 71.13 O ATOM 167 CB ASP A 12 3.940 -16.270 -7.339 1.00 62.11 C ATOM 168 CG ASP A 12 4.276 -16.832 -8.707 1.00 61.52 C ATOM 169 OD1 ASP A 12 5.478 -16.992 -9.012 1.00 22.43 O ATOM 170 OD2 ASP A 12 3.342 -17.149 -9.470 1.00 24.12 O ATOM 0 H ASP A 12 6.022 -15.033 -7.835 1.00 24.43 H new ATOM 0 HA ASP A 12 3.311 -14.303 -7.969 1.00 11.42 H new ATOM 0 HB2 ASP A 12 4.621 -16.697 -6.602 1.00 62.11 H new ATOM 0 HB3 ASP A 12 2.933 -16.584 -7.063 1.00 62.11 H new ATOM 175 N GLU A 13 4.689 -14.278 -5.013 1.00 71.30 N ATOM 176 CA GLU A 13 4.525 -13.943 -3.607 1.00 34.02 C ATOM 177 C GLU A 13 4.855 -12.475 -3.353 1.00 11.01 C ATOM 178 O GLU A 13 4.997 -12.051 -2.209 1.00 4.03 O ATOM 179 CB GLU A 13 5.422 -14.850 -2.758 1.00 14.14 C ATOM 180 CG GLU A 13 6.885 -14.834 -3.183 1.00 1.42 C ATOM 181 CD GLU A 13 7.669 -15.998 -2.613 1.00 41.24 C ATOM 182 OE1 GLU A 13 7.539 -17.121 -3.147 1.00 65.14 O ATOM 183 OE2 GLU A 13 8.431 -15.802 -1.647 1.00 72.44 O ATOM 0 H GLU A 13 5.649 -14.498 -5.279 1.00 71.30 H new ATOM 0 HA GLU A 13 3.484 -14.102 -3.327 1.00 34.02 H new ATOM 0 HB2 GLU A 13 5.352 -14.542 -1.715 1.00 14.14 H new ATOM 0 HB3 GLU A 13 5.047 -15.872 -2.814 1.00 14.14 H new ATOM 0 HG2 GLU A 13 6.944 -14.859 -4.271 1.00 1.42 H new ATOM 0 HG3 GLU A 13 7.343 -13.899 -2.860 1.00 1.42 H new ATOM 190 N VAL A 14 4.957 -11.701 -4.425 1.00 32.43 N ATOM 191 CA VAL A 14 5.355 -10.305 -4.327 1.00 34.51 C ATOM 192 C VAL A 14 4.252 -9.389 -4.850 1.00 41.54 C ATOM 193 O VAL A 14 3.669 -9.649 -5.901 1.00 51.50 O ATOM 194 CB VAL A 14 6.651 -10.042 -5.125 1.00 23.23 C ATOM 195 CG1 VAL A 14 7.088 -8.593 -4.991 1.00 34.31 C ATOM 196 CG2 VAL A 14 7.762 -10.980 -4.678 1.00 41.33 C ATOM 0 H VAL A 14 4.769 -12.019 -5.376 1.00 32.43 H new ATOM 0 HA VAL A 14 5.534 -10.090 -3.273 1.00 34.51 H new ATOM 0 HB VAL A 14 6.442 -10.237 -6.177 1.00 23.23 H new ATOM 0 HG11 VAL A 14 8.003 -8.435 -5.562 1.00 34.31 H new ATOM 0 HG12 VAL A 14 6.304 -7.940 -5.373 1.00 34.31 H new ATOM 0 HG13 VAL A 14 7.272 -8.364 -3.941 1.00 34.31 H new ATOM 0 HG21 VAL A 14 8.664 -10.776 -5.254 1.00 41.33 H new ATOM 0 HG22 VAL A 14 7.965 -10.825 -3.618 1.00 41.33 H new ATOM 0 HG23 VAL A 14 7.454 -12.013 -4.841 1.00 41.33 H new ATOM 206 N ALA A 15 3.955 -8.337 -4.100 1.00 4.25 N ATOM 207 CA ALA A 15 2.987 -7.335 -4.527 1.00 2.31 C ATOM 208 C ALA A 15 3.435 -5.950 -4.082 1.00 40.41 C ATOM 209 O ALA A 15 3.516 -5.671 -2.885 1.00 22.44 O ATOM 210 CB ALA A 15 1.601 -7.645 -3.968 1.00 13.21 C ATOM 0 H ALA A 15 4.373 -8.154 -3.188 1.00 4.25 H new ATOM 0 HA ALA A 15 2.929 -7.357 -5.615 1.00 2.31 H new ATOM 0 HB1 ALA A 15 0.896 -6.883 -4.300 1.00 13.21 H new ATOM 0 HB2 ALA A 15 1.275 -8.622 -4.325 1.00 13.21 H new ATOM 0 HB3 ALA A 15 1.641 -7.652 -2.879 1.00 13.21 H new ATOM 216 N ASP A 16 3.763 -5.092 -5.037 1.00 42.20 N ATOM 217 CA ASP A 16 4.124 -3.725 -4.718 1.00 61.12 C ATOM 218 C ASP A 16 2.940 -2.798 -4.911 1.00 51.41 C ATOM 219 O ASP A 16 2.220 -2.871 -5.909 1.00 50.41 O ATOM 220 CB ASP A 16 5.338 -3.235 -5.525 1.00 63.42 C ATOM 221 CG ASP A 16 5.178 -3.330 -7.030 1.00 1.04 C ATOM 222 OD1 ASP A 16 4.594 -2.410 -7.638 1.00 63.31 O ATOM 223 OD2 ASP A 16 5.678 -4.311 -7.619 1.00 71.35 O ATOM 0 H ASP A 16 3.786 -5.319 -6.031 1.00 42.20 H new ATOM 0 HA ASP A 16 4.414 -3.709 -3.667 1.00 61.12 H new ATOM 0 HB2 ASP A 16 5.539 -2.197 -5.259 1.00 63.42 H new ATOM 0 HB3 ASP A 16 6.212 -3.815 -5.229 1.00 63.42 H new ATOM 228 N VAL A 17 2.735 -1.942 -3.929 1.00 13.23 N ATOM 229 CA VAL A 17 1.632 -1.000 -3.950 1.00 20.43 C ATOM 230 C VAL A 17 2.169 0.417 -3.935 1.00 34.12 C ATOM 231 O VAL A 17 3.086 0.740 -3.178 1.00 15.24 O ATOM 232 CB VAL A 17 0.683 -1.188 -2.747 1.00 54.25 C ATOM 233 CG1 VAL A 17 -0.585 -0.359 -2.913 1.00 30.05 C ATOM 234 CG2 VAL A 17 0.345 -2.658 -2.541 1.00 14.41 C ATOM 0 H VAL A 17 3.324 -1.879 -3.099 1.00 13.23 H new ATOM 0 HA VAL A 17 1.065 -1.186 -4.862 1.00 20.43 H new ATOM 0 HB VAL A 17 1.202 -0.833 -1.857 1.00 54.25 H new ATOM 0 HG11 VAL A 17 -1.235 -0.511 -2.051 1.00 30.05 H new ATOM 0 HG12 VAL A 17 -0.323 0.696 -2.988 1.00 30.05 H new ATOM 0 HG13 VAL A 17 -1.106 -0.668 -3.819 1.00 30.05 H new ATOM 0 HG21 VAL A 17 -0.325 -2.761 -1.687 1.00 14.41 H new ATOM 0 HG22 VAL A 17 -0.143 -3.048 -3.434 1.00 14.41 H new ATOM 0 HG23 VAL A 17 1.261 -3.219 -2.354 1.00 14.41 H new ATOM 244 N THR A 18 1.599 1.251 -4.774 1.00 24.45 N ATOM 245 CA THR A 18 2.021 2.623 -4.884 1.00 43.41 C ATOM 246 C THR A 18 1.040 3.533 -4.155 1.00 0.11 C ATOM 247 O THR A 18 -0.177 3.469 -4.367 1.00 31.22 O ATOM 248 CB THR A 18 2.151 3.040 -6.360 1.00 51.22 C ATOM 249 OG1 THR A 18 3.066 2.160 -7.031 1.00 61.11 O ATOM 250 CG2 THR A 18 2.644 4.476 -6.483 1.00 61.31 C ATOM 0 H THR A 18 0.832 0.996 -5.396 1.00 24.45 H new ATOM 0 HA THR A 18 3.002 2.721 -4.419 1.00 43.41 H new ATOM 0 HB THR A 18 1.166 2.974 -6.822 1.00 51.22 H new ATOM 0 HG1 THR A 18 3.146 2.426 -7.971 1.00 61.11 H new ATOM 0 HG21 THR A 18 2.726 4.743 -7.536 1.00 61.31 H new ATOM 0 HG22 THR A 18 1.938 5.146 -5.993 1.00 61.31 H new ATOM 0 HG23 THR A 18 3.621 4.567 -6.008 1.00 61.31 H new ATOM 258 N ILE A 19 1.578 4.344 -3.268 1.00 33.43 N ATOM 259 CA ILE A 19 0.784 5.269 -2.480 1.00 53.14 C ATOM 260 C ILE A 19 0.839 6.658 -3.095 1.00 0.35 C ATOM 261 O ILE A 19 1.875 7.072 -3.615 1.00 30.25 O ATOM 262 CB ILE A 19 1.283 5.330 -1.019 1.00 64.23 C ATOM 263 CG1 ILE A 19 1.329 3.919 -0.412 1.00 30.31 C ATOM 264 CG2 ILE A 19 0.412 6.253 -0.174 1.00 51.32 C ATOM 265 CD1 ILE A 19 1.887 3.875 0.998 1.00 74.12 C ATOM 0 H ILE A 19 2.578 4.382 -3.072 1.00 33.43 H new ATOM 0 HA ILE A 19 -0.245 4.910 -2.478 1.00 53.14 H new ATOM 0 HB ILE A 19 2.292 5.741 -1.023 1.00 64.23 H new ATOM 0 HG12 ILE A 19 0.321 3.503 -0.407 1.00 30.31 H new ATOM 0 HG13 ILE A 19 1.935 3.278 -1.052 1.00 30.31 H new ATOM 0 HG21 ILE A 19 0.789 6.274 0.848 1.00 51.32 H new ATOM 0 HG22 ILE A 19 0.437 7.260 -0.591 1.00 51.32 H new ATOM 0 HG23 ILE A 19 -0.614 5.886 -0.174 1.00 51.32 H new ATOM 0 HD11 ILE A 19 1.887 2.846 1.357 1.00 74.12 H new ATOM 0 HD12 ILE A 19 2.907 4.259 0.998 1.00 74.12 H new ATOM 0 HD13 ILE A 19 1.268 4.488 1.653 1.00 74.12 H new ATOM 277 N PHE A 20 -0.280 7.358 -3.042 1.00 12.51 N ATOM 278 CA PHE A 20 -0.380 8.699 -3.585 1.00 43.10 C ATOM 279 C PHE A 20 -0.993 9.630 -2.555 1.00 1.00 C ATOM 280 O PHE A 20 -1.994 9.295 -1.919 1.00 12.55 O ATOM 281 CB PHE A 20 -1.250 8.728 -4.840 1.00 43.45 C ATOM 282 CG PHE A 20 -0.774 7.851 -5.962 1.00 30.42 C ATOM 283 CD1 PHE A 20 0.145 8.323 -6.885 1.00 73.25 C ATOM 284 CD2 PHE A 20 -1.257 6.559 -6.103 1.00 62.33 C ATOM 285 CE1 PHE A 20 0.577 7.524 -7.926 1.00 60.15 C ATOM 286 CE2 PHE A 20 -0.829 5.756 -7.143 1.00 3.23 C ATOM 287 CZ PHE A 20 0.089 6.239 -8.055 1.00 34.52 C ATOM 0 H PHE A 20 -1.143 7.013 -2.622 1.00 12.51 H new ATOM 0 HA PHE A 20 0.628 9.025 -3.843 1.00 43.10 H new ATOM 0 HB2 PHE A 20 -2.262 8.428 -4.569 1.00 43.45 H new ATOM 0 HB3 PHE A 20 -1.307 9.755 -5.201 1.00 43.45 H new ATOM 0 HD1 PHE A 20 0.529 9.328 -6.790 1.00 73.25 H new ATOM 0 HD2 PHE A 20 -1.975 6.176 -5.393 1.00 62.33 H new ATOM 0 HE1 PHE A 20 1.295 7.904 -8.638 1.00 60.15 H new ATOM 0 HE2 PHE A 20 -1.212 4.751 -7.243 1.00 3.23 H new ATOM 0 HZ PHE A 20 0.425 5.612 -8.868 1.00 34.52 H new ATOM 297 N ALA A 21 -0.390 10.791 -2.407 1.00 2.32 N ATOM 298 CA ALA A 21 -0.888 11.813 -1.503 1.00 54.52 C ATOM 299 C ALA A 21 -0.286 13.160 -1.861 1.00 25.24 C ATOM 300 O ALA A 21 0.431 13.281 -2.853 1.00 40.31 O ATOM 301 CB ALA A 21 -0.591 11.457 -0.057 1.00 60.11 C ATOM 0 H ALA A 21 0.458 11.055 -2.908 1.00 2.32 H new ATOM 0 HA ALA A 21 -1.971 11.872 -1.612 1.00 54.52 H new ATOM 0 HB1 ALA A 21 -0.975 12.240 0.597 1.00 60.11 H new ATOM 0 HB2 ALA A 21 -1.071 10.510 0.190 1.00 60.11 H new ATOM 0 HB3 ALA A 21 0.486 11.365 0.081 1.00 60.11 H new ATOM 307 N GLU A 22 -0.577 14.167 -1.062 1.00 44.53 N ATOM 308 CA GLU A 22 -0.135 15.516 -1.362 1.00 43.22 C ATOM 309 C GLU A 22 1.270 15.779 -0.840 1.00 22.24 C ATOM 310 O GLU A 22 2.044 16.502 -1.468 1.00 43.04 O ATOM 311 CB GLU A 22 -1.116 16.520 -0.770 1.00 60.42 C ATOM 312 CG GLU A 22 -2.528 16.361 -1.311 1.00 35.44 C ATOM 313 CD GLU A 22 -2.596 16.557 -2.812 1.00 21.25 C ATOM 314 OE1 GLU A 22 -2.699 17.718 -3.259 1.00 4.30 O ATOM 315 OE2 GLU A 22 -2.535 15.553 -3.553 1.00 41.40 O ATOM 0 H GLU A 22 -1.117 14.078 -0.201 1.00 44.53 H new ATOM 0 HA GLU A 22 -0.106 15.629 -2.446 1.00 43.22 H new ATOM 0 HB2 GLU A 22 -1.133 16.407 0.314 1.00 60.42 H new ATOM 0 HB3 GLU A 22 -0.764 17.530 -0.979 1.00 60.42 H new ATOM 0 HG2 GLU A 22 -2.901 15.368 -1.060 1.00 35.44 H new ATOM 0 HG3 GLU A 22 -3.185 17.081 -0.823 1.00 35.44 H new ATOM 322 N THR A 23 1.605 15.180 0.295 1.00 12.04 N ATOM 323 CA THR A 23 2.872 15.462 0.955 1.00 12.34 C ATOM 324 C THR A 23 3.566 14.186 1.419 1.00 1.34 C ATOM 325 O THR A 23 2.936 13.131 1.531 1.00 2.33 O ATOM 326 CB THR A 23 2.659 16.370 2.183 1.00 70.34 C ATOM 327 OG1 THR A 23 1.687 15.779 3.059 1.00 75.42 O ATOM 328 CG2 THR A 23 2.200 17.761 1.771 1.00 42.04 C ATOM 0 H THR A 23 1.019 14.498 0.776 1.00 12.04 H new ATOM 0 HA THR A 23 3.501 15.964 0.219 1.00 12.34 H new ATOM 0 HB THR A 23 3.613 16.468 2.702 1.00 70.34 H new ATOM 0 HG1 THR A 23 1.555 16.357 3.839 1.00 75.42 H new ATOM 0 HG21 THR A 23 2.059 18.376 2.660 1.00 42.04 H new ATOM 0 HG22 THR A 23 2.954 18.218 1.130 1.00 42.04 H new ATOM 0 HG23 THR A 23 1.258 17.687 1.228 1.00 42.04 H new ATOM 336 N LYS A 24 4.864 14.301 1.691 1.00 0.03 N ATOM 337 CA LYS A 24 5.637 13.216 2.292 1.00 22.20 C ATOM 338 C LYS A 24 4.981 12.754 3.585 1.00 53.41 C ATOM 339 O LYS A 24 4.869 11.562 3.853 1.00 34.15 O ATOM 340 CB LYS A 24 7.052 13.700 2.600 1.00 61.02 C ATOM 341 CG LYS A 24 7.896 12.684 3.349 1.00 44.14 C ATOM 342 CD LYS A 24 9.183 13.304 3.860 1.00 13.24 C ATOM 343 CE LYS A 24 9.932 12.350 4.774 1.00 13.13 C ATOM 344 NZ LYS A 24 11.149 12.976 5.353 1.00 44.52 N ATOM 0 H LYS A 24 5.407 15.144 1.502 1.00 0.03 H new ATOM 0 HA LYS A 24 5.674 12.385 1.588 1.00 22.20 H new ATOM 0 HB2 LYS A 24 7.551 13.955 1.665 1.00 61.02 H new ATOM 0 HB3 LYS A 24 6.993 14.615 3.189 1.00 61.02 H new ATOM 0 HG2 LYS A 24 7.326 12.282 4.187 1.00 44.14 H new ATOM 0 HG3 LYS A 24 8.130 11.847 2.691 1.00 44.14 H new ATOM 0 HD2 LYS A 24 9.818 13.576 3.017 1.00 13.24 H new ATOM 0 HD3 LYS A 24 8.957 14.224 4.399 1.00 13.24 H new ATOM 0 HE2 LYS A 24 9.273 12.026 5.579 1.00 13.13 H new ATOM 0 HE3 LYS A 24 10.214 11.458 4.215 1.00 13.13 H new ATOM 0 HZ1 LYS A 24 11.631 12.292 5.970 1.00 44.52 H new ATOM 0 HZ2 LYS A 24 11.791 13.262 4.586 1.00 44.52 H new ATOM 0 HZ3 LYS A 24 10.878 13.813 5.908 1.00 44.52 H new ATOM 358 N ASP A 25 4.560 13.728 4.375 1.00 21.14 N ATOM 359 CA ASP A 25 3.865 13.483 5.635 1.00 75.42 C ATOM 360 C ASP A 25 2.661 12.569 5.432 1.00 52.22 C ATOM 361 O ASP A 25 2.488 11.583 6.154 1.00 25.31 O ATOM 362 CB ASP A 25 3.421 14.827 6.218 1.00 72.13 C ATOM 363 CG ASP A 25 2.521 14.698 7.429 1.00 63.55 C ATOM 364 OD1 ASP A 25 1.287 14.648 7.249 1.00 31.44 O ATOM 365 OD2 ASP A 25 3.040 14.692 8.563 1.00 44.25 O ATOM 0 H ASP A 25 4.690 14.717 4.162 1.00 21.14 H new ATOM 0 HA ASP A 25 4.542 12.982 6.326 1.00 75.42 H new ATOM 0 HB2 ASP A 25 4.304 15.403 6.493 1.00 72.13 H new ATOM 0 HB3 ASP A 25 2.898 15.393 5.447 1.00 72.13 H new ATOM 370 N ALA A 26 1.837 12.899 4.446 1.00 33.44 N ATOM 371 CA ALA A 26 0.674 12.084 4.120 1.00 32.15 C ATOM 372 C ALA A 26 1.105 10.696 3.650 1.00 31.12 C ATOM 373 O ALA A 26 0.518 9.690 4.048 1.00 23.52 O ATOM 374 CB ALA A 26 -0.178 12.778 3.067 1.00 42.44 C ATOM 0 H ALA A 26 1.952 13.725 3.858 1.00 33.44 H new ATOM 0 HA ALA A 26 0.071 11.960 5.019 1.00 32.15 H new ATOM 0 HB1 ALA A 26 -1.043 12.158 2.833 1.00 42.44 H new ATOM 0 HB2 ALA A 26 -0.515 13.742 3.449 1.00 42.44 H new ATOM 0 HB3 ALA A 26 0.413 12.932 2.164 1.00 42.44 H new ATOM 380 N LEU A 27 2.149 10.657 2.824 1.00 1.21 N ATOM 381 CA LEU A 27 2.733 9.397 2.365 1.00 42.15 C ATOM 382 C LEU A 27 3.125 8.523 3.549 1.00 71.33 C ATOM 383 O LEU A 27 2.752 7.354 3.617 1.00 73.31 O ATOM 384 CB LEU A 27 3.973 9.665 1.505 1.00 61.13 C ATOM 385 CG LEU A 27 3.769 9.630 -0.013 1.00 20.01 C ATOM 386 CD1 LEU A 27 2.675 10.584 -0.442 1.00 54.43 C ATOM 387 CD2 LEU A 27 5.067 9.964 -0.726 1.00 64.44 C ATOM 0 H LEU A 27 2.611 11.489 2.457 1.00 1.21 H new ATOM 0 HA LEU A 27 1.983 8.877 1.769 1.00 42.15 H new ATOM 0 HB2 LEU A 27 4.370 10.644 1.774 1.00 61.13 H new ATOM 0 HB3 LEU A 27 4.734 8.929 1.765 1.00 61.13 H new ATOM 0 HG LEU A 27 3.462 8.621 -0.288 1.00 20.01 H new ATOM 0 HD11 LEU A 27 2.554 10.536 -1.524 1.00 54.43 H new ATOM 0 HD12 LEU A 27 1.738 10.304 0.040 1.00 54.43 H new ATOM 0 HD13 LEU A 27 2.943 11.600 -0.151 1.00 54.43 H new ATOM 0 HD21 LEU A 27 4.908 9.936 -1.804 1.00 64.44 H new ATOM 0 HD22 LEU A 27 5.396 10.961 -0.434 1.00 64.44 H new ATOM 0 HD23 LEU A 27 5.830 9.235 -0.453 1.00 64.44 H new ATOM 399 N GLU A 28 3.872 9.107 4.481 1.00 51.04 N ATOM 400 CA GLU A 28 4.327 8.405 5.668 1.00 11.11 C ATOM 401 C GLU A 28 3.151 7.896 6.497 1.00 12.01 C ATOM 402 O GLU A 28 3.193 6.786 7.031 1.00 11.41 O ATOM 403 CB GLU A 28 5.212 9.327 6.506 1.00 24.02 C ATOM 404 CG GLU A 28 6.600 9.531 5.924 1.00 14.11 C ATOM 405 CD GLU A 28 7.563 10.143 6.917 1.00 21.11 C ATOM 406 OE1 GLU A 28 7.443 11.347 7.209 1.00 54.52 O ATOM 407 OE2 GLU A 28 8.445 9.412 7.421 1.00 54.42 O ATOM 0 H GLU A 28 4.177 10.079 4.431 1.00 51.04 H new ATOM 0 HA GLU A 28 4.908 7.538 5.353 1.00 11.11 H new ATOM 0 HB2 GLU A 28 4.722 10.296 6.605 1.00 24.02 H new ATOM 0 HB3 GLU A 28 5.305 8.913 7.510 1.00 24.02 H new ATOM 0 HG2 GLU A 28 6.993 8.572 5.586 1.00 14.11 H new ATOM 0 HG3 GLU A 28 6.531 10.174 5.047 1.00 14.11 H new ATOM 414 N SER A 29 2.102 8.703 6.583 1.00 2.44 N ATOM 415 CA SER A 29 0.916 8.341 7.342 1.00 54.21 C ATOM 416 C SER A 29 0.234 7.115 6.736 1.00 2.12 C ATOM 417 O SER A 29 -0.134 6.176 7.445 1.00 53.42 O ATOM 418 CB SER A 29 -0.051 9.523 7.370 1.00 41.52 C ATOM 419 OG SER A 29 0.585 10.693 7.863 1.00 40.41 O ATOM 0 H SER A 29 2.050 9.617 6.133 1.00 2.44 H new ATOM 0 HA SER A 29 1.214 8.091 8.360 1.00 54.21 H new ATOM 0 HB2 SER A 29 -0.432 9.708 6.366 1.00 41.52 H new ATOM 0 HB3 SER A 29 -0.909 9.280 7.997 1.00 41.52 H new ATOM 0 HG SER A 29 1.187 11.052 7.178 1.00 40.41 H new ATOM 425 N GLU A 30 0.076 7.130 5.422 1.00 55.04 N ATOM 426 CA GLU A 30 -0.535 6.036 4.712 1.00 42.13 C ATOM 427 C GLU A 30 0.371 4.811 4.695 1.00 50.44 C ATOM 428 O GLU A 30 -0.100 3.677 4.792 1.00 51.12 O ATOM 429 CB GLU A 30 -0.848 6.494 3.299 1.00 44.04 C ATOM 430 CG GLU A 30 -1.994 7.483 3.236 1.00 43.12 C ATOM 431 CD GLU A 30 -2.384 7.828 1.819 1.00 64.33 C ATOM 432 OE1 GLU A 30 -2.627 6.898 1.027 1.00 34.34 O ATOM 433 OE2 GLU A 30 -2.463 9.030 1.495 1.00 42.30 O ATOM 0 H GLU A 30 0.370 7.903 4.825 1.00 55.04 H new ATOM 0 HA GLU A 30 -1.454 5.745 5.220 1.00 42.13 H new ATOM 0 HB2 GLU A 30 0.042 6.950 2.866 1.00 44.04 H new ATOM 0 HB3 GLU A 30 -1.091 5.625 2.687 1.00 44.04 H new ATOM 0 HG2 GLU A 30 -2.857 7.067 3.756 1.00 43.12 H new ATOM 0 HG3 GLU A 30 -1.713 8.394 3.764 1.00 43.12 H new ATOM 440 N LEU A 31 1.669 5.051 4.582 1.00 60.12 N ATOM 441 CA LEU A 31 2.656 3.983 4.588 1.00 4.01 C ATOM 442 C LEU A 31 2.557 3.191 5.879 1.00 21.03 C ATOM 443 O LEU A 31 2.537 1.961 5.869 1.00 73.42 O ATOM 444 CB LEU A 31 4.061 4.564 4.449 1.00 23.44 C ATOM 445 CG LEU A 31 5.170 3.544 4.180 1.00 73.40 C ATOM 446 CD1 LEU A 31 4.959 2.862 2.838 1.00 2.53 C ATOM 447 CD2 LEU A 31 6.534 4.215 4.233 1.00 74.02 C ATOM 0 H LEU A 31 2.065 5.986 4.484 1.00 60.12 H new ATOM 0 HA LEU A 31 2.459 3.321 3.745 1.00 4.01 H new ATOM 0 HB2 LEU A 31 4.056 5.292 3.638 1.00 23.44 H new ATOM 0 HB3 LEU A 31 4.303 5.106 5.363 1.00 23.44 H new ATOM 0 HG LEU A 31 5.131 2.782 4.958 1.00 73.40 H new ATOM 0 HD11 LEU A 31 5.758 2.141 2.667 1.00 2.53 H new ATOM 0 HD12 LEU A 31 3.999 2.346 2.839 1.00 2.53 H new ATOM 0 HD13 LEU A 31 4.968 3.609 2.045 1.00 2.53 H new ATOM 0 HD21 LEU A 31 7.311 3.475 4.040 1.00 74.02 H new ATOM 0 HD22 LEU A 31 6.583 4.999 3.478 1.00 74.02 H new ATOM 0 HD23 LEU A 31 6.686 4.652 5.220 1.00 74.02 H new ATOM 459 N ALA A 32 2.485 3.919 6.986 1.00 3.33 N ATOM 460 CA ALA A 32 2.347 3.315 8.305 1.00 53.11 C ATOM 461 C ALA A 32 1.141 2.376 8.365 1.00 35.12 C ATOM 462 O ALA A 32 1.219 1.294 8.950 1.00 52.42 O ATOM 463 CB ALA A 32 2.233 4.394 9.373 1.00 33.30 C ATOM 0 H ALA A 32 2.520 4.938 6.996 1.00 3.33 H new ATOM 0 HA ALA A 32 3.242 2.722 8.496 1.00 53.11 H new ATOM 0 HB1 ALA A 32 2.131 3.927 10.353 1.00 33.30 H new ATOM 0 HB2 ALA A 32 3.128 5.016 9.359 1.00 33.30 H new ATOM 0 HB3 ALA A 32 1.358 5.013 9.173 1.00 33.30 H new ATOM 469 N LYS A 33 0.031 2.788 7.748 1.00 55.42 N ATOM 470 CA LYS A 33 -1.168 1.963 7.701 1.00 70.30 C ATOM 471 C LYS A 33 -0.926 0.690 6.900 1.00 72.12 C ATOM 472 O LYS A 33 -1.300 -0.403 7.325 1.00 22.11 O ATOM 473 CB LYS A 33 -2.335 2.736 7.087 1.00 52.33 C ATOM 474 CG LYS A 33 -2.999 3.726 8.029 1.00 61.53 C ATOM 475 CD LYS A 33 -4.331 4.196 7.459 1.00 54.32 C ATOM 476 CE LYS A 33 -5.060 5.137 8.402 1.00 54.05 C ATOM 477 NZ LYS A 33 -4.331 6.420 8.588 1.00 41.42 N ATOM 0 H LYS A 33 -0.058 3.688 7.276 1.00 55.42 H new ATOM 0 HA LYS A 33 -1.419 1.692 8.727 1.00 70.30 H new ATOM 0 HB2 LYS A 33 -1.977 3.273 6.209 1.00 52.33 H new ATOM 0 HB3 LYS A 33 -3.084 2.024 6.741 1.00 52.33 H new ATOM 0 HG2 LYS A 33 -3.157 3.261 9.002 1.00 61.53 H new ATOM 0 HG3 LYS A 33 -2.343 4.582 8.188 1.00 61.53 H new ATOM 0 HD2 LYS A 33 -4.159 4.699 6.507 1.00 54.32 H new ATOM 0 HD3 LYS A 33 -4.961 3.331 7.253 1.00 54.32 H new ATOM 0 HE2 LYS A 33 -6.057 5.341 8.011 1.00 54.05 H new ATOM 0 HE3 LYS A 33 -5.190 4.651 9.369 1.00 54.05 H new ATOM 0 HZ1 LYS A 33 -4.904 7.064 9.170 1.00 41.42 H new ATOM 0 HZ2 LYS A 33 -3.424 6.238 9.063 1.00 41.42 H new ATOM 0 HZ3 LYS A 33 -4.155 6.857 7.661 1.00 41.42 H new ATOM 491 N TYR A 34 -0.300 0.845 5.741 1.00 62.01 N ATOM 492 CA TYR A 34 -0.011 -0.284 4.865 1.00 42.02 C ATOM 493 C TYR A 34 0.957 -1.260 5.519 1.00 4.11 C ATOM 494 O TYR A 34 0.758 -2.472 5.458 1.00 64.44 O ATOM 495 CB TYR A 34 0.548 0.196 3.525 1.00 54.12 C ATOM 496 CG TYR A 34 -0.521 0.532 2.511 1.00 65.40 C ATOM 497 CD1 TYR A 34 -1.171 1.761 2.528 1.00 55.11 C ATOM 498 CD2 TYR A 34 -0.886 -0.388 1.537 1.00 44.31 C ATOM 499 CE1 TYR A 34 -2.152 2.062 1.604 1.00 52.14 C ATOM 500 CE2 TYR A 34 -1.864 -0.094 0.609 1.00 74.24 C ATOM 501 CZ TYR A 34 -2.495 1.129 0.648 1.00 10.51 C ATOM 502 OH TYR A 34 -3.472 1.421 -0.274 1.00 24.15 O ATOM 0 H TYR A 34 0.019 1.746 5.384 1.00 62.01 H new ATOM 0 HA TYR A 34 -0.950 -0.807 4.685 1.00 42.02 H new ATOM 0 HB2 TYR A 34 1.167 1.077 3.693 1.00 54.12 H new ATOM 0 HB3 TYR A 34 1.198 -0.577 3.114 1.00 54.12 H new ATOM 0 HD1 TYR A 34 -0.904 2.492 3.276 1.00 55.11 H new ATOM 0 HD2 TYR A 34 -0.396 -1.350 1.505 1.00 44.31 H new ATOM 0 HE1 TYR A 34 -2.647 3.021 1.630 1.00 52.14 H new ATOM 0 HE2 TYR A 34 -2.133 -0.820 -0.144 1.00 74.24 H new ATOM 0 HH TYR A 34 -3.592 0.658 -0.877 1.00 24.15 H new ATOM 512 N ILE A 35 1.999 -0.733 6.151 1.00 75.43 N ATOM 513 CA ILE A 35 2.964 -1.567 6.853 1.00 53.20 C ATOM 514 C ILE A 35 2.285 -2.313 8.001 1.00 13.51 C ATOM 515 O ILE A 35 2.530 -3.502 8.213 1.00 52.14 O ATOM 516 CB ILE A 35 4.147 -0.733 7.395 1.00 55.44 C ATOM 517 CG1 ILE A 35 4.892 -0.064 6.235 1.00 31.11 C ATOM 518 CG2 ILE A 35 5.094 -1.607 8.202 1.00 24.13 C ATOM 519 CD1 ILE A 35 6.036 0.825 6.672 1.00 22.45 C ATOM 0 H ILE A 35 2.196 0.267 6.191 1.00 75.43 H new ATOM 0 HA ILE A 35 3.359 -2.288 6.137 1.00 53.20 H new ATOM 0 HB ILE A 35 3.754 0.041 8.054 1.00 55.44 H new ATOM 0 HG12 ILE A 35 5.279 -0.837 5.571 1.00 31.11 H new ATOM 0 HG13 ILE A 35 4.184 0.529 5.656 1.00 31.11 H new ATOM 0 HG21 ILE A 35 5.920 -1.001 8.575 1.00 24.13 H new ATOM 0 HG22 ILE A 35 4.557 -2.045 9.043 1.00 24.13 H new ATOM 0 HG23 ILE A 35 5.485 -2.402 7.567 1.00 24.13 H new ATOM 0 HD11 ILE A 35 6.513 1.262 5.795 1.00 22.45 H new ATOM 0 HD12 ILE A 35 5.654 1.621 7.312 1.00 22.45 H new ATOM 0 HD13 ILE A 35 6.766 0.234 7.225 1.00 22.45 H new ATOM 531 N GLU A 36 1.412 -1.613 8.716 1.00 0.23 N ATOM 532 CA GLU A 36 0.657 -2.209 9.805 1.00 31.14 C ATOM 533 C GLU A 36 -0.245 -3.320 9.280 1.00 75.21 C ATOM 534 O GLU A 36 -0.305 -4.413 9.845 1.00 73.54 O ATOM 535 CB GLU A 36 -0.178 -1.132 10.492 1.00 11.22 C ATOM 536 CG GLU A 36 -0.002 -1.079 11.995 1.00 25.50 C ATOM 537 CD GLU A 36 -0.466 -2.343 12.683 1.00 14.21 C ATOM 538 OE1 GLU A 36 -1.693 -2.573 12.755 1.00 63.22 O ATOM 539 OE2 GLU A 36 0.391 -3.117 13.153 1.00 62.42 O ATOM 0 H GLU A 36 1.211 -0.626 8.557 1.00 0.23 H new ATOM 0 HA GLU A 36 1.350 -2.642 10.526 1.00 31.14 H new ATOM 0 HB2 GLU A 36 0.084 -0.161 10.072 1.00 11.22 H new ATOM 0 HB3 GLU A 36 -1.230 -1.304 10.266 1.00 11.22 H new ATOM 0 HG2 GLU A 36 1.049 -0.909 12.228 1.00 25.50 H new ATOM 0 HG3 GLU A 36 -0.558 -0.229 12.392 1.00 25.50 H new ATOM 546 N LEU A 37 -0.940 -3.030 8.190 1.00 12.13 N ATOM 547 CA LEU A 37 -1.808 -3.984 7.540 1.00 23.04 C ATOM 548 C LEU A 37 -1.023 -5.222 7.108 1.00 70.01 C ATOM 549 O LEU A 37 -1.504 -6.350 7.222 1.00 62.23 O ATOM 550 CB LEU A 37 -2.436 -3.287 6.337 1.00 31.13 C ATOM 551 CG LEU A 37 -3.841 -3.722 5.956 1.00 53.13 C ATOM 552 CD1 LEU A 37 -3.821 -5.048 5.216 1.00 62.05 C ATOM 553 CD2 LEU A 37 -4.739 -3.805 7.184 1.00 72.44 C ATOM 0 H LEU A 37 -0.913 -2.118 7.733 1.00 12.13 H new ATOM 0 HA LEU A 37 -2.584 -4.323 8.226 1.00 23.04 H new ATOM 0 HB2 LEU A 37 -2.453 -2.215 6.535 1.00 31.13 H new ATOM 0 HB3 LEU A 37 -1.786 -3.442 5.476 1.00 31.13 H new ATOM 0 HG LEU A 37 -4.251 -2.967 5.285 1.00 53.13 H new ATOM 0 HD11 LEU A 37 -4.840 -5.335 4.956 1.00 62.05 H new ATOM 0 HD12 LEU A 37 -3.229 -4.948 4.307 1.00 62.05 H new ATOM 0 HD13 LEU A 37 -3.380 -5.814 5.854 1.00 62.05 H new ATOM 0 HD21 LEU A 37 -5.739 -4.118 6.883 1.00 72.44 H new ATOM 0 HD22 LEU A 37 -4.328 -4.529 7.887 1.00 72.44 H new ATOM 0 HD23 LEU A 37 -4.794 -2.827 7.661 1.00 72.44 H new ATOM 565 N ALA A 38 0.201 -5.002 6.651 1.00 30.12 N ATOM 566 CA ALA A 38 1.041 -6.082 6.154 1.00 14.51 C ATOM 567 C ALA A 38 1.496 -6.976 7.297 1.00 24.42 C ATOM 568 O ALA A 38 1.418 -8.201 7.210 1.00 23.15 O ATOM 569 CB ALA A 38 2.241 -5.526 5.403 1.00 43.25 C ATOM 0 H ALA A 38 0.636 -4.080 6.614 1.00 30.12 H new ATOM 0 HA ALA A 38 0.451 -6.682 5.462 1.00 14.51 H new ATOM 0 HB1 ALA A 38 2.856 -6.349 5.040 1.00 43.25 H new ATOM 0 HB2 ALA A 38 1.897 -4.930 4.558 1.00 43.25 H new ATOM 0 HB3 ALA A 38 2.831 -4.900 6.072 1.00 43.25 H new ATOM 575 N LYS A 39 1.950 -6.354 8.378 1.00 1.02 N ATOM 576 CA LYS A 39 2.421 -7.085 9.546 1.00 32.12 C ATOM 577 C LYS A 39 1.273 -7.816 10.237 1.00 24.30 C ATOM 578 O LYS A 39 1.480 -8.834 10.902 1.00 50.43 O ATOM 579 CB LYS A 39 3.108 -6.130 10.519 1.00 74.23 C ATOM 580 CG LYS A 39 4.401 -5.537 9.978 1.00 23.33 C ATOM 581 CD LYS A 39 5.008 -4.549 10.959 1.00 3.21 C ATOM 582 CE LYS A 39 6.370 -4.063 10.489 1.00 22.32 C ATOM 583 NZ LYS A 39 6.980 -3.103 11.444 1.00 72.44 N ATOM 0 H LYS A 39 2.002 -5.339 8.469 1.00 1.02 H new ATOM 0 HA LYS A 39 3.142 -7.832 9.214 1.00 32.12 H new ATOM 0 HB2 LYS A 39 2.422 -5.320 10.766 1.00 74.23 H new ATOM 0 HB3 LYS A 39 3.321 -6.661 11.447 1.00 74.23 H new ATOM 0 HG2 LYS A 39 5.114 -6.337 9.776 1.00 23.33 H new ATOM 0 HG3 LYS A 39 4.205 -5.037 9.029 1.00 23.33 H new ATOM 0 HD2 LYS A 39 4.339 -3.697 11.081 1.00 3.21 H new ATOM 0 HD3 LYS A 39 5.106 -5.020 11.937 1.00 3.21 H new ATOM 0 HE2 LYS A 39 7.035 -4.917 10.360 1.00 22.32 H new ATOM 0 HE3 LYS A 39 6.268 -3.588 9.513 1.00 22.32 H new ATOM 0 HZ1 LYS A 39 7.907 -2.797 11.085 1.00 72.44 H new ATOM 0 HZ2 LYS A 39 6.359 -2.275 11.548 1.00 72.44 H new ATOM 0 HZ3 LYS A 39 7.102 -3.563 12.369 1.00 72.44 H new ATOM 597 N SER A 40 0.062 -7.299 10.066 1.00 42.25 N ATOM 598 CA SER A 40 -1.129 -7.923 10.625 1.00 64.34 C ATOM 599 C SER A 40 -1.448 -9.223 9.889 1.00 45.54 C ATOM 600 O SER A 40 -2.087 -10.118 10.441 1.00 72.23 O ATOM 601 CB SER A 40 -2.318 -6.956 10.542 1.00 2.41 C ATOM 602 OG SER A 40 -3.487 -7.505 11.137 1.00 1.33 O ATOM 0 H SER A 40 -0.120 -6.444 9.541 1.00 42.25 H new ATOM 0 HA SER A 40 -0.940 -8.159 11.672 1.00 64.34 H new ATOM 0 HB2 SER A 40 -2.062 -6.021 11.040 1.00 2.41 H new ATOM 0 HB3 SER A 40 -2.520 -6.716 9.498 1.00 2.41 H new ATOM 0 HG SER A 40 -4.223 -6.861 11.067 1.00 1.33 H new ATOM 608 N VAL A 41 -0.998 -9.319 8.643 1.00 20.03 N ATOM 609 CA VAL A 41 -1.214 -10.518 7.845 1.00 64.45 C ATOM 610 C VAL A 41 -0.015 -11.455 7.957 1.00 73.23 C ATOM 611 O VAL A 41 -0.168 -12.676 8.039 1.00 22.33 O ATOM 612 CB VAL A 41 -1.452 -10.177 6.355 1.00 22.41 C ATOM 613 CG1 VAL A 41 -1.714 -11.436 5.537 1.00 30.03 C ATOM 614 CG2 VAL A 41 -2.603 -9.198 6.201 1.00 72.42 C ATOM 0 H VAL A 41 -0.482 -8.581 8.165 1.00 20.03 H new ATOM 0 HA VAL A 41 -2.105 -11.009 8.236 1.00 64.45 H new ATOM 0 HB VAL A 41 -0.545 -9.707 5.975 1.00 22.41 H new ATOM 0 HG11 VAL A 41 -1.878 -11.165 4.494 1.00 30.03 H new ATOM 0 HG12 VAL A 41 -0.854 -12.102 5.608 1.00 30.03 H new ATOM 0 HG13 VAL A 41 -2.598 -11.943 5.923 1.00 30.03 H new ATOM 0 HG21 VAL A 41 -2.751 -8.974 5.145 1.00 72.42 H new ATOM 0 HG22 VAL A 41 -3.513 -9.639 6.609 1.00 72.42 H new ATOM 0 HG23 VAL A 41 -2.373 -8.278 6.738 1.00 72.42 H new ATOM 624 N CYS A 42 1.175 -10.879 7.967 1.00 72.45 N ATOM 625 CA CYS A 42 2.397 -11.652 8.001 1.00 10.50 C ATOM 626 C CYS A 42 3.475 -10.934 8.803 1.00 54.12 C ATOM 627 O CYS A 42 3.751 -9.756 8.577 1.00 51.11 O ATOM 628 CB CYS A 42 2.877 -11.890 6.575 1.00 1.34 C ATOM 629 SG CYS A 42 2.802 -10.418 5.531 1.00 0.44 S ATOM 0 H CYS A 42 1.317 -9.869 7.952 1.00 72.45 H new ATOM 0 HA CYS A 42 2.197 -12.607 8.488 1.00 10.50 H new ATOM 0 HB2 CYS A 42 3.904 -12.254 6.602 1.00 1.34 H new ATOM 0 HB3 CYS A 42 2.272 -12.676 6.124 1.00 1.34 H new ATOM 0 HG CYS A 42 2.228 -9.452 6.184 1.00 0.44 H new ATOM 635 N ALA A 43 4.076 -11.645 9.744 1.00 22.54 N ATOM 636 CA ALA A 43 5.175 -11.100 10.526 1.00 3.32 C ATOM 637 C ALA A 43 6.506 -11.349 9.826 1.00 3.44 C ATOM 638 O ALA A 43 7.521 -10.735 10.156 1.00 42.24 O ATOM 639 CB ALA A 43 5.190 -11.703 11.921 1.00 42.12 C ATOM 0 H ALA A 43 3.821 -12.603 9.985 1.00 22.54 H new ATOM 0 HA ALA A 43 5.028 -10.024 10.617 1.00 3.32 H new ATOM 0 HB1 ALA A 43 6.019 -11.283 12.490 1.00 42.12 H new ATOM 0 HB2 ALA A 43 4.251 -11.476 12.426 1.00 42.12 H new ATOM 0 HB3 ALA A 43 5.311 -12.784 11.849 1.00 42.12 H new ATOM 645 N GLY A 44 6.491 -12.247 8.850 1.00 62.41 N ATOM 646 CA GLY A 44 7.699 -12.569 8.114 1.00 43.32 C ATOM 647 C GLY A 44 7.707 -11.942 6.735 1.00 35.23 C ATOM 648 O GLY A 44 8.217 -12.527 5.778 1.00 30.03 O ATOM 0 H GLY A 44 5.661 -12.760 8.554 1.00 62.41 H new ATOM 0 HA2 GLY A 44 8.568 -12.224 8.674 1.00 43.32 H new ATOM 0 HA3 GLY A 44 7.789 -13.651 8.021 1.00 43.32 H new ATOM 652 N VAL A 45 7.135 -10.751 6.633 1.00 31.14 N ATOM 653 CA VAL A 45 7.056 -10.049 5.362 1.00 55.01 C ATOM 654 C VAL A 45 8.334 -9.255 5.092 1.00 22.44 C ATOM 655 O VAL A 45 8.872 -8.592 5.983 1.00 61.02 O ATOM 656 CB VAL A 45 5.827 -9.104 5.316 1.00 22.41 C ATOM 657 CG1 VAL A 45 5.874 -8.082 6.444 1.00 24.23 C ATOM 658 CG2 VAL A 45 5.724 -8.410 3.963 1.00 44.41 C ATOM 0 H VAL A 45 6.718 -10.250 7.418 1.00 31.14 H new ATOM 0 HA VAL A 45 6.942 -10.803 4.583 1.00 55.01 H new ATOM 0 HB VAL A 45 4.935 -9.715 5.455 1.00 22.41 H new ATOM 0 HG11 VAL A 45 4.999 -7.434 6.385 1.00 24.23 H new ATOM 0 HG12 VAL A 45 5.878 -8.599 7.404 1.00 24.23 H new ATOM 0 HG13 VAL A 45 6.778 -7.480 6.352 1.00 24.23 H new ATOM 0 HG21 VAL A 45 4.854 -7.753 3.956 1.00 44.41 H new ATOM 0 HG22 VAL A 45 6.624 -7.822 3.786 1.00 44.41 H new ATOM 0 HG23 VAL A 45 5.620 -9.158 3.177 1.00 44.41 H new ATOM 668 N GLU A 46 8.826 -9.354 3.869 1.00 32.52 N ATOM 669 CA GLU A 46 9.969 -8.568 3.432 1.00 50.34 C ATOM 670 C GLU A 46 9.480 -7.447 2.532 1.00 24.23 C ATOM 671 O GLU A 46 8.798 -7.698 1.550 1.00 41.42 O ATOM 672 CB GLU A 46 10.956 -9.447 2.668 1.00 15.15 C ATOM 673 CG GLU A 46 11.496 -10.609 3.478 1.00 52.04 C ATOM 674 CD GLU A 46 12.241 -11.606 2.621 1.00 32.24 C ATOM 675 OE1 GLU A 46 13.375 -11.308 2.198 1.00 55.41 O ATOM 676 OE2 GLU A 46 11.690 -12.691 2.354 1.00 74.25 O ATOM 0 H GLU A 46 8.448 -9.977 3.155 1.00 32.52 H new ATOM 0 HA GLU A 46 10.476 -8.153 4.303 1.00 50.34 H new ATOM 0 HB2 GLU A 46 10.466 -9.835 1.775 1.00 15.15 H new ATOM 0 HB3 GLU A 46 11.791 -8.832 2.332 1.00 15.15 H new ATOM 0 HG2 GLU A 46 12.162 -10.230 4.254 1.00 52.04 H new ATOM 0 HG3 GLU A 46 10.671 -11.112 3.983 1.00 52.04 H new ATOM 683 N TYR A 47 9.811 -6.216 2.860 1.00 42.21 N ATOM 684 CA TYR A 47 9.298 -5.089 2.100 1.00 63.00 C ATOM 685 C TYR A 47 10.374 -4.053 1.831 1.00 60.34 C ATOM 686 O TYR A 47 11.297 -3.865 2.629 1.00 62.20 O ATOM 687 CB TYR A 47 8.101 -4.450 2.816 1.00 33.02 C ATOM 688 CG TYR A 47 8.322 -4.174 4.288 1.00 32.20 C ATOM 689 CD1 TYR A 47 8.018 -5.134 5.245 1.00 25.53 C ATOM 690 CD2 TYR A 47 8.822 -2.954 4.722 1.00 42.30 C ATOM 691 CE1 TYR A 47 8.212 -4.889 6.592 1.00 34.54 C ATOM 692 CE2 TYR A 47 9.018 -2.700 6.067 1.00 22.11 C ATOM 693 CZ TYR A 47 8.711 -3.671 6.999 1.00 2.21 C ATOM 694 OH TYR A 47 8.905 -3.422 8.341 1.00 52.11 O ATOM 0 H TYR A 47 10.424 -5.969 3.637 1.00 42.21 H new ATOM 0 HA TYR A 47 8.964 -5.473 1.136 1.00 63.00 H new ATOM 0 HB2 TYR A 47 7.854 -3.513 2.317 1.00 33.02 H new ATOM 0 HB3 TYR A 47 7.237 -5.106 2.708 1.00 33.02 H new ATOM 0 HD1 TYR A 47 7.623 -6.089 4.931 1.00 25.53 H new ATOM 0 HD2 TYR A 47 9.062 -2.190 3.997 1.00 42.30 H new ATOM 0 HE1 TYR A 47 7.973 -5.649 7.322 1.00 34.54 H new ATOM 0 HE2 TYR A 47 9.410 -1.746 6.387 1.00 22.11 H new ATOM 0 HH TYR A 47 9.263 -2.517 8.457 1.00 52.11 H new ATOM 704 N ASN A 48 10.262 -3.409 0.684 1.00 41.13 N ATOM 705 CA ASN A 48 11.136 -2.300 0.338 1.00 23.01 C ATOM 706 C ASN A 48 10.295 -1.069 0.084 1.00 41.05 C ATOM 707 O ASN A 48 9.123 -1.170 -0.279 1.00 41.21 O ATOM 708 CB ASN A 48 11.973 -2.574 -0.913 1.00 54.13 C ATOM 709 CG ASN A 48 12.732 -3.889 -0.882 1.00 33.23 C ATOM 710 OD1 ASN A 48 12.952 -4.503 -1.924 1.00 72.13 O ATOM 711 ND2 ASN A 48 13.152 -4.321 0.299 1.00 21.41 N ATOM 0 H ASN A 48 9.569 -3.636 -0.030 1.00 41.13 H new ATOM 0 HA ASN A 48 11.819 -2.157 1.175 1.00 23.01 H new ATOM 0 HB2 ASN A 48 11.317 -2.567 -1.783 1.00 54.13 H new ATOM 0 HB3 ASN A 48 12.686 -1.760 -1.045 1.00 54.13 H new ATOM 0 HD21 ASN A 48 13.678 -5.192 0.366 1.00 21.41 H new ATOM 0 HD22 ASN A 48 12.949 -3.782 1.141 1.00 21.41 H new ATOM 718 N VAL A 49 10.911 0.080 0.251 1.00 12.43 N ATOM 719 CA VAL A 49 10.229 1.358 0.122 1.00 3.31 C ATOM 720 C VAL A 49 11.207 2.385 -0.434 1.00 41.23 C ATOM 721 O VAL A 49 12.392 2.356 -0.100 1.00 60.31 O ATOM 722 CB VAL A 49 9.687 1.869 1.488 1.00 55.50 C ATOM 723 CG1 VAL A 49 8.922 3.170 1.318 1.00 2.44 C ATOM 724 CG2 VAL A 49 8.802 0.831 2.167 1.00 74.42 C ATOM 0 H VAL A 49 11.902 0.160 0.481 1.00 12.43 H new ATOM 0 HA VAL A 49 9.380 1.220 -0.548 1.00 3.31 H new ATOM 0 HB VAL A 49 10.551 2.049 2.127 1.00 55.50 H new ATOM 0 HG11 VAL A 49 8.554 3.505 2.288 1.00 2.44 H new ATOM 0 HG12 VAL A 49 9.583 3.929 0.899 1.00 2.44 H new ATOM 0 HG13 VAL A 49 8.079 3.011 0.645 1.00 2.44 H new ATOM 0 HG21 VAL A 49 8.443 1.225 3.118 1.00 74.42 H new ATOM 0 HG22 VAL A 49 7.952 0.602 1.525 1.00 74.42 H new ATOM 0 HG23 VAL A 49 9.377 -0.077 2.345 1.00 74.42 H new ATOM 734 N SER A 50 10.730 3.264 -1.302 1.00 62.24 N ATOM 735 CA SER A 50 11.553 4.360 -1.783 1.00 61.22 C ATOM 736 C SER A 50 11.858 5.315 -0.632 1.00 23.04 C ATOM 737 O SER A 50 11.228 5.250 0.425 1.00 52.31 O ATOM 738 CB SER A 50 10.833 5.110 -2.903 1.00 63.10 C ATOM 739 OG SER A 50 10.191 4.208 -3.790 1.00 11.15 O ATOM 0 H SER A 50 9.785 3.240 -1.685 1.00 62.24 H new ATOM 0 HA SER A 50 12.487 3.957 -2.176 1.00 61.22 H new ATOM 0 HB2 SER A 50 10.097 5.790 -2.475 1.00 63.10 H new ATOM 0 HB3 SER A 50 11.548 5.720 -3.454 1.00 63.10 H new ATOM 0 HG SER A 50 9.736 4.712 -4.497 1.00 11.15 H new ATOM 745 N GLU A 51 12.823 6.189 -0.827 1.00 45.34 N ATOM 746 CA GLU A 51 13.138 7.182 0.182 1.00 4.13 C ATOM 747 C GLU A 51 12.277 8.413 -0.030 1.00 45.03 C ATOM 748 O GLU A 51 12.137 8.907 -1.150 1.00 35.10 O ATOM 749 CB GLU A 51 14.628 7.547 0.191 1.00 25.20 C ATOM 750 CG GLU A 51 15.244 7.747 -1.184 1.00 53.04 C ATOM 751 CD GLU A 51 15.603 6.437 -1.856 1.00 63.25 C ATOM 752 OE1 GLU A 51 16.676 5.884 -1.546 1.00 53.14 O ATOM 753 OE2 GLU A 51 14.810 5.954 -2.692 1.00 0.43 O ATOM 0 H GLU A 51 13.400 6.234 -1.667 1.00 45.34 H new ATOM 0 HA GLU A 51 12.918 6.752 1.159 1.00 4.13 H new ATOM 0 HB2 GLU A 51 14.760 8.462 0.769 1.00 25.20 H new ATOM 0 HB3 GLU A 51 15.177 6.760 0.709 1.00 25.20 H new ATOM 0 HG2 GLU A 51 14.545 8.296 -1.815 1.00 53.04 H new ATOM 0 HG3 GLU A 51 16.140 8.361 -1.091 1.00 53.04 H new ATOM 760 N LEU A 52 11.695 8.896 1.048 1.00 61.53 N ATOM 761 CA LEU A 52 10.727 9.967 0.975 1.00 53.42 C ATOM 762 C LEU A 52 11.392 11.313 1.194 1.00 65.22 C ATOM 763 O LEU A 52 12.206 11.479 2.105 1.00 63.11 O ATOM 764 CB LEU A 52 9.616 9.767 2.011 1.00 62.02 C ATOM 765 CG LEU A 52 8.705 8.551 1.799 1.00 53.04 C ATOM 766 CD1 LEU A 52 9.373 7.270 2.281 1.00 63.01 C ATOM 767 CD2 LEU A 52 7.374 8.761 2.506 1.00 22.14 C ATOM 0 H LEU A 52 11.879 8.559 1.993 1.00 61.53 H new ATOM 0 HA LEU A 52 10.288 9.949 -0.023 1.00 53.42 H new ATOM 0 HB2 LEU A 52 10.076 9.683 2.995 1.00 62.02 H new ATOM 0 HB3 LEU A 52 8.995 10.663 2.025 1.00 62.02 H new ATOM 0 HG LEU A 52 8.522 8.447 0.730 1.00 53.04 H new ATOM 0 HD11 LEU A 52 8.703 6.426 2.117 1.00 63.01 H new ATOM 0 HD12 LEU A 52 10.298 7.111 1.727 1.00 63.01 H new ATOM 0 HD13 LEU A 52 9.597 7.354 3.344 1.00 63.01 H new ATOM 0 HD21 LEU A 52 6.737 7.891 2.348 1.00 22.14 H new ATOM 0 HD22 LEU A 52 7.546 8.895 3.574 1.00 22.14 H new ATOM 0 HD23 LEU A 52 6.884 9.648 2.103 1.00 22.14 H new ATOM 779 N THR A 53 11.063 12.261 0.340 1.00 51.43 N ATOM 780 CA THR A 53 11.495 13.631 0.508 1.00 72.23 C ATOM 781 C THR A 53 10.283 14.550 0.514 1.00 42.12 C ATOM 782 O THR A 53 9.159 14.102 0.288 1.00 40.12 O ATOM 783 CB THR A 53 12.470 14.064 -0.609 1.00 12.01 C ATOM 784 OG1 THR A 53 11.982 13.629 -1.884 1.00 54.22 O ATOM 785 CG2 THR A 53 13.860 13.500 -0.369 1.00 24.22 C ATOM 0 H THR A 53 10.489 12.102 -0.488 1.00 51.43 H new ATOM 0 HA THR A 53 12.023 13.702 1.459 1.00 72.23 H new ATOM 0 HB THR A 53 12.535 15.152 -0.599 1.00 12.01 H new ATOM 0 HG1 THR A 53 11.094 13.229 -1.775 1.00 54.22 H new ATOM 0 HG21 THR A 53 14.526 13.820 -1.170 1.00 24.22 H new ATOM 0 HG22 THR A 53 14.240 13.863 0.586 1.00 24.22 H new ATOM 0 HG23 THR A 53 13.813 12.411 -0.350 1.00 24.22 H new ATOM 793 N GLU A 54 10.515 15.821 0.777 1.00 31.41 N ATOM 794 CA GLU A 54 9.462 16.821 0.800 1.00 73.22 C ATOM 795 C GLU A 54 8.671 16.844 -0.507 1.00 44.40 C ATOM 796 O GLU A 54 7.473 17.128 -0.520 1.00 45.41 O ATOM 797 CB GLU A 54 10.092 18.183 1.048 1.00 54.10 C ATOM 798 CG GLU A 54 11.124 18.581 0.001 1.00 32.32 C ATOM 799 CD GLU A 54 11.755 19.921 0.294 1.00 12.30 C ATOM 800 OE1 GLU A 54 11.125 20.953 -0.014 1.00 52.44 O ATOM 801 OE2 GLU A 54 12.877 19.949 0.841 1.00 44.42 O ATOM 0 H GLU A 54 11.443 16.192 0.982 1.00 31.41 H new ATOM 0 HA GLU A 54 8.762 16.571 1.597 1.00 73.22 H new ATOM 0 HB2 GLU A 54 9.306 18.937 1.075 1.00 54.10 H new ATOM 0 HB3 GLU A 54 10.566 18.181 2.030 1.00 54.10 H new ATOM 0 HG2 GLU A 54 11.902 17.819 -0.046 1.00 32.32 H new ATOM 0 HG3 GLU A 54 10.649 18.613 -0.980 1.00 32.32 H new ATOM 808 N GLU A 55 9.354 16.535 -1.596 1.00 1.11 N ATOM 809 CA GLU A 55 8.762 16.618 -2.924 1.00 74.32 C ATOM 810 C GLU A 55 8.052 15.324 -3.327 1.00 23.11 C ATOM 811 O GLU A 55 7.436 15.262 -4.394 1.00 15.44 O ATOM 812 CB GLU A 55 9.842 16.946 -3.953 1.00 52.44 C ATOM 813 CG GLU A 55 10.894 15.859 -4.087 1.00 15.11 C ATOM 814 CD GLU A 55 11.900 16.149 -5.175 1.00 34.43 C ATOM 815 OE1 GLU A 55 11.482 16.432 -6.317 1.00 61.45 O ATOM 816 OE2 GLU A 55 13.112 16.085 -4.899 1.00 60.31 O ATOM 0 H GLU A 55 10.325 16.222 -1.588 1.00 1.11 H new ATOM 0 HA GLU A 55 8.014 17.410 -2.895 1.00 74.32 H new ATOM 0 HB2 GLU A 55 9.372 17.109 -4.923 1.00 52.44 H new ATOM 0 HB3 GLU A 55 10.329 17.880 -3.673 1.00 52.44 H new ATOM 0 HG2 GLU A 55 11.416 15.746 -3.137 1.00 15.11 H new ATOM 0 HG3 GLU A 55 10.403 14.909 -4.296 1.00 15.11 H new ATOM 823 N SER A 56 8.141 14.294 -2.497 1.00 10.31 N ATOM 824 CA SER A 56 7.531 13.019 -2.825 1.00 51.51 C ATOM 825 C SER A 56 6.023 13.076 -2.627 1.00 53.22 C ATOM 826 O SER A 56 5.535 13.279 -1.514 1.00 23.22 O ATOM 827 CB SER A 56 8.123 11.906 -1.967 1.00 54.52 C ATOM 828 OG SER A 56 9.539 11.970 -1.947 1.00 23.32 O ATOM 0 H SER A 56 8.626 14.318 -1.600 1.00 10.31 H new ATOM 0 HA SER A 56 7.739 12.806 -3.874 1.00 51.51 H new ATOM 0 HB2 SER A 56 7.739 11.984 -0.950 1.00 54.52 H new ATOM 0 HB3 SER A 56 7.806 10.938 -2.354 1.00 54.52 H new ATOM 0 HG SER A 56 9.908 11.063 -1.993 1.00 23.32 H new ATOM 834 N LYS A 57 5.290 12.915 -3.713 1.00 31.54 N ATOM 835 CA LYS A 57 3.839 12.873 -3.654 1.00 42.23 C ATOM 836 C LYS A 57 3.356 11.459 -3.938 1.00 45.35 C ATOM 837 O LYS A 57 2.155 11.184 -3.959 1.00 34.33 O ATOM 838 CB LYS A 57 3.234 13.869 -4.642 1.00 12.41 C ATOM 839 CG LYS A 57 3.771 13.736 -6.056 1.00 55.32 C ATOM 840 CD LYS A 57 3.152 14.769 -6.980 1.00 14.35 C ATOM 841 CE LYS A 57 3.712 14.669 -8.391 1.00 15.23 C ATOM 842 NZ LYS A 57 3.445 13.342 -9.004 1.00 55.21 N ATOM 0 H LYS A 57 5.677 12.811 -4.651 1.00 31.54 H new ATOM 0 HA LYS A 57 3.513 13.158 -2.654 1.00 42.23 H new ATOM 0 HB2 LYS A 57 2.152 13.736 -4.661 1.00 12.41 H new ATOM 0 HB3 LYS A 57 3.425 14.881 -4.285 1.00 12.41 H new ATOM 0 HG2 LYS A 57 4.855 13.854 -6.049 1.00 55.32 H new ATOM 0 HG3 LYS A 57 3.562 12.735 -6.434 1.00 55.32 H new ATOM 0 HD2 LYS A 57 2.071 14.632 -7.007 1.00 14.35 H new ATOM 0 HD3 LYS A 57 3.337 15.768 -6.585 1.00 14.35 H new ATOM 0 HE2 LYS A 57 3.272 15.450 -9.012 1.00 15.23 H new ATOM 0 HE3 LYS A 57 4.787 14.848 -8.368 1.00 15.23 H new ATOM 0 HZ1 LYS A 57 3.592 13.399 -10.032 1.00 55.21 H new ATOM 0 HZ2 LYS A 57 4.093 12.636 -8.600 1.00 55.21 H new ATOM 0 HZ3 LYS A 57 2.463 13.061 -8.810 1.00 55.21 H new ATOM 856 N GLU A 58 4.315 10.565 -4.136 1.00 44.25 N ATOM 857 CA GLU A 58 4.025 9.171 -4.417 1.00 50.13 C ATOM 858 C GLU A 58 5.214 8.301 -4.033 1.00 73.03 C ATOM 859 O GLU A 58 6.351 8.774 -3.992 1.00 64.33 O ATOM 860 CB GLU A 58 3.683 8.961 -5.901 1.00 45.40 C ATOM 861 CG GLU A 58 4.856 9.153 -6.861 1.00 54.31 C ATOM 862 CD GLU A 58 5.221 10.608 -7.085 1.00 61.15 C ATOM 863 OE1 GLU A 58 6.063 11.144 -6.333 1.00 24.31 O ATOM 864 OE2 GLU A 58 4.677 11.221 -8.031 1.00 63.51 O ATOM 0 H GLU A 58 5.310 10.787 -4.106 1.00 44.25 H new ATOM 0 HA GLU A 58 3.158 8.882 -3.823 1.00 50.13 H new ATOM 0 HB2 GLU A 58 3.288 7.953 -6.029 1.00 45.40 H new ATOM 0 HB3 GLU A 58 2.888 9.653 -6.178 1.00 45.40 H new ATOM 0 HG2 GLU A 58 5.725 8.624 -6.470 1.00 54.31 H new ATOM 0 HG3 GLU A 58 4.609 8.697 -7.820 1.00 54.31 H new ATOM 871 N LEU A 59 4.946 7.042 -3.726 1.00 44.42 N ATOM 872 CA LEU A 59 6.003 6.078 -3.458 1.00 23.04 C ATOM 873 C LEU A 59 5.469 4.671 -3.649 1.00 13.31 C ATOM 874 O LEU A 59 4.273 4.429 -3.488 1.00 51.55 O ATOM 875 CB LEU A 59 6.574 6.228 -2.037 1.00 63.54 C ATOM 876 CG LEU A 59 5.729 5.637 -0.897 1.00 23.01 C ATOM 877 CD1 LEU A 59 6.528 5.623 0.393 1.00 20.11 C ATOM 878 CD2 LEU A 59 4.442 6.418 -0.700 1.00 71.51 C ATOM 0 H LEU A 59 4.002 6.662 -3.656 1.00 44.42 H new ATOM 0 HA LEU A 59 6.813 6.270 -4.161 1.00 23.04 H new ATOM 0 HB2 LEU A 59 7.558 5.759 -2.012 1.00 63.54 H new ATOM 0 HB3 LEU A 59 6.722 7.289 -1.838 1.00 63.54 H new ATOM 0 HG LEU A 59 5.466 4.615 -1.171 1.00 23.01 H new ATOM 0 HD11 LEU A 59 5.919 5.202 1.193 1.00 20.11 H new ATOM 0 HD12 LEU A 59 7.423 5.015 0.260 1.00 20.11 H new ATOM 0 HD13 LEU A 59 6.816 6.641 0.653 1.00 20.11 H new ATOM 0 HD21 LEU A 59 3.868 5.974 0.113 1.00 71.51 H new ATOM 0 HD22 LEU A 59 4.679 7.453 -0.454 1.00 71.51 H new ATOM 0 HD23 LEU A 59 3.854 6.388 -1.617 1.00 71.51 H new ATOM 890 N THR A 60 6.345 3.750 -3.988 1.00 5.42 N ATOM 891 CA THR A 60 5.943 2.375 -4.194 1.00 52.03 C ATOM 892 C THR A 60 6.575 1.472 -3.143 1.00 1.34 C ATOM 893 O THR A 60 7.798 1.403 -3.016 1.00 70.12 O ATOM 894 CB THR A 60 6.328 1.889 -5.603 1.00 64.02 C ATOM 895 OG1 THR A 60 5.785 2.784 -6.586 1.00 11.32 O ATOM 896 CG2 THR A 60 5.815 0.478 -5.859 1.00 53.04 C ATOM 0 H THR A 60 7.340 3.928 -4.127 1.00 5.42 H new ATOM 0 HA THR A 60 4.858 2.327 -4.099 1.00 52.03 H new ATOM 0 HB THR A 60 7.416 1.875 -5.674 1.00 64.02 H new ATOM 0 HG1 THR A 60 4.838 2.577 -6.730 1.00 11.32 H new ATOM 0 HG21 THR A 60 6.103 0.163 -6.862 1.00 53.04 H new ATOM 0 HG22 THR A 60 6.246 -0.204 -5.127 1.00 53.04 H new ATOM 0 HG23 THR A 60 4.729 0.464 -5.772 1.00 53.04 H new ATOM 904 N ALA A 61 5.732 0.808 -2.372 1.00 50.44 N ATOM 905 CA ALA A 61 6.193 -0.119 -1.360 1.00 0.31 C ATOM 906 C ALA A 61 5.975 -1.545 -1.835 1.00 12.34 C ATOM 907 O ALA A 61 4.838 -1.977 -2.029 1.00 45.34 O ATOM 908 CB ALA A 61 5.471 0.125 -0.044 1.00 2.02 C ATOM 0 H ALA A 61 4.718 0.896 -2.430 1.00 50.44 H new ATOM 0 HA ALA A 61 7.259 0.038 -1.193 1.00 0.31 H new ATOM 0 HB1 ALA A 61 5.830 -0.581 0.705 1.00 2.02 H new ATOM 0 HB2 ALA A 61 5.665 1.143 0.294 1.00 2.02 H new ATOM 0 HB3 ALA A 61 4.399 -0.012 -0.186 1.00 2.02 H new ATOM 914 N ARG A 62 7.061 -2.266 -2.046 1.00 62.03 N ATOM 915 CA ARG A 62 6.971 -3.632 -2.529 1.00 63.20 C ATOM 916 C ARG A 62 6.951 -4.607 -1.365 1.00 41.23 C ATOM 917 O ARG A 62 7.914 -4.701 -0.605 1.00 73.25 O ATOM 918 CB ARG A 62 8.129 -3.945 -3.481 1.00 61.14 C ATOM 919 CG ARG A 62 8.167 -5.396 -3.934 1.00 12.23 C ATOM 920 CD ARG A 62 9.014 -5.578 -5.183 1.00 11.10 C ATOM 921 NE ARG A 62 8.351 -5.053 -6.378 1.00 62.43 N ATOM 922 CZ ARG A 62 8.942 -4.924 -7.565 1.00 31.12 C ATOM 923 NH1 ARG A 62 10.217 -5.263 -7.719 1.00 74.23 N ATOM 924 NH2 ARG A 62 8.248 -4.461 -8.598 1.00 63.12 N ATOM 0 H ARG A 62 8.012 -1.931 -1.891 1.00 62.03 H new ATOM 0 HA ARG A 62 6.038 -3.742 -3.082 1.00 63.20 H new ATOM 0 HB2 ARG A 62 8.053 -3.301 -4.357 1.00 61.14 H new ATOM 0 HB3 ARG A 62 9.070 -3.702 -2.988 1.00 61.14 H new ATOM 0 HG2 ARG A 62 8.566 -6.017 -3.131 1.00 12.23 H new ATOM 0 HG3 ARG A 62 7.152 -5.742 -4.130 1.00 12.23 H new ATOM 0 HD2 ARG A 62 9.971 -5.074 -5.048 1.00 11.10 H new ATOM 0 HD3 ARG A 62 9.229 -6.637 -5.324 1.00 11.10 H new ATOM 0 HE ARG A 62 7.375 -4.768 -6.297 1.00 62.43 H new ATOM 0 HH11 ARG A 62 10.748 -5.624 -6.926 1.00 74.23 H new ATOM 0 HH12 ARG A 62 10.665 -5.162 -8.630 1.00 74.23 H new ATOM 0 HH21 ARG A 62 7.267 -4.206 -8.480 1.00 63.12 H new ATOM 0 HH22 ARG A 62 8.696 -4.360 -9.509 1.00 63.12 H new ATOM 938 N PHE A 63 5.844 -5.319 -1.230 1.00 62.13 N ATOM 939 CA PHE A 63 5.685 -6.292 -0.167 1.00 22.41 C ATOM 940 C PHE A 63 5.915 -7.698 -0.700 1.00 62.15 C ATOM 941 O PHE A 63 5.224 -8.154 -1.611 1.00 71.13 O ATOM 942 CB PHE A 63 4.292 -6.185 0.455 1.00 30.42 C ATOM 943 CG PHE A 63 4.015 -4.854 1.101 1.00 25.34 C ATOM 944 CD1 PHE A 63 4.444 -4.596 2.393 1.00 41.12 C ATOM 945 CD2 PHE A 63 3.321 -3.865 0.419 1.00 41.02 C ATOM 946 CE1 PHE A 63 4.185 -3.376 2.993 1.00 71.55 C ATOM 947 CE2 PHE A 63 3.062 -2.646 1.014 1.00 2.12 C ATOM 948 CZ PHE A 63 3.492 -2.401 2.303 1.00 41.31 C ATOM 0 H PHE A 63 5.038 -5.239 -1.850 1.00 62.13 H new ATOM 0 HA PHE A 63 6.426 -6.083 0.605 1.00 22.41 H new ATOM 0 HB2 PHE A 63 3.545 -6.366 -0.318 1.00 30.42 H new ATOM 0 HB3 PHE A 63 4.176 -6.971 1.201 1.00 30.42 H new ATOM 0 HD1 PHE A 63 4.986 -5.355 2.938 1.00 41.12 H new ATOM 0 HD2 PHE A 63 2.979 -4.051 -0.589 1.00 41.02 H new ATOM 0 HE1 PHE A 63 4.525 -3.187 4.001 1.00 71.55 H new ATOM 0 HE2 PHE A 63 2.523 -1.884 0.471 1.00 2.12 H new ATOM 0 HZ PHE A 63 3.287 -1.449 2.770 1.00 41.31 H new ATOM 958 N LYS A 64 6.906 -8.363 -0.147 1.00 31.22 N ATOM 959 CA LYS A 64 7.226 -9.725 -0.518 1.00 1.21 C ATOM 960 C LYS A 64 6.800 -10.661 0.605 1.00 70.20 C ATOM 961 O LYS A 64 7.313 -10.584 1.725 1.00 53.52 O ATOM 962 CB LYS A 64 8.727 -9.834 -0.815 1.00 52.10 C ATOM 963 CG LYS A 64 9.200 -11.204 -1.277 1.00 42.55 C ATOM 964 CD LYS A 64 9.527 -12.113 -0.107 1.00 72.13 C ATOM 965 CE LYS A 64 10.189 -13.391 -0.574 1.00 42.23 C ATOM 966 NZ LYS A 64 10.553 -14.270 0.565 1.00 75.32 N ATOM 0 H LYS A 64 7.514 -7.974 0.574 1.00 31.22 H new ATOM 0 HA LYS A 64 6.687 -10.013 -1.421 1.00 1.21 H new ATOM 0 HB2 LYS A 64 8.983 -9.102 -1.581 1.00 52.10 H new ATOM 0 HB3 LYS A 64 9.279 -9.561 0.084 1.00 52.10 H new ATOM 0 HG2 LYS A 64 8.428 -11.667 -1.892 1.00 42.55 H new ATOM 0 HG3 LYS A 64 10.083 -11.090 -1.906 1.00 42.55 H new ATOM 0 HD2 LYS A 64 10.186 -11.592 0.588 1.00 72.13 H new ATOM 0 HD3 LYS A 64 8.613 -12.352 0.438 1.00 72.13 H new ATOM 0 HE2 LYS A 64 9.516 -13.925 -1.245 1.00 42.23 H new ATOM 0 HE3 LYS A 64 11.084 -13.149 -1.147 1.00 42.23 H new ATOM 0 HZ1 LYS A 64 11.270 -14.958 0.257 1.00 75.32 H new ATOM 0 HZ2 LYS A 64 10.937 -13.693 1.340 1.00 75.32 H new ATOM 0 HZ3 LYS A 64 9.707 -14.776 0.897 1.00 75.32 H new ATOM 980 N PHE A 65 5.851 -11.524 0.300 1.00 44.43 N ATOM 981 CA PHE A 65 5.273 -12.416 1.288 1.00 11.13 C ATOM 982 C PHE A 65 5.907 -13.797 1.201 1.00 51.34 C ATOM 983 O PHE A 65 6.825 -14.018 0.409 1.00 1.02 O ATOM 984 CB PHE A 65 3.761 -12.517 1.074 1.00 54.32 C ATOM 985 CG PHE A 65 3.059 -11.187 1.093 1.00 61.10 C ATOM 986 CD1 PHE A 65 2.599 -10.652 2.284 1.00 14.44 C ATOM 987 CD2 PHE A 65 2.861 -10.471 -0.078 1.00 12.30 C ATOM 988 CE1 PHE A 65 1.953 -9.431 2.307 1.00 53.13 C ATOM 989 CE2 PHE A 65 2.217 -9.250 -0.060 1.00 40.02 C ATOM 990 CZ PHE A 65 1.763 -8.729 1.135 1.00 4.11 C ATOM 0 H PHE A 65 5.459 -11.627 -0.636 1.00 44.43 H new ATOM 0 HA PHE A 65 5.469 -12.010 2.281 1.00 11.13 H new ATOM 0 HB2 PHE A 65 3.570 -13.006 0.119 1.00 54.32 H new ATOM 0 HB3 PHE A 65 3.335 -13.154 1.849 1.00 54.32 H new ATOM 0 HD1 PHE A 65 2.747 -11.195 3.206 1.00 14.44 H new ATOM 0 HD2 PHE A 65 3.215 -10.874 -1.016 1.00 12.30 H new ATOM 0 HE1 PHE A 65 1.597 -9.026 3.243 1.00 53.13 H new ATOM 0 HE2 PHE A 65 2.069 -8.703 -0.979 1.00 40.02 H new ATOM 0 HZ PHE A 65 1.260 -7.773 1.152 1.00 4.11 H new ATOM 1000 N GLU A 66 5.414 -14.722 2.012 1.00 55.15 N ATOM 1001 CA GLU A 66 5.927 -16.079 2.023 1.00 55.25 C ATOM 1002 C GLU A 66 5.172 -16.928 1.010 1.00 61.10 C ATOM 1003 O GLU A 66 5.760 -17.739 0.293 1.00 24.11 O ATOM 1004 CB GLU A 66 5.778 -16.671 3.423 1.00 42.34 C ATOM 1005 CG GLU A 66 7.083 -17.120 4.048 1.00 52.04 C ATOM 1006 CD GLU A 66 7.665 -18.341 3.369 1.00 40.21 C ATOM 1007 OE1 GLU A 66 6.986 -19.387 3.340 1.00 30.31 O ATOM 1008 OE2 GLU A 66 8.806 -18.267 2.874 1.00 23.31 O ATOM 0 H GLU A 66 4.656 -14.553 2.673 1.00 55.15 H new ATOM 0 HA GLU A 66 6.983 -16.068 1.752 1.00 55.25 H new ATOM 0 HB2 GLU A 66 5.313 -15.929 4.072 1.00 42.34 H new ATOM 0 HB3 GLU A 66 5.099 -17.522 3.375 1.00 42.34 H new ATOM 0 HG2 GLU A 66 7.804 -16.304 4.000 1.00 52.04 H new ATOM 0 HG3 GLU A 66 6.920 -17.339 5.103 1.00 52.04 H new ATOM 1015 N VAL A 67 3.862 -16.729 0.958 1.00 3.10 N ATOM 1016 CA VAL A 67 3.007 -17.469 0.044 1.00 12.04 C ATOM 1017 C VAL A 67 2.099 -16.518 -0.729 1.00 54.32 C ATOM 1018 O VAL A 67 1.928 -15.360 -0.345 1.00 52.20 O ATOM 1019 CB VAL A 67 2.140 -18.509 0.787 1.00 42.22 C ATOM 1020 CG1 VAL A 67 3.005 -19.582 1.425 1.00 75.32 C ATOM 1021 CG2 VAL A 67 1.267 -17.838 1.836 1.00 54.52 C ATOM 0 H VAL A 67 3.367 -16.056 1.543 1.00 3.10 H new ATOM 0 HA VAL A 67 3.661 -17.997 -0.650 1.00 12.04 H new ATOM 0 HB VAL A 67 1.490 -18.985 0.053 1.00 42.22 H new ATOM 0 HG11 VAL A 67 2.370 -20.302 1.942 1.00 75.32 H new ATOM 0 HG12 VAL A 67 3.579 -20.094 0.652 1.00 75.32 H new ATOM 0 HG13 VAL A 67 3.688 -19.122 2.139 1.00 75.32 H new ATOM 0 HG21 VAL A 67 0.666 -18.591 2.345 1.00 54.52 H new ATOM 0 HG22 VAL A 67 1.899 -17.326 2.562 1.00 54.52 H new ATOM 0 HG23 VAL A 67 0.610 -17.115 1.354 1.00 54.52 H new ATOM 1031 N SER A 68 1.509 -17.010 -1.813 1.00 22.11 N ATOM 1032 CA SER A 68 0.626 -16.201 -2.639 1.00 4.10 C ATOM 1033 C SER A 68 -0.659 -15.852 -1.895 1.00 42.40 C ATOM 1034 O SER A 68 -1.317 -14.859 -2.203 1.00 72.21 O ATOM 1035 CB SER A 68 0.302 -16.934 -3.942 1.00 34.21 C ATOM 1036 OG SER A 68 1.473 -17.147 -4.714 1.00 43.40 O ATOM 0 H SER A 68 1.628 -17.969 -2.139 1.00 22.11 H new ATOM 0 HA SER A 68 1.142 -15.270 -2.874 1.00 4.10 H new ATOM 0 HB2 SER A 68 -0.168 -17.891 -3.717 1.00 34.21 H new ATOM 0 HB3 SER A 68 -0.418 -16.354 -4.520 1.00 34.21 H new ATOM 0 HG SER A 68 1.239 -17.619 -5.540 1.00 43.40 H new ATOM 1042 N ALA A 69 -0.999 -16.667 -0.913 1.00 21.23 N ATOM 1043 CA ALA A 69 -2.185 -16.439 -0.098 1.00 11.34 C ATOM 1044 C ALA A 69 -2.089 -15.108 0.636 1.00 52.30 C ATOM 1045 O ALA A 69 -3.021 -14.310 0.602 1.00 54.04 O ATOM 1046 CB ALA A 69 -2.378 -17.578 0.887 1.00 43.12 C ATOM 0 H ALA A 69 -0.468 -17.499 -0.657 1.00 21.23 H new ATOM 0 HA ALA A 69 -3.051 -16.401 -0.758 1.00 11.34 H new ATOM 0 HB1 ALA A 69 -3.268 -17.392 1.488 1.00 43.12 H new ATOM 0 HB2 ALA A 69 -2.497 -18.514 0.342 1.00 43.12 H new ATOM 0 HB3 ALA A 69 -1.507 -17.646 1.539 1.00 43.12 H new ATOM 1052 N GLU A 70 -0.948 -14.871 1.279 1.00 43.41 N ATOM 1053 CA GLU A 70 -0.708 -13.621 1.992 1.00 51.04 C ATOM 1054 C GLU A 70 -0.781 -12.445 1.031 1.00 5.05 C ATOM 1055 O GLU A 70 -1.339 -11.395 1.352 1.00 51.44 O ATOM 1056 CB GLU A 70 0.664 -13.662 2.659 1.00 61.12 C ATOM 1057 CG GLU A 70 0.813 -14.774 3.678 1.00 52.40 C ATOM 1058 CD GLU A 70 2.231 -14.897 4.190 1.00 15.10 C ATOM 1059 OE1 GLU A 70 3.130 -15.157 3.374 1.00 14.42 O ATOM 1060 OE2 GLU A 70 2.448 -14.760 5.412 1.00 14.25 O ATOM 0 H GLU A 70 -0.172 -15.532 1.320 1.00 43.41 H new ATOM 0 HA GLU A 70 -1.475 -13.498 2.756 1.00 51.04 H new ATOM 0 HB2 GLU A 70 1.428 -13.780 1.891 1.00 61.12 H new ATOM 0 HB3 GLU A 70 0.849 -12.706 3.148 1.00 61.12 H new ATOM 0 HG2 GLU A 70 0.141 -14.588 4.516 1.00 52.40 H new ATOM 0 HG3 GLU A 70 0.508 -15.719 3.228 1.00 52.40 H new ATOM 1067 N LYS A 71 -0.217 -12.651 -0.154 1.00 35.30 N ATOM 1068 CA LYS A 71 -0.250 -11.665 -1.225 1.00 11.44 C ATOM 1069 C LYS A 71 -1.695 -11.297 -1.541 1.00 10.12 C ATOM 1070 O LYS A 71 -2.074 -10.127 -1.543 1.00 42.01 O ATOM 1071 CB LYS A 71 0.427 -12.260 -2.466 1.00 33.33 C ATOM 1072 CG LYS A 71 0.958 -11.240 -3.469 1.00 41.43 C ATOM 1073 CD LYS A 71 -0.138 -10.694 -4.376 1.00 12.23 C ATOM 1074 CE LYS A 71 -0.762 -11.790 -5.226 1.00 54.12 C ATOM 1075 NZ LYS A 71 0.228 -12.456 -6.118 1.00 60.03 N ATOM 0 H LYS A 71 0.277 -13.509 -0.398 1.00 35.30 H new ATOM 0 HA LYS A 71 0.280 -10.763 -0.917 1.00 11.44 H new ATOM 0 HB2 LYS A 71 1.254 -12.891 -2.141 1.00 33.33 H new ATOM 0 HB3 LYS A 71 -0.287 -12.908 -2.974 1.00 33.33 H new ATOM 0 HG2 LYS A 71 1.426 -10.415 -2.931 1.00 41.43 H new ATOM 0 HG3 LYS A 71 1.733 -11.704 -4.079 1.00 41.43 H new ATOM 0 HD2 LYS A 71 -0.910 -10.220 -3.770 1.00 12.23 H new ATOM 0 HD3 LYS A 71 0.277 -9.922 -5.024 1.00 12.23 H new ATOM 0 HE2 LYS A 71 -1.217 -12.535 -4.574 1.00 54.12 H new ATOM 0 HE3 LYS A 71 -1.562 -11.364 -5.831 1.00 54.12 H new ATOM 0 HZ1 LYS A 71 -0.268 -13.097 -6.770 1.00 60.03 H new ATOM 0 HZ2 LYS A 71 0.742 -11.736 -6.665 1.00 60.03 H new ATOM 0 HZ3 LYS A 71 0.902 -13.000 -5.543 1.00 60.03 H new ATOM 1089 N LEU A 72 -2.489 -12.326 -1.799 1.00 54.13 N ATOM 1090 CA LEU A 72 -3.904 -12.160 -2.119 1.00 72.35 C ATOM 1091 C LEU A 72 -4.668 -11.489 -0.978 1.00 32.31 C ATOM 1092 O LEU A 72 -5.416 -10.541 -1.203 1.00 11.42 O ATOM 1093 CB LEU A 72 -4.538 -13.516 -2.435 1.00 11.11 C ATOM 1094 CG LEU A 72 -3.996 -14.211 -3.683 1.00 71.21 C ATOM 1095 CD1 LEU A 72 -4.601 -15.598 -3.823 1.00 72.21 C ATOM 1096 CD2 LEU A 72 -4.282 -13.375 -4.922 1.00 63.32 C ATOM 0 H LEU A 72 -2.175 -13.296 -1.793 1.00 54.13 H new ATOM 0 HA LEU A 72 -3.967 -11.513 -2.994 1.00 72.35 H new ATOM 0 HB2 LEU A 72 -4.393 -14.175 -1.579 1.00 11.11 H new ATOM 0 HB3 LEU A 72 -5.613 -13.378 -2.553 1.00 11.11 H new ATOM 0 HG LEU A 72 -2.916 -14.316 -3.580 1.00 71.21 H new ATOM 0 HD11 LEU A 72 -4.204 -16.079 -4.717 1.00 72.21 H new ATOM 0 HD12 LEU A 72 -4.348 -16.195 -2.947 1.00 72.21 H new ATOM 0 HD13 LEU A 72 -5.685 -15.516 -3.906 1.00 72.21 H new ATOM 0 HD21 LEU A 72 -3.890 -13.884 -5.803 1.00 63.32 H new ATOM 0 HD22 LEU A 72 -5.358 -13.241 -5.030 1.00 63.32 H new ATOM 0 HD23 LEU A 72 -3.803 -12.401 -4.822 1.00 63.32 H new ATOM 1108 N ILE A 73 -4.476 -11.985 0.240 1.00 63.42 N ATOM 1109 CA ILE A 73 -5.200 -11.472 1.400 1.00 12.00 C ATOM 1110 C ILE A 73 -4.891 -9.996 1.647 1.00 70.12 C ATOM 1111 O ILE A 73 -5.797 -9.207 1.918 1.00 44.30 O ATOM 1112 CB ILE A 73 -4.886 -12.295 2.672 1.00 43.54 C ATOM 1113 CG1 ILE A 73 -5.364 -13.742 2.493 1.00 63.31 C ATOM 1114 CG2 ILE A 73 -5.538 -11.663 3.896 1.00 24.31 C ATOM 1115 CD1 ILE A 73 -5.005 -14.654 3.647 1.00 52.01 C ATOM 0 H ILE A 73 -3.825 -12.742 0.450 1.00 63.42 H new ATOM 0 HA ILE A 73 -6.262 -11.570 1.177 1.00 12.00 H new ATOM 0 HB ILE A 73 -3.807 -12.299 2.827 1.00 43.54 H new ATOM 0 HG12 ILE A 73 -6.446 -13.743 2.365 1.00 63.31 H new ATOM 0 HG13 ILE A 73 -4.934 -14.146 1.576 1.00 63.31 H new ATOM 0 HG21 ILE A 73 -5.305 -12.257 4.780 1.00 24.31 H new ATOM 0 HG22 ILE A 73 -5.158 -10.650 4.029 1.00 24.31 H new ATOM 0 HG23 ILE A 73 -6.618 -11.629 3.756 1.00 24.31 H new ATOM 0 HD11 ILE A 73 -5.377 -15.659 3.446 1.00 52.01 H new ATOM 0 HD12 ILE A 73 -3.922 -14.685 3.763 1.00 52.01 H new ATOM 0 HD13 ILE A 73 -5.458 -14.276 4.564 1.00 52.01 H new ATOM 1127 N PHE A 74 -3.620 -9.626 1.534 1.00 13.14 N ATOM 1128 CA PHE A 74 -3.215 -8.235 1.704 1.00 31.22 C ATOM 1129 C PHE A 74 -3.917 -7.355 0.677 1.00 24.43 C ATOM 1130 O PHE A 74 -4.435 -6.286 1.006 1.00 2.45 O ATOM 1131 CB PHE A 74 -1.695 -8.102 1.568 1.00 64.22 C ATOM 1132 CG PHE A 74 -1.193 -6.692 1.712 1.00 24.50 C ATOM 1133 CD1 PHE A 74 -1.111 -6.097 2.960 1.00 4.01 C ATOM 1134 CD2 PHE A 74 -0.798 -5.964 0.599 1.00 32.04 C ATOM 1135 CE1 PHE A 74 -0.646 -4.803 3.095 1.00 65.50 C ATOM 1136 CE2 PHE A 74 -0.334 -4.670 0.729 1.00 44.24 C ATOM 1137 CZ PHE A 74 -0.257 -4.090 1.979 1.00 13.03 C ATOM 0 H PHE A 74 -2.855 -10.267 1.326 1.00 13.14 H new ATOM 0 HA PHE A 74 -3.503 -7.907 2.703 1.00 31.22 H new ATOM 0 HB2 PHE A 74 -1.216 -8.727 2.322 1.00 64.22 H new ATOM 0 HB3 PHE A 74 -1.392 -8.488 0.595 1.00 64.22 H new ATOM 0 HD1 PHE A 74 -1.414 -6.650 3.837 1.00 4.01 H new ATOM 0 HD2 PHE A 74 -0.854 -6.415 -0.381 1.00 32.04 H new ATOM 0 HE1 PHE A 74 -0.587 -4.350 4.073 1.00 65.50 H new ATOM 0 HE2 PHE A 74 -0.032 -4.113 -0.146 1.00 44.24 H new ATOM 0 HZ PHE A 74 0.107 -3.079 2.084 1.00 13.03 H new ATOM 1147 N GLU A 75 -3.943 -7.825 -0.565 1.00 54.05 N ATOM 1148 CA GLU A 75 -4.618 -7.121 -1.641 1.00 41.44 C ATOM 1149 C GLU A 75 -6.121 -7.024 -1.392 1.00 14.42 C ATOM 1150 O GLU A 75 -6.724 -5.984 -1.636 1.00 51.22 O ATOM 1151 CB GLU A 75 -4.331 -7.806 -2.975 1.00 11.01 C ATOM 1152 CG GLU A 75 -3.026 -7.360 -3.604 1.00 60.43 C ATOM 1153 CD GLU A 75 -3.099 -5.922 -4.074 1.00 53.21 C ATOM 1154 OE1 GLU A 75 -3.763 -5.668 -5.104 1.00 24.34 O ATOM 1155 OE2 GLU A 75 -2.519 -5.037 -3.410 1.00 24.21 O ATOM 0 H GLU A 75 -3.499 -8.698 -0.850 1.00 54.05 H new ATOM 0 HA GLU A 75 -4.230 -6.103 -1.676 1.00 41.44 H new ATOM 0 HB2 GLU A 75 -4.305 -8.885 -2.824 1.00 11.01 H new ATOM 0 HB3 GLU A 75 -5.149 -7.601 -3.665 1.00 11.01 H new ATOM 0 HG2 GLU A 75 -2.217 -7.467 -2.881 1.00 60.43 H new ATOM 0 HG3 GLU A 75 -2.787 -8.008 -4.447 1.00 60.43 H new ATOM 1162 N LEU A 76 -6.719 -8.097 -0.891 1.00 42.13 N ATOM 1163 CA LEU A 76 -8.133 -8.117 -0.589 1.00 32.10 C ATOM 1164 C LEU A 76 -8.476 -7.117 0.516 1.00 71.35 C ATOM 1165 O LEU A 76 -9.493 -6.424 0.446 1.00 12.05 O ATOM 1166 CB LEU A 76 -8.534 -9.525 -0.170 1.00 63.23 C ATOM 1167 CG LEU A 76 -8.528 -10.569 -1.290 1.00 41.20 C ATOM 1168 CD1 LEU A 76 -8.864 -11.947 -0.739 1.00 22.34 C ATOM 1169 CD2 LEU A 76 -9.510 -10.182 -2.385 1.00 73.30 C ATOM 0 H LEU A 76 -6.235 -8.971 -0.685 1.00 42.13 H new ATOM 0 HA LEU A 76 -8.687 -7.826 -1.481 1.00 32.10 H new ATOM 0 HB2 LEU A 76 -7.858 -9.858 0.618 1.00 63.23 H new ATOM 0 HB3 LEU A 76 -9.534 -9.486 0.263 1.00 63.23 H new ATOM 0 HG LEU A 76 -7.527 -10.604 -1.720 1.00 41.20 H new ATOM 0 HD11 LEU A 76 -8.855 -12.675 -1.550 1.00 22.34 H new ATOM 0 HD12 LEU A 76 -8.125 -12.229 0.011 1.00 22.34 H new ATOM 0 HD13 LEU A 76 -9.854 -11.925 -0.282 1.00 22.34 H new ATOM 0 HD21 LEU A 76 -9.492 -10.935 -3.173 1.00 73.30 H new ATOM 0 HD22 LEU A 76 -10.515 -10.118 -1.967 1.00 73.30 H new ATOM 0 HD23 LEU A 76 -9.228 -9.215 -2.802 1.00 73.30 H new ATOM 1181 N LYS A 77 -7.617 -7.040 1.527 1.00 2.51 N ATOM 1182 CA LYS A 77 -7.821 -6.112 2.633 1.00 60.13 C ATOM 1183 C LYS A 77 -7.698 -4.663 2.169 1.00 61.35 C ATOM 1184 O LYS A 77 -8.502 -3.807 2.546 1.00 30.24 O ATOM 1185 CB LYS A 77 -6.814 -6.368 3.754 1.00 33.15 C ATOM 1186 CG LYS A 77 -7.013 -7.683 4.484 1.00 2.13 C ATOM 1187 CD LYS A 77 -6.052 -7.803 5.653 1.00 64.44 C ATOM 1188 CE LYS A 77 -6.258 -9.088 6.433 1.00 44.32 C ATOM 1189 NZ LYS A 77 -7.601 -9.157 7.061 1.00 11.00 N ATOM 0 H LYS A 77 -6.774 -7.609 1.603 1.00 2.51 H new ATOM 0 HA LYS A 77 -8.830 -6.279 3.011 1.00 60.13 H new ATOM 0 HB2 LYS A 77 -5.808 -6.347 3.335 1.00 33.15 H new ATOM 0 HB3 LYS A 77 -6.876 -5.553 4.475 1.00 33.15 H new ATOM 0 HG2 LYS A 77 -8.040 -7.753 4.843 1.00 2.13 H new ATOM 0 HG3 LYS A 77 -6.859 -8.513 3.795 1.00 2.13 H new ATOM 0 HD2 LYS A 77 -5.027 -7.764 5.284 1.00 64.44 H new ATOM 0 HD3 LYS A 77 -6.184 -6.950 6.319 1.00 64.44 H new ATOM 0 HE2 LYS A 77 -6.127 -9.940 5.766 1.00 44.32 H new ATOM 0 HE3 LYS A 77 -5.494 -9.168 7.206 1.00 44.32 H new ATOM 0 HZ1 LYS A 77 -7.626 -9.943 7.742 1.00 11.00 H new ATOM 0 HZ2 LYS A 77 -7.799 -8.264 7.556 1.00 11.00 H new ATOM 0 HZ3 LYS A 77 -8.320 -9.313 6.326 1.00 11.00 H new ATOM 1203 N THR A 78 -6.695 -4.394 1.339 1.00 71.30 N ATOM 1204 CA THR A 78 -6.413 -3.033 0.907 1.00 5.04 C ATOM 1205 C THR A 78 -7.532 -2.467 0.036 1.00 4.32 C ATOM 1206 O THR A 78 -7.702 -1.253 -0.037 1.00 43.11 O ATOM 1207 CB THR A 78 -5.071 -2.939 0.154 1.00 2.42 C ATOM 1208 OG1 THR A 78 -4.994 -3.946 -0.857 1.00 13.34 O ATOM 1209 CG2 THR A 78 -3.899 -3.083 1.113 1.00 12.15 C ATOM 0 H THR A 78 -6.067 -5.099 0.954 1.00 71.30 H new ATOM 0 HA THR A 78 -6.346 -2.433 1.815 1.00 5.04 H new ATOM 0 HB THR A 78 -5.018 -1.957 -0.316 1.00 2.42 H new ATOM 0 HG1 THR A 78 -5.853 -4.413 -0.920 1.00 13.34 H new ATOM 0 HG21 THR A 78 -2.964 -3.013 0.558 1.00 12.15 H new ATOM 0 HG22 THR A 78 -3.939 -2.288 1.858 1.00 12.15 H new ATOM 0 HG23 THR A 78 -3.954 -4.051 1.612 1.00 12.15 H new ATOM 1217 N ARG A 79 -8.302 -3.343 -0.601 1.00 55.33 N ATOM 1218 CA ARG A 79 -9.429 -2.923 -1.411 1.00 13.12 C ATOM 1219 C ARG A 79 -10.426 -2.126 -0.573 1.00 23.23 C ATOM 1220 O ARG A 79 -10.917 -1.079 -0.997 1.00 2.14 O ATOM 1221 CB ARG A 79 -10.114 -4.146 -2.020 1.00 23.04 C ATOM 1222 CG ARG A 79 -9.179 -5.028 -2.831 1.00 24.41 C ATOM 1223 CD ARG A 79 -8.549 -4.276 -3.994 1.00 73.01 C ATOM 1224 NE ARG A 79 -7.363 -4.961 -4.510 1.00 51.33 N ATOM 1225 CZ ARG A 79 -7.349 -5.714 -5.609 1.00 2.15 C ATOM 1226 NH1 ARG A 79 -8.474 -5.945 -6.275 1.00 24.00 N ATOM 1227 NH2 ARG A 79 -6.211 -6.250 -6.030 1.00 44.04 N ATOM 0 H ARG A 79 -8.161 -4.353 -0.568 1.00 55.33 H new ATOM 0 HA ARG A 79 -9.063 -2.281 -2.212 1.00 13.12 H new ATOM 0 HB2 ARG A 79 -10.557 -4.740 -1.220 1.00 23.04 H new ATOM 0 HB3 ARG A 79 -10.931 -3.813 -2.660 1.00 23.04 H new ATOM 0 HG2 ARG A 79 -8.393 -5.416 -2.182 1.00 24.41 H new ATOM 0 HG3 ARG A 79 -9.731 -5.887 -3.212 1.00 24.41 H new ATOM 0 HD2 ARG A 79 -9.281 -4.166 -4.794 1.00 73.01 H new ATOM 0 HD3 ARG A 79 -8.276 -3.271 -3.671 1.00 73.01 H new ATOM 0 HE ARG A 79 -6.489 -4.855 -3.994 1.00 51.33 H new ATOM 0 HH11 ARG A 79 -9.353 -5.545 -5.946 1.00 24.00 H new ATOM 0 HH12 ARG A 79 -8.459 -6.522 -7.116 1.00 24.00 H new ATOM 0 HH21 ARG A 79 -5.348 -6.086 -5.512 1.00 44.04 H new ATOM 0 HH22 ARG A 79 -6.199 -6.827 -6.871 1.00 44.04 H new ATOM 1241 N SER A 80 -10.710 -2.622 0.623 1.00 74.33 N ATOM 1242 CA SER A 80 -11.638 -1.972 1.522 1.00 10.23 C ATOM 1243 C SER A 80 -10.949 -0.874 2.333 1.00 21.44 C ATOM 1244 O SER A 80 -11.575 0.116 2.709 1.00 32.34 O ATOM 1245 CB SER A 80 -12.243 -3.022 2.447 1.00 33.42 C ATOM 1246 OG SER A 80 -12.877 -4.051 1.701 1.00 12.33 O ATOM 0 H SER A 80 -10.303 -3.482 0.991 1.00 74.33 H new ATOM 0 HA SER A 80 -12.426 -1.496 0.938 1.00 10.23 H new ATOM 0 HB2 SER A 80 -11.463 -3.451 3.076 1.00 33.42 H new ATOM 0 HB3 SER A 80 -12.966 -2.552 3.113 1.00 33.42 H new ATOM 0 HG SER A 80 -13.256 -4.714 2.315 1.00 12.33 H new ATOM 1252 N LEU A 81 -9.656 -1.042 2.578 1.00 25.33 N ATOM 1253 CA LEU A 81 -8.891 -0.093 3.358 1.00 3.11 C ATOM 1254 C LEU A 81 -8.659 1.197 2.571 1.00 15.14 C ATOM 1255 O LEU A 81 -8.767 2.300 3.109 1.00 22.04 O ATOM 1256 CB LEU A 81 -7.561 -0.740 3.747 1.00 35.13 C ATOM 1257 CG LEU A 81 -6.451 0.228 4.115 1.00 12.32 C ATOM 1258 CD1 LEU A 81 -6.758 0.937 5.428 1.00 41.24 C ATOM 1259 CD2 LEU A 81 -5.113 -0.492 4.189 1.00 12.44 C ATOM 0 H LEU A 81 -9.115 -1.838 2.241 1.00 25.33 H new ATOM 0 HA LEU A 81 -9.446 0.172 4.258 1.00 3.11 H new ATOM 0 HB2 LEU A 81 -7.734 -1.407 4.592 1.00 35.13 H new ATOM 0 HB3 LEU A 81 -7.220 -1.359 2.917 1.00 35.13 H new ATOM 0 HG LEU A 81 -6.389 0.984 3.332 1.00 12.32 H new ATOM 0 HD11 LEU A 81 -5.947 1.625 5.668 1.00 41.24 H new ATOM 0 HD12 LEU A 81 -7.690 1.494 5.331 1.00 41.24 H new ATOM 0 HD13 LEU A 81 -6.857 0.200 6.225 1.00 41.24 H new ATOM 0 HD21 LEU A 81 -4.331 0.220 4.454 1.00 12.44 H new ATOM 0 HD22 LEU A 81 -5.163 -1.275 4.946 1.00 12.44 H new ATOM 0 HD23 LEU A 81 -4.885 -0.937 3.220 1.00 12.44 H new