USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -147:sc= -0.289 (180deg=-1.53!) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.0756 (180deg=-0.276) USER MOD Single : A 6 LYS NZ :NH3+ -126:sc= 0.948 (180deg=-1.07) USER MOD Single : A 8 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.45) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -8:sc= -2.07 USER MOD Single : A 12 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.24) USER MOD Single : A 23 THR OG1 : rot 178:sc= -1.13 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -173:sc= -0.954 USER MOD Single : A 31 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.7!) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 0.145 (180deg=0.0269) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 150:sc= -0.678 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 1.17 (180deg=0.665) USER MOD Single : A 51 THR OG1 : rot 128:sc= -2.73 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 61 SER OG : rot -130:sc= -0.282 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.0841 K(o=-0.084,f=-0.64) USER MOD Single : A 88 TYR OH : rot 166:sc= 0.0588 USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.00827) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 83.138 14.092 0.815 1.00 1.31 N ATOM 2 CA MET A 1 83.382 13.904 -0.644 1.00 0.79 C ATOM 3 C MET A 1 82.094 14.126 -1.437 1.00 0.68 C ATOM 4 O MET A 1 81.070 14.491 -0.889 1.00 0.82 O ATOM 5 CB MET A 1 83.851 12.457 -0.787 1.00 1.18 C ATOM 6 CG MET A 1 85.292 12.339 -0.291 1.00 1.69 C ATOM 7 SD MET A 1 85.900 10.662 -0.593 1.00 2.57 S ATOM 8 CE MET A 1 84.674 9.792 0.415 1.00 2.76 C ATOM 0 H1 MET A 1 83.833 14.764 1.199 1.00 1.31 H new ATOM 0 H2 MET A 1 82.178 14.465 0.961 1.00 1.31 H new ATOM 0 H3 MET A 1 83.233 13.179 1.303 1.00 1.31 H new ATOM 0 HA MET A 1 84.115 14.613 -1.028 1.00 0.79 H new ATOM 0 HB2 MET A 1 83.202 11.795 -0.214 1.00 1.18 H new ATOM 0 HB3 MET A 1 83.787 12.143 -1.829 1.00 1.18 H new ATOM 0 HG2 MET A 1 85.924 13.064 -0.803 1.00 1.69 H new ATOM 0 HG3 MET A 1 85.341 12.569 0.773 1.00 1.69 H new ATOM 0 HE1 MET A 1 85.129 8.906 0.858 1.00 2.76 H new ATOM 0 HE2 MET A 1 84.320 10.452 1.207 1.00 2.76 H new ATOM 0 HE3 MET A 1 83.834 9.493 -0.212 1.00 2.76 H new ATOM 20 N ASP A 2 82.140 13.878 -2.721 1.00 0.57 N ATOM 21 CA ASP A 2 80.918 14.036 -3.570 1.00 0.50 C ATOM 22 C ASP A 2 79.984 12.842 -3.372 1.00 0.41 C ATOM 23 O ASP A 2 80.426 11.710 -3.287 1.00 0.38 O ATOM 24 CB ASP A 2 81.432 14.079 -5.012 1.00 0.54 C ATOM 25 CG ASP A 2 82.315 15.316 -5.216 1.00 0.92 C ATOM 26 OD1 ASP A 2 82.087 16.307 -4.540 1.00 1.37 O ATOM 27 OD2 ASP A 2 83.203 15.250 -6.051 1.00 1.70 O ATOM 0 H ASP A 2 82.975 13.571 -3.221 1.00 0.57 H new ATOM 0 HA ASP A 2 80.353 14.932 -3.315 1.00 0.50 H new ATOM 0 HB2 ASP A 2 82.001 13.175 -5.231 1.00 0.54 H new ATOM 0 HB3 ASP A 2 80.592 14.103 -5.706 1.00 0.54 H new ATOM 32 N VAL A 3 78.696 13.083 -3.339 1.00 0.40 N ATOM 33 CA VAL A 3 77.724 11.968 -3.196 1.00 0.33 C ATOM 34 C VAL A 3 76.651 12.075 -4.292 1.00 0.31 C ATOM 35 O VAL A 3 76.149 13.151 -4.571 1.00 0.37 O ATOM 36 CB VAL A 3 77.154 12.128 -1.765 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.051 13.202 -1.689 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.584 10.789 -1.293 1.00 0.30 C ATOM 0 H VAL A 3 78.279 14.012 -3.406 1.00 0.40 H new ATOM 0 HA VAL A 3 78.165 10.979 -3.319 1.00 0.33 H new ATOM 0 HB VAL A 3 77.973 12.448 -1.121 1.00 0.36 H new ATOM 0 HG11 VAL A 3 75.685 13.275 -0.665 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.458 14.164 -1.998 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.229 12.927 -2.350 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.182 10.899 -0.286 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.789 10.474 -1.968 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.374 10.039 -1.288 1.00 0.30 H new ATOM 48 N LEU A 4 76.315 10.979 -4.910 1.00 0.26 N ATOM 49 CA LEU A 4 75.288 11.010 -5.996 1.00 0.28 C ATOM 50 C LEU A 4 73.875 10.968 -5.395 1.00 0.28 C ATOM 51 O LEU A 4 72.922 11.409 -6.011 1.00 0.30 O ATOM 52 CB LEU A 4 75.561 9.764 -6.862 1.00 0.27 C ATOM 53 CG LEU A 4 77.050 9.676 -7.274 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.238 8.525 -8.263 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.517 10.990 -7.928 1.00 0.37 C ATOM 0 H LEU A 4 76.707 10.058 -4.712 1.00 0.26 H new ATOM 0 HA LEU A 4 75.348 11.923 -6.589 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.282 8.867 -6.309 1.00 0.27 H new ATOM 0 HB3 LEU A 4 74.936 9.796 -7.755 1.00 0.27 H new ATOM 0 HG LEU A 4 77.646 9.501 -6.378 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.287 8.463 -8.554 1.00 0.36 H new ATOM 0 HD12 LEU A 4 76.935 7.589 -7.794 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.626 8.702 -9.148 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.567 10.904 -8.209 1.00 0.37 H new ATOM 0 HD22 LEU A 4 76.918 11.187 -8.817 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.397 11.811 -7.221 1.00 0.37 H new ATOM 67 N ALA A 5 73.745 10.503 -4.171 1.00 0.25 N ATOM 68 CA ALA A 5 72.414 10.501 -3.490 1.00 0.25 C ATOM 69 C ALA A 5 72.598 10.108 -2.023 1.00 0.23 C ATOM 70 O ALA A 5 73.570 9.466 -1.671 1.00 0.25 O ATOM 71 CB ALA A 5 71.575 9.453 -4.225 1.00 0.26 C ATOM 0 H ALA A 5 74.511 10.123 -3.615 1.00 0.25 H new ATOM 0 HA ALA A 5 71.933 11.479 -3.514 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.584 9.400 -3.775 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.483 9.732 -5.275 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.060 8.480 -4.149 1.00 0.26 H new ATOM 77 N LYS A 6 71.710 10.539 -1.164 1.00 0.22 N ATOM 78 CA LYS A 6 71.867 10.250 0.294 1.00 0.22 C ATOM 79 C LYS A 6 70.538 9.767 0.883 1.00 0.21 C ATOM 80 O LYS A 6 69.519 10.420 0.738 1.00 0.23 O ATOM 81 CB LYS A 6 72.270 11.592 0.905 1.00 0.24 C ATOM 82 CG LYS A 6 72.643 11.397 2.373 1.00 1.40 C ATOM 83 CD LYS A 6 73.106 12.732 2.959 1.00 1.50 C ATOM 84 CE LYS A 6 74.011 12.473 4.165 1.00 1.79 C ATOM 85 NZ LYS A 6 73.649 13.527 5.152 1.00 2.30 N ATOM 0 H LYS A 6 70.881 11.080 -1.410 1.00 0.22 H new ATOM 0 HA LYS A 6 72.600 9.468 0.492 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.114 12.013 0.358 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.448 12.303 0.820 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.786 11.020 2.931 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.435 10.653 2.463 1.00 1.40 H new ATOM 0 HD2 LYS A 6 73.643 13.306 2.204 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.244 13.328 3.259 1.00 1.50 H new ATOM 0 HE2 LYS A 6 73.847 11.476 4.574 1.00 1.79 H new ATOM 0 HE3 LYS A 6 75.064 12.535 3.889 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.505 14.042 5.440 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 72.975 14.191 4.720 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 73.213 13.086 5.987 1.00 2.30 H new ATOM 99 N PHE A 7 70.538 8.623 1.530 1.00 0.19 N ATOM 100 CA PHE A 7 69.265 8.091 2.113 1.00 0.19 C ATOM 101 C PHE A 7 69.546 7.236 3.358 1.00 0.17 C ATOM 102 O PHE A 7 70.670 6.862 3.619 1.00 0.16 O ATOM 103 CB PHE A 7 68.631 7.265 0.984 1.00 0.20 C ATOM 104 CG PHE A 7 69.519 6.097 0.606 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.729 6.320 -0.132 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.143 4.764 0.981 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.564 5.210 -0.493 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.978 3.654 0.617 1.00 0.20 C ATOM 109 CZ PHE A 7 71.187 3.877 -0.119 1.00 0.20 C ATOM 0 H PHE A 7 71.361 8.038 1.678 1.00 0.19 H new ATOM 0 HA PHE A 7 68.599 8.885 2.450 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.655 6.898 1.301 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.466 7.899 0.113 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.011 7.323 -0.416 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.232 4.596 1.537 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.476 5.378 -1.046 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.695 2.650 0.898 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.815 3.042 -0.392 1.00 0.20 H new ATOM 119 N HIS A 8 68.534 6.984 4.153 1.00 0.18 N ATOM 120 CA HIS A 8 68.733 6.219 5.425 1.00 0.18 C ATOM 121 C HIS A 8 68.027 4.859 5.339 1.00 0.17 C ATOM 122 O HIS A 8 66.900 4.764 4.890 1.00 0.18 O ATOM 123 CB HIS A 8 68.083 7.078 6.511 1.00 0.20 C ATOM 124 CG HIS A 8 68.792 8.404 6.606 1.00 0.77 C ATOM 125 ND1 HIS A 8 69.891 8.597 7.427 1.00 1.41 N ATOM 126 CD2 HIS A 8 68.563 9.611 5.993 1.00 1.61 C ATOM 127 CE1 HIS A 8 70.280 9.878 7.288 1.00 1.81 C ATOM 128 NE2 HIS A 8 69.503 10.540 6.425 1.00 1.99 N ATOM 0 H HIS A 8 67.573 7.277 3.975 1.00 0.18 H new ATOM 0 HA HIS A 8 69.787 6.026 5.627 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.029 7.235 6.281 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.127 6.562 7.470 1.00 0.20 H new ATOM 0 HD2 HIS A 8 67.773 9.809 5.283 1.00 1.61 H new ATOM 0 HE1 HIS A 8 71.117 10.317 7.810 1.00 1.81 H new ATOM 0 HE2 HIS A 8 69.583 11.517 6.144 1.00 1.99 H new ATOM 136 N THR A 9 68.664 3.824 5.824 1.00 0.16 N ATOM 137 CA THR A 9 68.023 2.472 5.844 1.00 0.17 C ATOM 138 C THR A 9 68.583 1.651 7.018 1.00 0.16 C ATOM 139 O THR A 9 69.650 1.947 7.519 1.00 0.15 O ATOM 140 CB THR A 9 68.365 1.839 4.479 1.00 0.17 C ATOM 141 OG1 THR A 9 67.632 0.633 4.327 1.00 0.18 O ATOM 142 CG2 THR A 9 69.867 1.541 4.372 1.00 0.17 C ATOM 0 H THR A 9 69.608 3.857 6.210 1.00 0.16 H new ATOM 0 HA THR A 9 66.943 2.515 5.987 1.00 0.17 H new ATOM 0 HB THR A 9 68.098 2.544 3.692 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.845 0.228 3.460 1.00 0.18 H new ATOM 0 HG21 THR A 9 70.081 1.095 3.401 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.430 2.468 4.478 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.157 0.848 5.161 1.00 0.17 H new ATOM 150 N THR A 10 67.908 0.597 7.413 1.00 0.17 N ATOM 151 CA THR A 10 68.453 -0.272 8.505 1.00 0.17 C ATOM 152 C THR A 10 68.861 -1.639 7.934 1.00 0.17 C ATOM 153 O THR A 10 68.451 -2.014 6.850 1.00 0.17 O ATOM 154 CB THR A 10 67.327 -0.380 9.568 1.00 0.17 C ATOM 155 OG1 THR A 10 67.874 -0.854 10.785 1.00 0.17 O ATOM 156 CG2 THR A 10 66.213 -1.340 9.135 1.00 0.17 C ATOM 0 H THR A 10 67.010 0.302 7.030 1.00 0.17 H new ATOM 0 HA THR A 10 69.353 0.142 8.959 1.00 0.17 H new ATOM 0 HB THR A 10 66.897 0.615 9.688 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.803 -1.129 10.641 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.448 -1.383 9.910 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.768 -0.985 8.205 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.630 -2.335 8.981 1.00 0.17 H new ATOM 164 N VAL A 11 69.707 -2.349 8.634 1.00 0.17 N ATOM 165 CA VAL A 11 70.203 -3.661 8.115 1.00 0.17 C ATOM 166 C VAL A 11 69.149 -4.749 8.335 1.00 0.17 C ATOM 167 O VAL A 11 68.643 -4.921 9.426 1.00 0.17 O ATOM 168 CB VAL A 11 71.474 -3.969 8.918 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.079 -5.296 8.438 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.498 -2.842 8.721 1.00 0.49 C ATOM 0 H VAL A 11 70.077 -2.077 9.545 1.00 0.17 H new ATOM 0 HA VAL A 11 70.406 -3.625 7.045 1.00 0.17 H new ATOM 0 HB VAL A 11 71.219 -4.046 9.975 1.00 0.21 H new ATOM 0 HG11 VAL A 11 72.981 -5.512 9.010 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.356 -6.099 8.583 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.329 -5.220 7.380 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.399 -3.065 9.293 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.750 -2.760 7.664 1.00 0.49 H new ATOM 0 HG23 VAL A 11 72.073 -1.900 9.066 1.00 0.49 H new ATOM 180 N HIS A 12 68.905 -5.541 7.327 1.00 0.21 N ATOM 181 CA HIS A 12 67.987 -6.708 7.476 1.00 0.25 C ATOM 182 C HIS A 12 68.773 -8.005 7.320 1.00 0.25 C ATOM 183 O HIS A 12 69.956 -7.995 7.039 1.00 0.25 O ATOM 184 CB HIS A 12 66.945 -6.582 6.366 1.00 0.26 C ATOM 185 CG HIS A 12 65.815 -5.714 6.843 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.006 -4.393 7.216 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.479 -5.966 7.024 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.812 -3.905 7.600 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.846 -4.821 7.502 1.00 0.56 N ATOM 0 H HIS A 12 69.307 -5.429 6.396 1.00 0.21 H new ATOM 0 HA HIS A 12 67.513 -6.723 8.457 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.398 -6.151 5.473 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.570 -7.567 6.089 1.00 0.26 H new ATOM 0 HD2 HIS A 12 63.992 -6.909 6.826 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.654 -2.894 7.946 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.858 -4.707 7.728 1.00 0.56 H new ATOM 197 N ARG A 13 68.140 -9.118 7.586 1.00 0.29 N ATOM 198 CA ARG A 13 68.850 -10.447 7.548 1.00 0.32 C ATOM 199 C ARG A 13 69.714 -10.604 6.281 1.00 0.29 C ATOM 200 O ARG A 13 69.497 -9.946 5.285 1.00 0.24 O ATOM 201 CB ARG A 13 67.721 -11.477 7.538 1.00 0.36 C ATOM 202 CG ARG A 13 67.023 -11.487 8.900 1.00 0.72 C ATOM 203 CD ARG A 13 65.968 -12.596 8.926 1.00 1.16 C ATOM 204 NE ARG A 13 65.212 -12.387 10.203 1.00 1.81 N ATOM 205 CZ ARG A 13 64.514 -13.359 10.765 1.00 2.39 C ATOM 206 NH1 ARG A 13 64.440 -14.561 10.236 1.00 2.96 N ATOM 207 NH2 ARG A 13 63.878 -13.118 11.879 1.00 2.76 N ATOM 0 H ARG A 13 67.151 -9.171 7.831 1.00 0.29 H new ATOM 0 HA ARG A 13 69.532 -10.558 8.391 1.00 0.32 H new ATOM 0 HB2 ARG A 13 67.004 -11.238 6.752 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.120 -12.467 7.315 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.753 -11.647 9.693 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.555 -10.521 9.087 1.00 0.72 H new ATOM 0 HD2 ARG A 13 65.307 -12.531 8.062 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.432 -13.582 8.900 1.00 1.16 H new ATOM 0 HE ARG A 13 65.237 -11.471 10.650 1.00 1.81 H new ATOM 0 HH11 ARG A 13 64.930 -14.766 9.365 1.00 2.96 H new ATOM 0 HH12 ARG A 13 63.892 -15.288 10.696 1.00 2.96 H new ATOM 0 HH21 ARG A 13 63.924 -12.191 12.302 1.00 2.76 H new ATOM 0 HH22 ARG A 13 63.335 -13.856 12.326 1.00 2.76 H new ATOM 221 N ILE A 14 70.758 -11.398 6.368 1.00 0.34 N ATOM 222 CA ILE A 14 71.747 -11.560 5.236 1.00 0.34 C ATOM 223 C ILE A 14 72.481 -10.244 4.897 1.00 0.28 C ATOM 224 O ILE A 14 73.212 -10.193 3.923 1.00 0.29 O ATOM 225 CB ILE A 14 70.947 -12.041 4.007 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.133 -13.291 4.358 1.00 0.31 C ATOM 227 CG2 ILE A 14 71.918 -12.384 2.877 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.123 -13.566 3.242 1.00 0.36 C ATOM 0 H ILE A 14 70.975 -11.956 7.194 1.00 0.34 H new ATOM 0 HA ILE A 14 72.516 -12.274 5.531 1.00 0.34 H new ATOM 0 HB ILE A 14 70.269 -11.247 3.695 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.796 -14.147 4.484 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.615 -13.147 5.306 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.357 -12.724 2.006 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.496 -11.499 2.613 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.594 -13.174 3.205 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.542 -14.455 3.488 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.454 -12.712 3.138 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.653 -13.727 2.303 1.00 0.36 H new ATOM 240 N GLY A 15 72.311 -9.191 5.672 1.00 0.24 N ATOM 241 CA GLY A 15 73.020 -7.908 5.366 1.00 0.20 C ATOM 242 C GLY A 15 72.321 -7.174 4.211 1.00 0.17 C ATOM 243 O GLY A 15 72.916 -6.327 3.566 1.00 0.15 O ATOM 0 H GLY A 15 71.714 -9.169 6.499 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.036 -7.273 6.252 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.057 -8.112 5.101 1.00 0.20 H new ATOM 247 N ARG A 16 71.099 -7.545 3.888 1.00 0.18 N ATOM 248 CA ARG A 16 70.404 -6.928 2.716 1.00 0.18 C ATOM 249 C ARG A 16 69.711 -5.628 3.130 1.00 0.19 C ATOM 250 O ARG A 16 69.098 -5.555 4.178 1.00 0.24 O ATOM 251 CB ARG A 16 69.376 -7.975 2.280 1.00 0.26 C ATOM 252 CG ARG A 16 68.623 -7.488 1.041 1.00 0.26 C ATOM 253 CD ARG A 16 67.534 -8.505 0.679 1.00 0.76 C ATOM 254 NE ARG A 16 68.260 -9.785 0.384 1.00 0.91 N ATOM 255 CZ ARG A 16 67.612 -10.926 0.212 1.00 1.31 C ATOM 256 NH1 ARG A 16 66.302 -11.002 0.291 1.00 1.96 N ATOM 257 NH2 ARG A 16 68.295 -12.008 -0.042 1.00 1.41 N ATOM 0 H ARG A 16 70.557 -8.249 4.389 1.00 0.18 H new ATOM 0 HA ARG A 16 71.093 -6.670 1.912 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.876 -8.919 2.063 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.673 -8.165 3.091 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.177 -6.512 1.233 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.313 -7.364 0.207 1.00 0.26 H new ATOM 0 HD2 ARG A 16 66.830 -8.634 1.501 1.00 0.76 H new ATOM 0 HD3 ARG A 16 66.959 -8.173 -0.185 1.00 0.76 H new ATOM 0 HE ARG A 16 69.278 -9.775 0.314 1.00 0.91 H new ATOM 0 HH11 ARG A 16 65.754 -10.165 0.490 1.00 1.96 H new ATOM 0 HH12 ARG A 16 65.834 -11.898 0.153 1.00 1.96 H new ATOM 0 HH21 ARG A 16 69.312 -11.966 -0.105 1.00 1.41 H new ATOM 0 HH22 ARG A 16 67.812 -12.896 -0.177 1.00 1.41 H new ATOM 271 N ILE A 17 69.700 -4.651 2.256 1.00 0.18 N ATOM 272 CA ILE A 17 68.909 -3.408 2.515 1.00 0.21 C ATOM 273 C ILE A 17 68.111 -3.036 1.262 1.00 0.19 C ATOM 274 O ILE A 17 68.522 -3.337 0.156 1.00 0.15 O ATOM 275 CB ILE A 17 69.941 -2.322 2.863 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.904 -2.109 1.687 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.739 -2.749 4.097 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.723 -0.831 1.907 1.00 0.30 C ATOM 0 H ILE A 17 70.207 -4.661 1.371 1.00 0.18 H new ATOM 0 HA ILE A 17 68.190 -3.533 3.325 1.00 0.21 H new ATOM 0 HB ILE A 17 69.415 -1.390 3.068 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.570 -2.966 1.592 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.343 -2.036 0.755 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.470 -1.978 4.342 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.061 -2.887 4.939 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.256 -3.686 3.890 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.404 -0.686 1.068 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.051 0.024 1.980 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.297 -0.921 2.829 1.00 0.30 H new ATOM 290 N ILE A 18 67.016 -2.332 1.419 1.00 0.23 N ATOM 291 CA ILE A 18 66.238 -1.875 0.225 1.00 0.20 C ATOM 292 C ILE A 18 66.223 -0.351 0.160 1.00 0.20 C ATOM 293 O ILE A 18 65.816 0.310 1.099 1.00 0.22 O ATOM 294 CB ILE A 18 64.809 -2.408 0.417 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.820 -3.935 0.625 1.00 0.25 C ATOM 296 CG2 ILE A 18 63.971 -2.065 -0.821 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.488 -4.638 -0.563 1.00 0.24 C ATOM 0 H ILE A 18 66.628 -2.055 2.321 1.00 0.23 H new ATOM 0 HA ILE A 18 66.680 -2.240 -0.702 1.00 0.20 H new ATOM 0 HB ILE A 18 64.376 -1.941 1.302 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.353 -4.178 1.544 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.799 -4.299 0.742 1.00 0.25 H new ATOM 0 HG21 ILE A 18 62.956 -2.441 -0.689 1.00 0.22 H new ATOM 0 HG22 ILE A 18 63.943 -0.983 -0.953 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.418 -2.526 -1.702 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.486 -5.715 -0.397 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.938 -4.411 -1.476 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.516 -4.288 -0.662 1.00 0.24 H new ATOM 309 N ILE A 19 66.587 0.203 -0.969 1.00 0.17 N ATOM 310 CA ILE A 19 66.508 1.688 -1.134 1.00 0.17 C ATOM 311 C ILE A 19 65.061 2.090 -1.448 1.00 0.19 C ATOM 312 O ILE A 19 64.398 1.412 -2.203 1.00 0.17 O ATOM 313 CB ILE A 19 67.441 2.023 -2.310 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.867 1.539 -1.963 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.432 3.545 -2.533 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.877 1.959 -3.038 1.00 0.23 C ATOM 0 H ILE A 19 66.934 -0.306 -1.782 1.00 0.17 H new ATOM 0 HA ILE A 19 66.805 2.225 -0.234 1.00 0.17 H new ATOM 0 HB ILE A 19 67.106 1.528 -3.221 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.168 1.949 -0.999 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.870 0.454 -1.863 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.090 3.795 -3.365 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.418 3.873 -2.762 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.781 4.047 -1.631 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.870 1.603 -2.763 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.589 1.527 -3.996 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.891 3.046 -3.119 1.00 0.23 H new ATOM 328 N PRO A 20 64.635 3.236 -0.953 1.00 0.24 N ATOM 329 CA PRO A 20 63.287 3.751 -1.317 1.00 0.28 C ATOM 330 C PRO A 20 63.230 4.033 -2.811 1.00 0.26 C ATOM 331 O PRO A 20 64.203 4.464 -3.402 1.00 0.25 O ATOM 332 CB PRO A 20 63.172 5.043 -0.519 1.00 0.34 C ATOM 333 CG PRO A 20 64.593 5.445 -0.305 1.00 0.35 C ATOM 334 CD PRO A 20 65.321 4.163 -0.033 1.00 0.29 C ATOM 0 HA PRO A 20 62.480 3.051 -1.100 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.617 5.805 -1.066 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.652 4.887 0.426 1.00 0.34 H new ATOM 0 HG2 PRO A 20 64.997 5.950 -1.182 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.686 6.137 0.532 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.386 4.242 -0.249 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.229 3.852 1.008 1.00 0.29 H new ATOM 342 N ALA A 21 62.107 3.776 -3.425 1.00 0.28 N ATOM 343 CA ALA A 21 61.983 3.994 -4.901 1.00 0.29 C ATOM 344 C ALA A 21 62.299 5.452 -5.257 1.00 0.31 C ATOM 345 O ALA A 21 62.723 5.751 -6.359 1.00 0.32 O ATOM 346 CB ALA A 21 60.525 3.669 -5.240 1.00 0.33 C ATOM 0 H ALA A 21 61.265 3.423 -2.969 1.00 0.28 H new ATOM 0 HA ALA A 21 62.680 3.371 -5.461 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.360 3.807 -6.309 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.311 2.635 -4.971 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.865 4.333 -4.682 1.00 0.33 H new ATOM 352 N GLY A 22 62.095 6.359 -4.330 1.00 0.34 N ATOM 353 CA GLY A 22 62.375 7.802 -4.613 1.00 0.38 C ATOM 354 C GLY A 22 63.869 8.002 -4.866 1.00 0.37 C ATOM 355 O GLY A 22 64.260 8.701 -5.784 1.00 0.39 O ATOM 0 H GLY A 22 61.747 6.162 -3.392 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.803 8.129 -5.482 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.054 8.416 -3.771 1.00 0.38 H new ATOM 359 N THR A 23 64.708 7.403 -4.054 1.00 0.34 N ATOM 360 CA THR A 23 66.182 7.571 -4.240 1.00 0.34 C ATOM 361 C THR A 23 66.640 6.847 -5.506 1.00 0.30 C ATOM 362 O THR A 23 67.446 7.361 -6.260 1.00 0.32 O ATOM 363 CB THR A 23 66.831 6.954 -2.999 1.00 0.34 C ATOM 364 OG1 THR A 23 66.321 7.592 -1.836 1.00 0.39 O ATOM 365 CG2 THR A 23 68.349 7.148 -3.062 1.00 0.37 C ATOM 0 H THR A 23 64.435 6.807 -3.273 1.00 0.34 H new ATOM 0 HA THR A 23 66.460 8.619 -4.353 1.00 0.34 H new ATOM 0 HB THR A 23 66.604 5.888 -2.962 1.00 0.34 H new ATOM 0 HG1 THR A 23 66.709 7.176 -1.038 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.809 6.708 -2.177 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.741 6.661 -3.955 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.578 8.213 -3.099 1.00 0.37 H new ATOM 373 N ARG A 24 66.080 5.689 -5.791 1.00 0.26 N ATOM 374 CA ARG A 24 66.434 4.968 -7.073 1.00 0.25 C ATOM 375 C ARG A 24 66.173 5.893 -8.268 1.00 0.28 C ATOM 376 O ARG A 24 66.916 5.917 -9.227 1.00 0.29 O ATOM 377 CB ARG A 24 65.510 3.740 -7.202 1.00 0.25 C ATOM 378 CG ARG A 24 65.394 2.963 -5.887 1.00 0.23 C ATOM 379 CD ARG A 24 65.046 1.507 -6.188 1.00 0.24 C ATOM 380 NE ARG A 24 64.242 1.053 -5.010 1.00 0.27 N ATOM 381 CZ ARG A 24 63.372 0.063 -5.098 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.181 -0.605 -6.215 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.688 -0.266 -4.038 1.00 0.39 N ATOM 0 H ARG A 24 65.399 5.212 -5.200 1.00 0.26 H new ATOM 0 HA ARG A 24 67.483 4.672 -7.057 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.519 4.065 -7.519 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.893 3.079 -7.980 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.333 3.018 -5.335 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.626 3.409 -5.255 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.476 1.420 -7.113 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.945 0.903 -6.310 1.00 0.24 H new ATOM 0 HE ARG A 24 64.370 1.522 -4.113 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.714 -0.364 -7.051 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.500 -1.364 -6.245 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.830 0.238 -3.163 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.011 -1.027 -4.084 1.00 0.39 H new ATOM 397 N LYS A 25 65.081 6.613 -8.215 1.00 0.32 N ATOM 398 CA LYS A 25 64.698 7.507 -9.351 1.00 0.37 C ATOM 399 C LYS A 25 65.719 8.633 -9.504 1.00 0.38 C ATOM 400 O LYS A 25 66.229 8.879 -10.580 1.00 0.40 O ATOM 401 CB LYS A 25 63.325 8.073 -8.962 1.00 0.42 C ATOM 402 CG LYS A 25 62.797 8.970 -10.079 1.00 1.08 C ATOM 403 CD LYS A 25 61.442 9.550 -9.670 1.00 1.68 C ATOM 404 CE LYS A 25 60.847 10.333 -10.843 1.00 2.42 C ATOM 405 NZ LYS A 25 59.384 10.380 -10.571 1.00 2.97 N ATOM 0 H LYS A 25 64.433 6.620 -7.427 1.00 0.32 H new ATOM 0 HA LYS A 25 64.667 6.977 -10.303 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.625 7.258 -8.777 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.405 8.641 -8.035 1.00 0.42 H new ATOM 0 HG2 LYS A 25 63.504 9.775 -10.278 1.00 1.08 H new ATOM 0 HG3 LYS A 25 62.696 8.399 -11.002 1.00 1.08 H new ATOM 0 HD2 LYS A 25 60.766 8.748 -9.374 1.00 1.68 H new ATOM 0 HD3 LYS A 25 61.560 10.203 -8.805 1.00 1.68 H new ATOM 0 HE2 LYS A 25 61.270 11.336 -10.903 1.00 2.42 H new ATOM 0 HE3 LYS A 25 61.056 9.841 -11.793 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 58.906 10.902 -11.333 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 59.008 9.411 -10.526 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 59.215 10.860 -9.664 1.00 2.97 H new ATOM 419 N PHE A 26 66.031 9.306 -8.425 1.00 0.38 N ATOM 420 CA PHE A 26 67.023 10.432 -8.485 1.00 0.42 C ATOM 421 C PHE A 26 68.366 9.941 -9.037 1.00 0.42 C ATOM 422 O PHE A 26 69.062 10.662 -9.729 1.00 0.46 O ATOM 423 CB PHE A 26 67.178 10.905 -7.035 1.00 0.43 C ATOM 424 CG PHE A 26 68.097 12.102 -6.982 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.630 13.386 -7.422 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.437 11.955 -6.495 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.504 14.522 -7.373 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.312 13.091 -6.445 1.00 0.64 C ATOM 429 CZ PHE A 26 69.846 14.375 -6.884 1.00 0.67 C ATOM 0 H PHE A 26 65.642 9.126 -7.500 1.00 0.38 H new ATOM 0 HA PHE A 26 66.689 11.234 -9.144 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.203 11.165 -6.622 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.580 10.099 -6.421 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.621 13.497 -7.790 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.788 10.988 -6.165 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.153 15.488 -7.704 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.321 12.980 -6.077 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.504 15.230 -6.847 1.00 0.67 H new ATOM 439 N TYR A 27 68.757 8.749 -8.677 1.00 0.39 N ATOM 440 CA TYR A 27 70.091 8.220 -9.108 1.00 0.42 C ATOM 441 C TYR A 27 69.999 7.519 -10.477 1.00 0.35 C ATOM 442 O TYR A 27 71.007 7.290 -11.122 1.00 0.37 O ATOM 443 CB TYR A 27 70.465 7.221 -8.008 1.00 0.46 C ATOM 444 CG TYR A 27 71.870 6.697 -8.205 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.144 5.713 -9.215 1.00 0.85 C ATOM 446 CD2 TYR A 27 72.929 7.165 -7.358 1.00 0.95 C ATOM 447 CE1 TYR A 27 73.474 5.201 -9.378 1.00 1.10 C ATOM 448 CE2 TYR A 27 74.257 6.646 -7.518 1.00 1.16 C ATOM 449 CZ TYR A 27 74.528 5.665 -8.526 1.00 1.18 C ATOM 450 OH TYR A 27 75.803 5.162 -8.670 1.00 1.44 O ATOM 0 H TYR A 27 68.209 8.112 -8.099 1.00 0.39 H new ATOM 0 HA TYR A 27 70.831 9.011 -9.231 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.386 7.702 -7.033 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.760 6.390 -8.012 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.348 5.358 -9.852 1.00 0.85 H new ATOM 0 HD2 TYR A 27 72.727 7.908 -6.600 1.00 0.95 H new ATOM 0 HE1 TYR A 27 73.681 4.466 -10.142 1.00 1.10 H new ATOM 0 HE2 TYR A 27 75.053 6.995 -6.878 1.00 1.16 H new ATOM 0 HH TYR A 27 76.371 5.498 -7.946 1.00 1.44 H new ATOM 460 N GLY A 28 68.807 7.213 -10.948 1.00 0.31 N ATOM 461 CA GLY A 28 68.670 6.565 -12.289 1.00 0.29 C ATOM 462 C GLY A 28 69.059 5.085 -12.187 1.00 0.26 C ATOM 463 O GLY A 28 69.792 4.575 -13.015 1.00 0.27 O ATOM 0 H GLY A 28 67.928 7.385 -10.459 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.644 6.658 -12.646 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.307 7.070 -13.015 1.00 0.29 H new ATOM 467 N ILE A 29 68.622 4.411 -11.148 1.00 0.24 N ATOM 468 CA ILE A 29 69.020 2.978 -10.950 1.00 0.23 C ATOM 469 C ILE A 29 68.046 2.043 -11.673 1.00 0.20 C ATOM 470 O ILE A 29 66.859 2.035 -11.398 1.00 0.22 O ATOM 471 CB ILE A 29 68.966 2.735 -9.432 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.932 3.690 -8.730 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.371 1.287 -9.123 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.818 3.543 -7.208 1.00 0.42 C ATOM 0 H ILE A 29 68.007 4.791 -10.428 1.00 0.24 H new ATOM 0 HA ILE A 29 70.012 2.780 -11.356 1.00 0.23 H new ATOM 0 HB ILE A 29 67.951 2.910 -9.076 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.954 3.481 -9.046 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.712 4.718 -9.020 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.331 1.120 -8.047 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.685 0.603 -9.622 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.385 1.109 -9.481 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.512 4.230 -6.723 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.800 3.775 -6.895 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.061 2.520 -6.922 1.00 0.42 H new ATOM 486 N GLU A 30 68.579 1.135 -12.450 1.00 0.17 N ATOM 487 CA GLU A 30 67.745 0.045 -13.036 1.00 0.18 C ATOM 488 C GLU A 30 68.397 -1.304 -12.728 1.00 0.17 C ATOM 489 O GLU A 30 69.575 -1.371 -12.429 1.00 0.18 O ATOM 490 CB GLU A 30 67.729 0.310 -14.543 1.00 0.22 C ATOM 491 CG GLU A 30 67.101 1.682 -14.820 1.00 1.06 C ATOM 492 CD GLU A 30 67.009 1.937 -16.333 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.703 1.265 -17.083 1.00 1.82 O ATOM 494 OE2 GLU A 30 66.243 2.806 -16.716 1.00 1.37 O ATOM 0 H GLU A 30 69.566 1.103 -12.705 1.00 0.17 H new ATOM 0 HA GLU A 30 66.734 0.023 -12.630 1.00 0.18 H new ATOM 0 HB2 GLU A 30 68.744 0.277 -14.939 1.00 0.22 H new ATOM 0 HB3 GLU A 30 67.163 -0.469 -15.053 1.00 0.22 H new ATOM 0 HG2 GLU A 30 66.107 1.729 -14.376 1.00 1.06 H new ATOM 0 HG3 GLU A 30 67.698 2.463 -14.349 1.00 1.06 H new ATOM 501 N GLN A 31 67.641 -2.377 -12.770 1.00 0.20 N ATOM 502 CA GLN A 31 68.220 -3.723 -12.443 1.00 0.20 C ATOM 503 C GLN A 31 69.408 -4.038 -13.361 1.00 0.19 C ATOM 504 O GLN A 31 69.359 -3.809 -14.555 1.00 0.20 O ATOM 505 CB GLN A 31 67.087 -4.724 -12.674 1.00 0.25 C ATOM 506 CG GLN A 31 66.014 -4.538 -11.598 1.00 1.08 C ATOM 507 CD GLN A 31 64.819 -5.464 -11.873 1.00 1.10 C ATOM 508 OE1 GLN A 31 64.806 -6.202 -12.841 1.00 0.70 O ATOM 509 NE2 GLN A 31 63.804 -5.451 -11.055 1.00 1.99 N ATOM 0 H GLN A 31 66.651 -2.380 -13.016 1.00 0.20 H new ATOM 0 HA GLN A 31 68.593 -3.762 -11.419 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.654 -4.577 -13.664 1.00 0.25 H new ATOM 0 HB3 GLN A 31 67.475 -5.742 -12.644 1.00 0.25 H new ATOM 0 HG2 GLN A 31 66.433 -4.755 -10.615 1.00 1.08 H new ATOM 0 HG3 GLN A 31 65.682 -3.500 -11.581 1.00 1.08 H new ATOM 0 HE21 GLN A 31 63.811 -4.834 -10.243 1.00 1.99 H new ATOM 0 HE22 GLN A 31 63.002 -6.058 -11.227 1.00 1.99 H new ATOM 518 N GLY A 32 70.461 -4.585 -12.804 1.00 0.18 N ATOM 519 CA GLY A 32 71.650 -4.954 -13.627 1.00 0.19 C ATOM 520 C GLY A 32 72.697 -3.829 -13.613 1.00 0.17 C ATOM 521 O GLY A 32 73.842 -4.056 -13.965 1.00 0.18 O ATOM 0 H GLY A 32 70.546 -4.792 -11.809 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.093 -5.873 -13.242 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.340 -5.155 -14.652 1.00 0.19 H new ATOM 525 N ASP A 33 72.343 -2.634 -13.175 1.00 0.15 N ATOM 526 CA ASP A 33 73.356 -1.532 -13.103 1.00 0.14 C ATOM 527 C ASP A 33 74.272 -1.740 -11.899 1.00 0.13 C ATOM 528 O ASP A 33 73.870 -2.325 -10.911 1.00 0.14 O ATOM 529 CB ASP A 33 72.548 -0.243 -12.941 1.00 0.13 C ATOM 530 CG ASP A 33 71.762 0.058 -14.222 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.154 -0.419 -15.277 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.780 0.771 -14.123 1.00 1.07 O ATOM 0 H ASP A 33 71.404 -2.381 -12.868 1.00 0.15 H new ATOM 0 HA ASP A 33 73.989 -1.502 -13.990 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.862 -0.339 -12.100 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.217 0.587 -12.713 1.00 0.13 H new ATOM 537 N PHE A 34 75.458 -1.177 -11.931 1.00 0.12 N ATOM 538 CA PHE A 34 76.350 -1.244 -10.739 1.00 0.11 C ATOM 539 C PHE A 34 76.476 0.142 -10.119 1.00 0.10 C ATOM 540 O PHE A 34 76.698 1.115 -10.813 1.00 0.11 O ATOM 541 CB PHE A 34 77.703 -1.714 -11.271 1.00 0.12 C ATOM 542 CG PHE A 34 77.605 -3.156 -11.704 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.190 -3.480 -13.038 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.930 -4.204 -10.778 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.098 -4.853 -13.447 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.838 -5.577 -11.187 1.00 0.20 C ATOM 547 CZ PHE A 34 77.422 -5.900 -12.522 1.00 0.21 C ATOM 0 H PHE A 34 75.842 -0.676 -12.732 1.00 0.12 H new ATOM 0 HA PHE A 34 75.967 -1.915 -9.970 1.00 0.11 H new ATOM 0 HB2 PHE A 34 78.010 -1.092 -12.112 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.465 -1.607 -10.499 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.947 -2.691 -13.735 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.244 -3.959 -9.774 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.785 -5.097 -14.451 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.082 -6.366 -10.491 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.353 -6.933 -12.830 1.00 0.21 H new ATOM 557 N VAL A 35 76.436 0.220 -8.816 1.00 0.09 N ATOM 558 CA VAL A 35 76.670 1.527 -8.136 1.00 0.09 C ATOM 559 C VAL A 35 77.704 1.339 -7.024 1.00 0.10 C ATOM 560 O VAL A 35 77.868 0.253 -6.503 1.00 0.10 O ATOM 561 CB VAL A 35 75.303 1.954 -7.582 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.315 2.122 -8.742 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.767 0.893 -6.614 1.00 0.15 C ATOM 0 H VAL A 35 76.251 -0.566 -8.192 1.00 0.09 H new ATOM 0 HA VAL A 35 77.064 2.291 -8.806 1.00 0.09 H new ATOM 0 HB VAL A 35 75.417 2.898 -7.049 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.344 2.425 -8.352 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.685 2.885 -9.427 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.213 1.176 -9.273 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.797 1.209 -6.229 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.658 -0.056 -7.139 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.464 0.771 -5.785 1.00 0.15 H new ATOM 573 N GLU A 36 78.409 2.384 -6.672 1.00 0.12 N ATOM 574 CA GLU A 36 79.451 2.273 -5.610 1.00 0.13 C ATOM 575 C GLU A 36 79.028 3.134 -4.437 1.00 0.13 C ATOM 576 O GLU A 36 78.601 4.256 -4.630 1.00 0.13 O ATOM 577 CB GLU A 36 80.736 2.808 -6.244 1.00 0.14 C ATOM 578 CG GLU A 36 81.907 2.611 -5.271 1.00 0.15 C ATOM 579 CD GLU A 36 83.198 3.230 -5.839 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.144 3.850 -6.893 1.00 1.09 O ATOM 581 OE2 GLU A 36 84.226 3.075 -5.199 1.00 1.03 O ATOM 0 H GLU A 36 78.306 3.314 -7.078 1.00 0.12 H new ATOM 0 HA GLU A 36 79.592 1.254 -5.248 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.936 2.288 -7.181 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.623 3.865 -6.484 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.670 3.070 -4.311 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.058 1.547 -5.087 1.00 0.15 H new ATOM 588 N ILE A 37 78.923 2.544 -3.276 1.00 0.12 N ATOM 589 CA ILE A 37 78.259 3.253 -2.148 1.00 0.11 C ATOM 590 C ILE A 37 79.000 3.001 -0.830 1.00 0.11 C ATOM 591 O ILE A 37 79.671 1.999 -0.670 1.00 0.12 O ATOM 592 CB ILE A 37 76.842 2.666 -2.123 1.00 0.12 C ATOM 593 CG1 ILE A 37 76.016 3.346 -1.031 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.896 1.156 -1.858 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.521 3.219 -1.354 1.00 0.14 C ATOM 0 H ILE A 37 79.266 1.608 -3.062 1.00 0.12 H new ATOM 0 HA ILE A 37 78.253 4.336 -2.273 1.00 0.11 H new ATOM 0 HB ILE A 37 76.376 2.841 -3.093 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.228 2.889 -0.064 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.293 4.398 -0.955 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.883 0.753 -1.843 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.469 0.668 -2.647 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.374 0.972 -0.896 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.937 3.705 -0.572 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.314 3.696 -2.312 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.249 2.165 -1.408 1.00 0.14 H new ATOM 607 N LYS A 38 78.835 3.882 0.125 1.00 0.12 N ATOM 608 CA LYS A 38 79.474 3.680 1.459 1.00 0.13 C ATOM 609 C LYS A 38 78.459 3.912 2.581 1.00 0.13 C ATOM 610 O LYS A 38 77.591 4.754 2.475 1.00 0.14 O ATOM 611 CB LYS A 38 80.590 4.719 1.534 1.00 0.13 C ATOM 612 CG LYS A 38 81.487 4.392 2.724 1.00 0.18 C ATOM 613 CD LYS A 38 82.638 5.400 2.794 1.00 0.25 C ATOM 614 CE LYS A 38 83.597 5.007 3.921 1.00 1.03 C ATOM 615 NZ LYS A 38 83.972 6.293 4.574 1.00 1.11 N ATOM 0 H LYS A 38 78.283 4.735 0.036 1.00 0.12 H new ATOM 0 HA LYS A 38 79.852 2.664 1.576 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.171 4.716 0.612 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.169 5.718 1.642 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.908 4.421 3.647 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.882 3.381 2.627 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.170 5.427 1.843 1.00 0.25 H new ATOM 0 HD3 LYS A 38 82.247 6.402 2.969 1.00 0.25 H new ATOM 0 HE2 LYS A 38 83.118 4.330 4.628 1.00 1.03 H new ATOM 0 HE3 LYS A 38 84.475 4.492 3.531 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 84.367 6.101 5.517 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 84.683 6.782 3.994 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.128 6.894 4.667 1.00 1.11 H new ATOM 629 N ILE A 39 78.579 3.178 3.660 1.00 0.14 N ATOM 630 CA ILE A 39 77.639 3.358 4.812 1.00 0.14 C ATOM 631 C ILE A 39 78.390 3.864 6.045 1.00 0.13 C ATOM 632 O ILE A 39 79.543 3.536 6.254 1.00 0.13 O ATOM 633 CB ILE A 39 77.048 1.969 5.093 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.176 0.960 5.356 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.215 1.512 3.895 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.600 -0.303 5.994 1.00 0.20 C ATOM 0 H ILE A 39 79.290 2.459 3.794 1.00 0.14 H new ATOM 0 HA ILE A 39 76.865 4.090 4.580 1.00 0.14 H new ATOM 0 HB ILE A 39 76.411 2.026 5.975 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.678 0.710 4.422 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.926 1.401 6.013 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.797 0.526 4.097 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.405 2.221 3.723 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.848 1.463 3.009 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.403 -1.016 6.179 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.118 -0.047 6.937 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.867 -0.749 5.321 1.00 0.20 H new ATOM 648 N VAL A 40 77.713 4.597 6.895 1.00 0.13 N ATOM 649 CA VAL A 40 78.344 5.060 8.168 1.00 0.12 C ATOM 650 C VAL A 40 77.342 4.934 9.323 1.00 0.16 C ATOM 651 O VAL A 40 76.283 5.532 9.308 1.00 0.20 O ATOM 652 CB VAL A 40 78.709 6.532 7.929 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.395 7.102 9.175 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.664 6.643 6.736 1.00 0.16 C ATOM 0 H VAL A 40 76.747 4.895 6.760 1.00 0.13 H new ATOM 0 HA VAL A 40 79.219 4.468 8.434 1.00 0.12 H new ATOM 0 HB VAL A 40 77.798 7.094 7.721 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.653 8.147 9.002 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.719 7.031 10.027 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.302 6.534 9.383 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.920 7.690 6.571 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.572 6.076 6.943 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.181 6.243 5.845 1.00 0.16 H new ATOM 664 N LYS A 41 77.732 4.249 10.368 1.00 0.17 N ATOM 665 CA LYS A 41 76.885 4.174 11.596 1.00 0.22 C ATOM 666 C LYS A 41 77.744 4.491 12.817 1.00 0.21 C ATOM 667 O LYS A 41 78.920 4.190 12.846 1.00 0.22 O ATOM 668 CB LYS A 41 76.373 2.731 11.653 1.00 0.28 C ATOM 669 CG LYS A 41 75.509 2.527 12.907 1.00 0.54 C ATOM 670 CD LYS A 41 74.175 3.261 12.747 1.00 1.11 C ATOM 671 CE LYS A 41 73.706 3.768 14.113 1.00 1.50 C ATOM 672 NZ LYS A 41 72.817 2.696 14.638 1.00 1.98 N ATOM 0 H LYS A 41 78.610 3.733 10.423 1.00 0.17 H new ATOM 0 HA LYS A 41 76.058 4.884 11.580 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.790 2.508 10.760 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.215 2.038 11.665 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.332 1.464 13.068 1.00 0.54 H new ATOM 0 HG3 LYS A 41 76.035 2.899 13.786 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.288 4.096 12.056 1.00 1.11 H new ATOM 0 HD3 LYS A 41 73.428 2.592 12.319 1.00 1.11 H new ATOM 0 HE2 LYS A 41 74.550 3.942 14.780 1.00 1.50 H new ATOM 0 HE3 LYS A 41 73.172 4.714 14.021 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 72.456 2.972 15.573 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 72.019 2.557 13.986 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 73.354 1.810 14.722 1.00 1.98 H new ATOM 686 N TYR A 42 77.169 5.115 13.808 1.00 0.20 N ATOM 687 CA TYR A 42 77.956 5.483 15.025 1.00 0.20 C ATOM 688 C TYR A 42 77.558 4.597 16.208 1.00 0.27 C ATOM 689 O TYR A 42 76.392 4.479 16.536 1.00 0.33 O ATOM 690 CB TYR A 42 77.604 6.945 15.303 1.00 0.22 C ATOM 691 CG TYR A 42 78.562 7.503 16.327 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.878 7.911 15.927 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.159 7.627 17.698 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.791 8.441 16.896 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.072 8.158 18.670 1.00 0.25 C ATOM 696 CZ TYR A 42 80.388 8.566 18.268 1.00 0.28 C ATOM 697 OH TYR A 42 81.267 9.076 19.202 1.00 0.33 O ATOM 0 H TYR A 42 76.186 5.388 13.830 1.00 0.20 H new ATOM 0 HA TYR A 42 79.027 5.345 14.877 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.659 7.526 14.382 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.579 7.021 15.667 1.00 0.22 H new ATOM 0 HD1 TYR A 42 80.181 7.819 14.894 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.168 7.321 17.999 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.782 8.746 16.594 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.769 8.250 19.703 1.00 0.25 H new ATOM 0 HH TYR A 42 80.765 9.531 19.910 1.00 0.33 H new ATOM 707 N GLU A 43 78.526 4.018 16.882 1.00 0.29 N ATOM 708 CA GLU A 43 78.217 3.190 18.087 1.00 0.37 C ATOM 709 C GLU A 43 79.166 3.553 19.234 1.00 0.35 C ATOM 710 O GLU A 43 80.366 3.641 19.054 1.00 0.30 O ATOM 711 CB GLU A 43 78.418 1.734 17.642 1.00 0.44 C ATOM 712 CG GLU A 43 79.858 1.521 17.162 1.00 0.63 C ATOM 713 CD GLU A 43 80.012 0.092 16.637 1.00 0.80 C ATOM 714 OE1 GLU A 43 79.212 -0.302 15.804 1.00 1.48 O ATOM 715 OE2 GLU A 43 80.929 -0.583 17.076 1.00 1.34 O ATOM 0 H GLU A 43 79.516 4.085 16.647 1.00 0.29 H new ATOM 0 HA GLU A 43 77.204 3.356 18.455 1.00 0.37 H new ATOM 0 HB2 GLU A 43 78.199 1.060 18.470 1.00 0.44 H new ATOM 0 HB3 GLU A 43 77.720 1.491 16.841 1.00 0.44 H new ATOM 0 HG2 GLU A 43 80.101 2.237 16.377 1.00 0.63 H new ATOM 0 HG3 GLU A 43 80.556 1.697 17.981 1.00 0.63 H new ATOM 722 N GLY A 44 78.626 3.813 20.399 1.00 0.41 N ATOM 723 CA GLY A 44 79.475 4.225 21.559 1.00 0.41 C ATOM 724 C GLY A 44 80.229 5.516 21.219 1.00 0.37 C ATOM 725 O GLY A 44 79.643 6.487 20.779 1.00 0.37 O ATOM 0 H GLY A 44 77.627 3.757 20.597 1.00 0.41 H new ATOM 0 HA2 GLY A 44 78.853 4.378 22.441 1.00 0.41 H new ATOM 0 HA3 GLY A 44 80.183 3.433 21.802 1.00 0.41 H new ATOM 729 N GLU A 45 81.527 5.520 21.405 1.00 0.37 N ATOM 730 CA GLU A 45 82.337 6.735 21.078 1.00 0.37 C ATOM 731 C GLU A 45 83.141 6.549 19.776 1.00 0.34 C ATOM 732 O GLU A 45 84.069 7.294 19.516 1.00 0.36 O ATOM 733 CB GLU A 45 83.269 6.943 22.286 1.00 0.44 C ATOM 734 CG GLU A 45 84.274 5.788 22.414 1.00 0.45 C ATOM 735 CD GLU A 45 85.211 6.057 23.593 1.00 0.54 C ATOM 736 OE1 GLU A 45 86.040 6.943 23.476 1.00 1.27 O ATOM 737 OE2 GLU A 45 85.082 5.371 24.594 1.00 1.17 O ATOM 0 H GLU A 45 82.061 4.732 21.770 1.00 0.37 H new ATOM 0 HA GLU A 45 81.700 7.603 20.906 1.00 0.37 H new ATOM 0 HB2 GLU A 45 83.805 7.886 22.177 1.00 0.44 H new ATOM 0 HB3 GLU A 45 82.677 7.017 23.198 1.00 0.44 H new ATOM 0 HG2 GLU A 45 83.745 4.846 22.563 1.00 0.45 H new ATOM 0 HG3 GLU A 45 84.849 5.688 21.494 1.00 0.45 H new ATOM 744 N GLU A 46 82.823 5.548 18.980 1.00 0.31 N ATOM 745 CA GLU A 46 83.608 5.307 17.728 1.00 0.30 C ATOM 746 C GLU A 46 82.670 5.124 16.512 1.00 0.25 C ATOM 747 O GLU A 46 81.835 4.240 16.519 1.00 0.25 O ATOM 748 CB GLU A 46 84.421 4.030 17.997 1.00 0.38 C ATOM 749 CG GLU A 46 83.493 2.831 18.233 1.00 0.41 C ATOM 750 CD GLU A 46 84.306 1.665 18.801 1.00 0.63 C ATOM 751 OE1 GLU A 46 85.406 1.447 18.323 1.00 1.37 O ATOM 752 OE2 GLU A 46 83.813 1.009 19.704 1.00 1.19 O ATOM 0 H GLU A 46 82.058 4.894 19.145 1.00 0.31 H new ATOM 0 HA GLU A 46 84.253 6.152 17.487 1.00 0.30 H new ATOM 0 HB2 GLU A 46 85.077 3.826 17.151 1.00 0.38 H new ATOM 0 HB3 GLU A 46 85.060 4.177 18.868 1.00 0.38 H new ATOM 0 HG2 GLU A 46 82.696 3.104 18.924 1.00 0.41 H new ATOM 0 HG3 GLU A 46 83.017 2.536 17.298 1.00 0.41 H new ATOM 759 N PRO A 47 82.890 5.894 15.455 1.00 0.25 N ATOM 760 CA PRO A 47 82.119 5.685 14.206 1.00 0.21 C ATOM 761 C PRO A 47 82.631 4.440 13.469 1.00 0.27 C ATOM 762 O PRO A 47 83.823 4.256 13.307 1.00 0.34 O ATOM 763 CB PRO A 47 82.374 6.952 13.376 1.00 0.24 C ATOM 764 CG PRO A 47 83.234 7.848 14.221 1.00 0.33 C ATOM 765 CD PRO A 47 83.837 7.007 15.311 1.00 0.31 C ATOM 0 HA PRO A 47 81.057 5.524 14.392 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.872 6.708 12.438 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.436 7.444 13.120 1.00 0.24 H new ATOM 0 HG2 PRO A 47 84.015 8.309 13.617 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.641 8.658 14.646 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.832 6.654 15.040 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.940 7.568 16.240 1.00 0.31 H new ATOM 773 N LYS A 48 81.735 3.665 12.909 1.00 0.26 N ATOM 774 CA LYS A 48 82.151 2.519 12.042 1.00 0.35 C ATOM 775 C LYS A 48 81.692 2.770 10.603 1.00 0.28 C ATOM 776 O LYS A 48 80.612 3.279 10.377 1.00 0.24 O ATOM 777 CB LYS A 48 81.443 1.293 12.622 1.00 0.45 C ATOM 778 CG LYS A 48 81.888 1.076 14.070 1.00 0.60 C ATOM 779 CD LYS A 48 83.368 0.694 14.090 1.00 0.47 C ATOM 780 CE LYS A 48 83.774 0.293 15.509 1.00 0.48 C ATOM 781 NZ LYS A 48 85.160 0.815 15.673 1.00 1.10 N ATOM 0 H LYS A 48 80.727 3.778 13.016 1.00 0.26 H new ATOM 0 HA LYS A 48 83.233 2.385 12.022 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.363 1.432 12.581 1.00 0.45 H new ATOM 0 HB3 LYS A 48 81.674 0.411 12.024 1.00 0.45 H new ATOM 0 HG2 LYS A 48 81.727 1.983 14.652 1.00 0.60 H new ATOM 0 HG3 LYS A 48 81.291 0.290 14.532 1.00 0.60 H new ATOM 0 HD2 LYS A 48 83.551 -0.131 13.402 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.975 1.533 13.750 1.00 0.47 H new ATOM 0 HE2 LYS A 48 83.100 0.723 16.249 1.00 0.48 H new ATOM 0 HE3 LYS A 48 83.741 -0.789 15.639 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 85.410 0.826 16.683 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 85.825 0.202 15.159 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 85.214 1.781 15.292 1.00 1.10 H new ATOM 795 N GLU A 49 82.532 2.481 9.639 1.00 0.26 N ATOM 796 CA GLU A 49 82.178 2.777 8.216 1.00 0.20 C ATOM 797 C GLU A 49 82.516 1.588 7.314 1.00 0.19 C ATOM 798 O GLU A 49 83.278 0.712 7.683 1.00 0.21 O ATOM 799 CB GLU A 49 83.030 3.990 7.840 1.00 0.25 C ATOM 800 CG GLU A 49 82.657 5.178 8.736 1.00 0.80 C ATOM 801 CD GLU A 49 83.449 6.430 8.324 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.467 6.287 7.662 1.00 1.42 O ATOM 803 OE2 GLU A 49 83.027 7.514 8.690 1.00 0.96 O ATOM 0 H GLU A 49 83.448 2.053 9.776 1.00 0.26 H new ATOM 0 HA GLU A 49 81.112 2.968 8.094 1.00 0.20 H new ATOM 0 HB2 GLU A 49 84.088 3.754 7.954 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.872 4.248 6.793 1.00 0.25 H new ATOM 0 HG2 GLU A 49 81.588 5.376 8.662 1.00 0.80 H new ATOM 0 HG3 GLU A 49 82.865 4.935 9.778 1.00 0.80 H new ATOM 810 N GLY A 50 81.977 1.577 6.120 1.00 0.16 N ATOM 811 CA GLY A 50 82.281 0.476 5.159 1.00 0.16 C ATOM 812 C GLY A 50 81.985 0.946 3.735 1.00 0.15 C ATOM 813 O GLY A 50 80.946 1.514 3.470 1.00 0.17 O ATOM 0 H GLY A 50 81.336 2.288 5.769 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.327 0.181 5.246 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.681 -0.403 5.395 1.00 0.16 H new ATOM 817 N THR A 51 82.868 0.656 2.807 1.00 0.14 N ATOM 818 CA THR A 51 82.614 1.023 1.380 1.00 0.14 C ATOM 819 C THR A 51 82.682 -0.228 0.504 1.00 0.13 C ATOM 820 O THR A 51 83.590 -1.030 0.640 1.00 0.15 O ATOM 821 CB THR A 51 83.741 1.986 0.998 1.00 0.16 C ATOM 822 OG1 THR A 51 83.981 2.889 2.067 1.00 0.18 O ATOM 823 CG2 THR A 51 83.340 2.770 -0.255 1.00 0.21 C ATOM 0 H THR A 51 83.754 0.180 2.979 1.00 0.14 H new ATOM 0 HA THR A 51 81.631 1.473 1.244 1.00 0.14 H new ATOM 0 HB THR A 51 84.649 1.418 0.796 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.935 2.885 2.290 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.142 3.456 -0.527 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.161 2.076 -1.077 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.431 3.337 -0.054 1.00 0.21 H new ATOM 831 N PHE A 52 81.774 -0.367 -0.433 1.00 0.12 N ATOM 832 CA PHE A 52 81.841 -1.535 -1.368 1.00 0.13 C ATOM 833 C PHE A 52 81.112 -1.227 -2.690 1.00 0.11 C ATOM 834 O PHE A 52 80.379 -0.260 -2.794 1.00 0.10 O ATOM 835 CB PHE A 52 81.198 -2.711 -0.591 1.00 0.14 C ATOM 836 CG PHE A 52 79.686 -2.584 -0.528 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.072 -1.594 0.311 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.871 -3.454 -1.327 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.641 -1.479 0.352 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.444 -3.337 -1.287 1.00 0.14 C ATOM 841 CZ PHE A 52 76.827 -2.350 -0.450 1.00 0.15 C ATOM 0 H PHE A 52 80.995 0.273 -0.590 1.00 0.12 H new ATOM 0 HA PHE A 52 82.863 -1.777 -1.661 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.464 -3.653 -1.071 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.603 -2.743 0.421 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.685 -0.937 0.910 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.334 -4.197 -1.959 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.177 -0.738 0.986 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.832 -3.993 -1.888 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.751 -2.261 -0.422 1.00 0.15 H new ATOM 851 N THR A 53 81.221 -2.115 -3.648 1.00 0.12 N ATOM 852 CA THR A 53 80.440 -1.967 -4.912 1.00 0.11 C ATOM 853 C THR A 53 79.314 -3.003 -4.941 1.00 0.11 C ATOM 854 O THR A 53 79.472 -4.111 -4.461 1.00 0.12 O ATOM 855 CB THR A 53 81.442 -2.234 -6.037 1.00 0.11 C ATOM 856 OG1 THR A 53 82.539 -1.339 -5.913 1.00 0.13 O ATOM 857 CG2 THR A 53 80.761 -2.026 -7.391 1.00 0.11 C ATOM 0 H THR A 53 81.821 -2.939 -3.607 1.00 0.12 H new ATOM 0 HA THR A 53 79.982 -0.982 -5.008 1.00 0.11 H new ATOM 0 HB THR A 53 81.800 -3.261 -5.969 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.183 -1.509 -6.632 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.476 -2.217 -8.191 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.920 -2.713 -7.485 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.401 -1.000 -7.463 1.00 0.11 H new ATOM 865 N ALA A 54 78.156 -2.621 -5.422 1.00 0.11 N ATOM 866 CA ALA A 54 76.984 -3.548 -5.393 1.00 0.13 C ATOM 867 C ALA A 54 76.156 -3.408 -6.671 1.00 0.13 C ATOM 868 O ALA A 54 75.965 -2.318 -7.174 1.00 0.11 O ATOM 869 CB ALA A 54 76.166 -3.111 -4.172 1.00 0.14 C ATOM 0 H ALA A 54 77.973 -1.706 -5.834 1.00 0.11 H new ATOM 0 HA ALA A 54 77.289 -4.593 -5.331 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.284 -3.745 -4.079 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.776 -3.204 -3.273 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.856 -2.073 -4.294 1.00 0.14 H new ATOM 875 N ARG A 55 75.592 -4.494 -7.140 1.00 0.15 N ATOM 876 CA ARG A 55 74.684 -4.423 -8.322 1.00 0.15 C ATOM 877 C ARG A 55 73.234 -4.296 -7.850 1.00 0.15 C ATOM 878 O ARG A 55 72.853 -4.851 -6.836 1.00 0.16 O ATOM 879 CB ARG A 55 74.889 -5.735 -9.078 1.00 0.19 C ATOM 880 CG ARG A 55 74.359 -5.582 -10.506 1.00 0.27 C ATOM 881 CD ARG A 55 74.473 -6.918 -11.246 1.00 0.45 C ATOM 882 NE ARG A 55 73.321 -7.736 -10.750 1.00 0.90 N ATOM 883 CZ ARG A 55 73.326 -9.057 -10.811 1.00 1.48 C ATOM 884 NH1 ARG A 55 74.335 -9.728 -11.323 1.00 1.67 N ATOM 885 NH2 ARG A 55 72.295 -9.715 -10.356 1.00 2.21 N ATOM 0 H ARG A 55 75.723 -5.428 -6.752 1.00 0.15 H new ATOM 0 HA ARG A 55 74.898 -3.562 -8.955 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.947 -5.996 -9.096 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.369 -6.547 -8.569 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.320 -5.255 -10.485 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.925 -4.814 -11.034 1.00 0.27 H new ATOM 0 HD2 ARG A 55 74.421 -6.777 -12.326 1.00 0.45 H new ATOM 0 HD3 ARG A 55 75.424 -7.407 -11.034 1.00 0.45 H new ATOM 0 HE ARG A 55 72.510 -7.261 -10.354 1.00 0.90 H new ATOM 0 HH11 ARG A 55 75.146 -9.229 -11.689 1.00 1.67 H new ATOM 0 HH12 ARG A 55 74.306 -10.747 -11.354 1.00 1.67 H new ATOM 0 HH21 ARG A 55 71.502 -9.210 -9.961 1.00 2.21 H new ATOM 0 HH22 ARG A 55 72.283 -10.734 -10.395 1.00 2.21 H new ATOM 899 N VAL A 56 72.434 -3.560 -8.575 1.00 0.14 N ATOM 900 CA VAL A 56 71.005 -3.375 -8.177 1.00 0.14 C ATOM 901 C VAL A 56 70.188 -4.607 -8.571 1.00 0.15 C ATOM 902 O VAL A 56 70.176 -5.016 -9.718 1.00 0.17 O ATOM 903 CB VAL A 56 70.544 -2.128 -8.943 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.046 -1.866 -8.705 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.360 -0.925 -8.458 1.00 0.17 C ATOM 0 H VAL A 56 72.709 -3.076 -9.430 1.00 0.14 H new ATOM 0 HA VAL A 56 70.877 -3.253 -7.101 1.00 0.14 H new ATOM 0 HB VAL A 56 70.698 -2.285 -10.011 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.740 -0.977 -9.257 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.468 -2.724 -9.048 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.868 -1.711 -7.641 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.043 -0.030 -8.994 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.199 -0.783 -7.389 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.419 -1.104 -8.645 1.00 0.17 H new ATOM 915 N GLY A 57 69.489 -5.172 -7.625 1.00 0.16 N ATOM 916 CA GLY A 57 68.637 -6.359 -7.914 1.00 0.19 C ATOM 917 C GLY A 57 67.167 -5.948 -7.977 1.00 0.18 C ATOM 918 O GLY A 57 66.831 -4.778 -8.069 1.00 0.16 O ATOM 0 H GLY A 57 69.472 -4.858 -6.655 1.00 0.16 H new ATOM 0 HA2 GLY A 57 68.937 -6.810 -8.860 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.778 -7.115 -7.141 1.00 0.19 H new ATOM 922 N GLU A 58 66.290 -6.914 -7.940 1.00 0.21 N ATOM 923 CA GLU A 58 64.826 -6.616 -8.018 1.00 0.22 C ATOM 924 C GLU A 58 64.398 -5.752 -6.828 1.00 0.22 C ATOM 925 O GLU A 58 64.999 -5.788 -5.771 1.00 0.24 O ATOM 926 CB GLU A 58 64.134 -7.983 -7.971 1.00 0.27 C ATOM 927 CG GLU A 58 62.628 -7.812 -8.206 1.00 0.81 C ATOM 928 CD GLU A 58 61.902 -9.167 -8.113 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.541 -10.160 -7.792 1.00 1.39 O ATOM 930 OE2 GLU A 58 60.709 -9.187 -8.368 1.00 1.28 O ATOM 0 H GLU A 58 66.523 -7.904 -7.859 1.00 0.21 H new ATOM 0 HA GLU A 58 64.566 -6.063 -8.921 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.557 -8.641 -8.730 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.309 -8.456 -7.005 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.216 -7.123 -7.469 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.457 -7.369 -9.187 1.00 0.81 H new ATOM 937 N GLN A 59 63.369 -4.959 -7.006 1.00 0.25 N ATOM 938 CA GLN A 59 62.877 -4.063 -5.908 1.00 0.30 C ATOM 939 C GLN A 59 63.999 -3.184 -5.334 1.00 0.23 C ATOM 940 O GLN A 59 63.825 -2.582 -4.289 1.00 0.23 O ATOM 941 CB GLN A 59 62.328 -5.003 -4.828 1.00 0.37 C ATOM 942 CG GLN A 59 61.003 -5.603 -5.305 1.00 0.46 C ATOM 943 CD GLN A 59 60.586 -6.745 -4.376 1.00 0.56 C ATOM 944 OE1 GLN A 59 61.036 -6.829 -3.249 1.00 0.82 O ATOM 945 NE2 GLN A 59 59.741 -7.640 -4.808 1.00 0.81 N ATOM 0 H GLN A 59 62.841 -4.893 -7.876 1.00 0.25 H new ATOM 0 HA GLN A 59 62.120 -3.373 -6.282 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.046 -5.796 -4.621 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.179 -4.457 -3.896 1.00 0.37 H new ATOM 0 HG2 GLN A 59 60.230 -4.834 -5.321 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.107 -5.972 -6.325 1.00 0.46 H new ATOM 0 HE21 GLN A 59 59.363 -7.570 -5.753 1.00 0.81 H new ATOM 0 HE22 GLN A 59 59.458 -8.409 -4.201 1.00 0.81 H new ATOM 954 N GLY A 60 65.070 -2.968 -6.075 1.00 0.19 N ATOM 955 CA GLY A 60 66.092 -1.964 -5.632 1.00 0.16 C ATOM 956 C GLY A 60 66.914 -2.504 -4.457 1.00 0.12 C ATOM 957 O GLY A 60 67.473 -1.737 -3.689 1.00 0.12 O ATOM 0 H GLY A 60 65.275 -3.439 -6.956 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.754 -1.722 -6.463 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.596 -1.039 -5.339 1.00 0.16 H new ATOM 961 N SER A 61 66.943 -3.804 -4.270 1.00 0.14 N ATOM 962 CA SER A 61 67.685 -4.378 -3.106 1.00 0.16 C ATOM 963 C SER A 61 69.188 -4.401 -3.395 1.00 0.15 C ATOM 964 O SER A 61 69.612 -4.686 -4.499 1.00 0.18 O ATOM 965 CB SER A 61 67.151 -5.800 -2.944 1.00 0.21 C ATOM 966 OG SER A 61 67.619 -6.339 -1.714 1.00 1.30 O ATOM 0 H SER A 61 66.486 -4.488 -4.872 1.00 0.14 H new ATOM 0 HA SER A 61 67.542 -3.788 -2.201 1.00 0.16 H new ATOM 0 HB2 SER A 61 66.061 -5.796 -2.962 1.00 0.21 H new ATOM 0 HB3 SER A 61 67.481 -6.422 -3.776 1.00 0.21 H new ATOM 0 HG SER A 61 68.010 -7.223 -1.872 1.00 1.30 H new ATOM 972 N VAL A 62 69.987 -4.177 -2.385 1.00 0.14 N ATOM 973 CA VAL A 62 71.469 -4.268 -2.545 1.00 0.15 C ATOM 974 C VAL A 62 72.075 -4.977 -1.325 1.00 0.14 C ATOM 975 O VAL A 62 71.525 -4.919 -0.241 1.00 0.14 O ATOM 976 CB VAL A 62 71.952 -2.814 -2.650 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.575 -2.038 -1.386 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.472 -2.793 -2.821 1.00 0.21 C ATOM 0 H VAL A 62 69.673 -3.932 -1.446 1.00 0.14 H new ATOM 0 HA VAL A 62 71.767 -4.843 -3.422 1.00 0.15 H new ATOM 0 HB VAL A 62 71.476 -2.345 -3.511 1.00 0.17 H new ATOM 0 HG11 VAL A 62 71.923 -1.009 -1.473 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.492 -2.045 -1.264 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.041 -2.506 -0.519 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.816 -1.761 -2.896 1.00 0.21 H new ATOM 0 HG22 VAL A 62 73.942 -3.270 -1.961 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.744 -3.332 -3.728 1.00 0.21 H new ATOM 988 N ILE A 63 73.131 -5.731 -1.521 1.00 0.16 N ATOM 989 CA ILE A 63 73.692 -6.550 -0.397 1.00 0.17 C ATOM 990 C ILE A 63 75.051 -5.996 0.047 1.00 0.16 C ATOM 991 O ILE A 63 76.008 -6.013 -0.706 1.00 0.19 O ATOM 992 CB ILE A 63 73.863 -7.968 -0.966 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.531 -8.491 -1.542 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.340 -8.908 0.144 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.442 -8.500 -0.462 1.00 0.34 C ATOM 0 H ILE A 63 73.628 -5.815 -2.408 1.00 0.16 H new ATOM 0 HA ILE A 63 73.037 -6.534 0.474 1.00 0.17 H new ATOM 0 HB ILE A 63 74.600 -7.934 -1.768 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.218 -7.863 -2.376 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.669 -9.498 -1.935 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.462 -9.914 -0.258 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.295 -8.555 0.534 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.604 -8.925 0.948 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.510 -8.872 -0.888 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.749 -9.147 0.359 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.291 -7.487 -0.089 1.00 0.34 H new ATOM 1007 N ILE A 64 75.174 -5.651 1.308 1.00 0.15 N ATOM 1008 CA ILE A 64 76.512 -5.263 1.860 1.00 0.16 C ATOM 1009 C ILE A 64 77.338 -6.532 2.141 1.00 0.18 C ATOM 1010 O ILE A 64 76.789 -7.526 2.564 1.00 0.20 O ATOM 1011 CB ILE A 64 76.208 -4.513 3.163 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.353 -3.278 2.858 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.517 -4.065 3.819 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.782 -2.717 4.162 1.00 0.32 C ATOM 0 H ILE A 64 74.406 -5.621 1.978 1.00 0.15 H new ATOM 0 HA ILE A 64 77.088 -4.646 1.171 1.00 0.16 H new ATOM 0 HB ILE A 64 75.668 -5.177 3.838 1.00 0.19 H new ATOM 0 HG12 ILE A 64 75.955 -2.520 2.357 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.543 -3.542 2.178 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.297 -3.533 4.744 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.131 -4.938 4.040 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.057 -3.405 3.140 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.174 -1.839 3.945 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.165 -3.475 4.645 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.599 -2.437 4.826 1.00 0.32 H new ATOM 1026 N PRO A 65 78.633 -6.478 1.895 1.00 0.19 N ATOM 1027 CA PRO A 65 79.496 -7.676 2.127 1.00 0.23 C ATOM 1028 C PRO A 65 79.528 -8.043 3.616 1.00 0.26 C ATOM 1029 O PRO A 65 79.694 -7.195 4.473 1.00 0.23 O ATOM 1030 CB PRO A 65 80.867 -7.210 1.640 1.00 0.26 C ATOM 1031 CG PRO A 65 80.816 -5.732 1.813 1.00 0.24 C ATOM 1032 CD PRO A 65 79.429 -5.339 1.400 1.00 0.21 C ATOM 0 HA PRO A 65 79.144 -8.571 1.614 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.673 -7.655 2.224 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.038 -7.486 0.600 1.00 0.26 H new ATOM 0 HG2 PRO A 65 81.015 -5.449 2.847 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.566 -5.237 1.197 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.119 -4.397 1.852 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.343 -5.218 0.320 1.00 0.21 H new ATOM 1040 N LYS A 66 79.368 -9.308 3.925 1.00 0.41 N ATOM 1041 CA LYS A 66 79.380 -9.757 5.359 1.00 0.51 C ATOM 1042 C LYS A 66 80.667 -9.312 6.058 1.00 0.44 C ATOM 1043 O LYS A 66 80.673 -9.017 7.239 1.00 0.42 O ATOM 1044 CB LYS A 66 79.306 -11.286 5.305 1.00 0.69 C ATOM 1045 CG LYS A 66 79.164 -11.841 6.725 1.00 0.96 C ATOM 1046 CD LYS A 66 79.146 -13.370 6.676 1.00 1.31 C ATOM 1047 CE LYS A 66 78.843 -13.922 8.070 1.00 1.89 C ATOM 1048 NZ LYS A 66 78.501 -15.355 7.850 1.00 2.62 N ATOM 0 H LYS A 66 79.229 -10.054 3.244 1.00 0.41 H new ATOM 0 HA LYS A 66 78.552 -9.326 5.921 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.459 -11.598 4.695 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.203 -11.688 4.834 1.00 0.69 H new ATOM 0 HG2 LYS A 66 79.991 -11.496 7.346 1.00 0.96 H new ATOM 0 HG3 LYS A 66 78.246 -11.470 7.182 1.00 0.96 H new ATOM 0 HD2 LYS A 66 78.393 -13.713 5.966 1.00 1.31 H new ATOM 0 HD3 LYS A 66 80.108 -13.745 6.326 1.00 1.31 H new ATOM 0 HE2 LYS A 66 79.703 -13.818 8.731 1.00 1.89 H new ATOM 0 HE3 LYS A 66 78.016 -13.386 8.536 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 78.280 -15.803 8.762 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 77.675 -15.422 7.222 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 79.309 -15.841 7.412 1.00 2.62 H new ATOM 1062 N ALA A 67 81.759 -9.284 5.334 1.00 0.43 N ATOM 1063 CA ALA A 67 83.068 -8.886 5.949 1.00 0.40 C ATOM 1064 C ALA A 67 82.973 -7.474 6.536 1.00 0.30 C ATOM 1065 O ALA A 67 83.503 -7.195 7.599 1.00 0.28 O ATOM 1066 CB ALA A 67 84.083 -8.919 4.802 1.00 0.45 C ATOM 0 H ALA A 67 81.802 -9.519 4.343 1.00 0.43 H new ATOM 0 HA ALA A 67 83.354 -9.552 6.763 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.067 -8.638 5.178 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.128 -9.925 4.385 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.778 -8.218 4.026 1.00 0.45 H new ATOM 1072 N LEU A 68 82.266 -6.598 5.867 1.00 0.27 N ATOM 1073 CA LEU A 68 82.097 -5.210 6.390 1.00 0.23 C ATOM 1074 C LEU A 68 81.069 -5.185 7.521 1.00 0.22 C ATOM 1075 O LEU A 68 81.197 -4.414 8.454 1.00 0.22 O ATOM 1076 CB LEU A 68 81.625 -4.364 5.201 1.00 0.28 C ATOM 1077 CG LEU A 68 82.759 -4.207 4.175 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.270 -3.355 3.002 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.964 -3.510 4.822 1.00 1.82 C ATOM 0 H LEU A 68 81.798 -6.786 4.980 1.00 0.27 H new ATOM 0 HA LEU A 68 83.028 -4.822 6.804 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.762 -4.835 4.730 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.302 -3.383 5.549 1.00 0.28 H new ATOM 0 HG LEU A 68 83.055 -5.196 3.824 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.073 -3.243 2.274 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.417 -3.842 2.529 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.971 -2.372 3.366 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.761 -3.404 4.086 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.666 -2.524 5.178 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.322 -4.106 5.661 1.00 1.82 H new ATOM 1091 N ARG A 69 80.064 -6.037 7.470 1.00 0.25 N ATOM 1092 CA ARG A 69 79.046 -6.066 8.576 1.00 0.28 C ATOM 1093 C ARG A 69 79.740 -6.337 9.914 1.00 0.25 C ATOM 1094 O ARG A 69 79.425 -5.735 10.924 1.00 0.26 O ATOM 1095 CB ARG A 69 78.118 -7.251 8.283 1.00 0.35 C ATOM 1096 CG ARG A 69 77.466 -7.148 6.903 1.00 0.46 C ATOM 1097 CD ARG A 69 76.389 -8.238 6.808 1.00 0.56 C ATOM 1098 NE ARG A 69 76.312 -8.620 5.361 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.867 -9.810 4.981 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.435 -10.704 5.844 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.841 -10.098 3.710 1.00 2.30 N ATOM 0 H ARG A 69 79.907 -6.707 6.717 1.00 0.25 H new ATOM 0 HA ARG A 69 78.511 -5.118 8.630 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.686 -8.179 8.346 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.342 -7.300 9.047 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.024 -6.162 6.762 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.211 -7.278 6.118 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.649 -9.098 7.425 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.428 -7.869 7.165 1.00 0.56 H new ATOM 0 HE ARG A 69 76.609 -7.949 4.652 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.435 -10.492 6.842 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.100 -11.610 5.515 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.160 -9.413 3.025 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.502 -11.009 3.400 1.00 2.30 H new ATOM 1115 N ASP A 70 80.620 -7.307 9.927 1.00 0.25 N ATOM 1116 CA ASP A 70 81.280 -7.716 11.205 1.00 0.25 C ATOM 1117 C ASP A 70 82.248 -6.634 11.677 1.00 0.22 C ATOM 1118 O ASP A 70 82.251 -6.262 12.835 1.00 0.22 O ATOM 1119 CB ASP A 70 82.039 -9.008 10.879 1.00 0.27 C ATOM 1120 CG ASP A 70 81.050 -10.108 10.477 1.00 0.91 C ATOM 1121 OD1 ASP A 70 79.924 -10.075 10.950 1.00 1.68 O ATOM 1122 OD2 ASP A 70 81.437 -10.965 9.700 1.00 1.56 O ATOM 0 H ASP A 70 80.911 -7.835 9.104 1.00 0.25 H new ATOM 0 HA ASP A 70 80.554 -7.863 12.005 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.747 -8.830 10.069 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.619 -9.327 11.745 1.00 0.27 H new ATOM 1127 N VAL A 71 83.075 -6.135 10.791 1.00 0.21 N ATOM 1128 CA VAL A 71 84.076 -5.092 11.195 1.00 0.21 C ATOM 1129 C VAL A 71 83.352 -3.853 11.735 1.00 0.21 C ATOM 1130 O VAL A 71 83.825 -3.195 12.644 1.00 0.22 O ATOM 1131 CB VAL A 71 84.848 -4.762 9.905 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.845 -3.626 10.154 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.608 -6.006 9.440 1.00 0.28 C ATOM 0 H VAL A 71 83.102 -6.402 9.807 1.00 0.21 H new ATOM 0 HA VAL A 71 84.743 -5.435 11.986 1.00 0.21 H new ATOM 0 HB VAL A 71 84.138 -4.448 9.140 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.383 -3.405 9.232 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.308 -2.736 10.483 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.555 -3.927 10.924 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.156 -5.777 8.526 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.308 -6.316 10.216 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.901 -6.813 9.246 1.00 0.28 H new ATOM 1143 N ILE A 72 82.247 -3.504 11.136 1.00 0.21 N ATOM 1144 CA ILE A 72 81.516 -2.266 11.550 1.00 0.22 C ATOM 1145 C ILE A 72 80.624 -2.539 12.777 1.00 0.22 C ATOM 1146 O ILE A 72 80.267 -1.623 13.494 1.00 0.23 O ATOM 1147 CB ILE A 72 80.670 -1.874 10.327 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.593 -1.626 9.127 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.886 -0.589 10.623 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.752 -1.387 7.872 1.00 0.28 C ATOM 0 H ILE A 72 81.814 -4.024 10.373 1.00 0.21 H new ATOM 0 HA ILE A 72 82.198 -1.468 11.844 1.00 0.22 H new ATOM 0 HB ILE A 72 79.974 -2.683 10.103 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.231 -0.763 9.319 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.251 -2.482 8.978 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.289 -0.318 9.752 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.228 -0.753 11.477 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.583 0.218 10.851 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.410 -1.211 7.021 1.00 0.28 H new ATOM 0 HD12 ILE A 72 80.133 -2.262 7.677 1.00 0.28 H new ATOM 0 HD13 ILE A 72 80.113 -0.517 8.022 1.00 0.28 H new ATOM 1162 N GLY A 73 80.327 -3.791 13.070 1.00 0.21 N ATOM 1163 CA GLY A 73 79.534 -4.106 14.300 1.00 0.21 C ATOM 1164 C GLY A 73 78.057 -3.781 14.060 1.00 0.20 C ATOM 1165 O GLY A 73 77.385 -3.257 14.930 1.00 0.22 O ATOM 0 H GLY A 73 80.600 -4.599 12.511 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.647 -5.159 14.557 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.911 -3.529 15.145 1.00 0.21 H new ATOM 1169 N ILE A 74 77.579 -3.990 12.856 1.00 0.20 N ATOM 1170 CA ILE A 74 76.176 -3.584 12.515 1.00 0.21 C ATOM 1171 C ILE A 74 75.205 -4.747 12.753 1.00 0.21 C ATOM 1172 O ILE A 74 75.523 -5.895 12.502 1.00 0.23 O ATOM 1173 CB ILE A 74 76.209 -3.203 11.029 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.257 -2.101 10.775 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.828 -2.698 10.602 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.946 -0.853 11.617 1.00 0.77 C ATOM 0 H ILE A 74 78.099 -4.424 12.094 1.00 0.20 H new ATOM 0 HA ILE A 74 75.833 -2.757 13.136 1.00 0.21 H new ATOM 0 HB ILE A 74 76.479 -4.085 10.448 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.251 -2.474 11.021 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.268 -1.839 9.717 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.850 -2.427 9.546 1.00 0.27 H new ATOM 0 HG22 ILE A 74 74.089 -3.483 10.760 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.561 -1.824 11.196 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.697 -0.087 11.423 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.961 -0.471 11.351 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.960 -1.115 12.675 1.00 0.77 H new ATOM 1188 N LYS A 75 74.050 -4.457 13.302 1.00 0.22 N ATOM 1189 CA LYS A 75 73.072 -5.538 13.645 1.00 0.24 C ATOM 1190 C LYS A 75 71.715 -5.277 12.960 1.00 0.24 C ATOM 1191 O LYS A 75 71.432 -4.161 12.565 1.00 0.23 O ATOM 1192 CB LYS A 75 72.910 -5.476 15.174 1.00 0.29 C ATOM 1193 CG LYS A 75 74.273 -5.600 15.873 1.00 1.19 C ATOM 1194 CD LYS A 75 74.927 -6.935 15.510 1.00 1.71 C ATOM 1195 CE LYS A 75 76.095 -7.209 16.460 1.00 2.52 C ATOM 1196 NZ LYS A 75 76.049 -8.677 16.713 1.00 3.21 N ATOM 0 H LYS A 75 73.741 -3.512 13.529 1.00 0.22 H new ATOM 0 HA LYS A 75 73.420 -6.515 13.309 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.436 -4.536 15.456 1.00 0.29 H new ATOM 0 HB3 LYS A 75 72.251 -6.278 15.507 1.00 0.29 H new ATOM 0 HG2 LYS A 75 74.920 -4.775 15.575 1.00 1.19 H new ATOM 0 HG3 LYS A 75 74.145 -5.530 16.953 1.00 1.19 H new ATOM 0 HD2 LYS A 75 74.195 -7.740 15.576 1.00 1.71 H new ATOM 0 HD3 LYS A 75 75.281 -6.910 14.480 1.00 1.71 H new ATOM 0 HE2 LYS A 75 77.045 -6.915 16.013 1.00 2.52 H new ATOM 0 HE3 LYS A 75 75.991 -6.645 17.387 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 76.821 -8.943 17.357 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 75.136 -8.926 17.145 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 76.158 -9.188 15.814 1.00 3.21 H new ATOM 1210 N PRO A 76 70.893 -6.309 12.852 1.00 0.25 N ATOM 1211 CA PRO A 76 69.558 -6.137 12.221 1.00 0.26 C ATOM 1212 C PRO A 76 68.720 -5.113 12.997 1.00 0.24 C ATOM 1213 O PRO A 76 68.625 -5.169 14.209 1.00 0.23 O ATOM 1214 CB PRO A 76 68.919 -7.526 12.294 1.00 0.29 C ATOM 1215 CG PRO A 76 69.733 -8.296 13.285 1.00 0.50 C ATOM 1216 CD PRO A 76 71.112 -7.698 13.292 1.00 0.28 C ATOM 0 HA PRO A 76 69.627 -5.765 11.199 1.00 0.26 H new ATOM 0 HB2 PRO A 76 67.878 -7.461 12.609 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.927 -8.012 11.319 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.285 -8.240 14.277 1.00 0.50 H new ATOM 0 HG3 PRO A 76 69.773 -9.351 13.013 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.560 -7.738 14.285 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.783 -8.231 12.618 1.00 0.28 H new ATOM 1224 N GLY A 77 68.063 -4.222 12.295 1.00 0.24 N ATOM 1225 CA GLY A 77 67.164 -3.233 12.967 1.00 0.24 C ATOM 1226 C GLY A 77 67.920 -1.934 13.303 1.00 0.22 C ATOM 1227 O GLY A 77 67.336 -1.003 13.829 1.00 0.24 O ATOM 0 H GLY A 77 68.111 -4.137 11.280 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.318 -3.007 12.318 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.758 -3.668 13.881 1.00 0.24 H new ATOM 1231 N GLU A 78 69.199 -1.846 12.990 1.00 0.20 N ATOM 1232 CA GLU A 78 69.963 -0.590 13.277 1.00 0.20 C ATOM 1233 C GLU A 78 70.034 0.286 12.032 1.00 0.18 C ATOM 1234 O GLU A 78 70.244 -0.203 10.937 1.00 0.18 O ATOM 1235 CB GLU A 78 71.358 -1.042 13.705 1.00 0.20 C ATOM 1236 CG GLU A 78 71.391 -1.192 15.229 1.00 0.22 C ATOM 1237 CD GLU A 78 72.820 -1.483 15.702 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.590 -2.021 14.922 1.00 1.07 O ATOM 1239 OE2 GLU A 78 73.120 -1.161 16.840 1.00 1.11 O ATOM 0 H GLU A 78 69.741 -2.590 12.550 1.00 0.20 H new ATOM 0 HA GLU A 78 69.484 0.006 14.053 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.609 -1.990 13.228 1.00 0.20 H new ATOM 0 HB3 GLU A 78 72.104 -0.316 13.382 1.00 0.20 H new ATOM 0 HG2 GLU A 78 71.023 -0.280 15.699 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.727 -2.000 15.537 1.00 0.22 H new ATOM 1246 N VAL A 79 69.756 1.557 12.182 1.00 0.19 N ATOM 1247 CA VAL A 79 69.672 2.456 10.992 1.00 0.18 C ATOM 1248 C VAL A 79 71.027 3.112 10.702 1.00 0.18 C ATOM 1249 O VAL A 79 71.652 3.692 11.571 1.00 0.19 O ATOM 1250 CB VAL A 79 68.615 3.507 11.364 1.00 0.20 C ATOM 1251 CG1 VAL A 79 69.064 4.311 12.599 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.402 4.454 10.176 1.00 0.21 C ATOM 0 H VAL A 79 69.583 2.011 13.079 1.00 0.19 H new ATOM 0 HA VAL A 79 69.403 1.912 10.086 1.00 0.18 H new ATOM 0 HB VAL A 79 67.680 3.001 11.603 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.303 5.051 12.848 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.203 3.635 13.443 1.00 0.24 H new ATOM 0 HG13 VAL A 79 70.005 4.817 12.381 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.652 5.201 10.436 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.341 4.951 9.934 1.00 0.21 H new ATOM 0 HG23 VAL A 79 68.061 3.883 9.312 1.00 0.21 H new ATOM 1262 N ILE A 80 71.436 3.076 9.464 1.00 0.17 N ATOM 1263 CA ILE A 80 72.699 3.746 9.048 1.00 0.17 C ATOM 1264 C ILE A 80 72.389 4.814 7.991 1.00 0.17 C ATOM 1265 O ILE A 80 71.414 4.713 7.268 1.00 0.17 O ATOM 1266 CB ILE A 80 73.581 2.630 8.460 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.877 1.985 7.261 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.845 1.566 9.527 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.815 0.980 6.589 1.00 0.18 C ATOM 0 H ILE A 80 70.939 2.602 8.710 1.00 0.17 H new ATOM 0 HA ILE A 80 73.199 4.247 9.877 1.00 0.17 H new ATOM 0 HB ILE A 80 74.527 3.061 8.133 1.00 0.17 H new ATOM 0 HG12 ILE A 80 71.966 1.484 7.589 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.579 2.752 6.547 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.470 0.777 9.108 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.356 2.021 10.376 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.898 1.141 9.859 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.310 0.524 5.737 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.713 1.494 6.246 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.091 0.205 7.304 1.00 0.18 H new ATOM 1281 N GLU A 81 73.278 5.752 7.825 1.00 0.18 N ATOM 1282 CA GLU A 81 73.133 6.751 6.731 1.00 0.18 C ATOM 1283 C GLU A 81 74.000 6.319 5.552 1.00 0.17 C ATOM 1284 O GLU A 81 75.111 5.854 5.735 1.00 0.19 O ATOM 1285 CB GLU A 81 73.640 8.065 7.329 1.00 0.20 C ATOM 1286 CG GLU A 81 73.458 9.196 6.316 1.00 0.21 C ATOM 1287 CD GLU A 81 74.030 10.492 6.896 1.00 0.23 C ATOM 1288 OE1 GLU A 81 75.106 10.437 7.466 1.00 1.14 O ATOM 1289 OE2 GLU A 81 73.377 11.514 6.768 1.00 1.04 O ATOM 0 H GLU A 81 74.107 5.870 8.407 1.00 0.18 H new ATOM 0 HA GLU A 81 72.110 6.849 6.369 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.095 8.293 8.245 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.692 7.971 7.599 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.963 8.948 5.382 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.401 9.324 6.083 1.00 0.21 H new ATOM 1296 N VAL A 82 73.427 6.294 4.377 1.00 0.16 N ATOM 1297 CA VAL A 82 74.130 5.691 3.208 1.00 0.17 C ATOM 1298 C VAL A 82 74.422 6.761 2.156 1.00 0.16 C ATOM 1299 O VAL A 82 73.551 7.516 1.763 1.00 0.17 O ATOM 1300 CB VAL A 82 73.153 4.636 2.671 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.747 3.955 1.439 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.903 3.579 3.750 1.00 0.19 C ATOM 0 H VAL A 82 72.499 6.667 4.177 1.00 0.16 H new ATOM 0 HA VAL A 82 75.092 5.254 3.475 1.00 0.17 H new ATOM 0 HB VAL A 82 72.216 5.124 2.401 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.048 3.208 1.064 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.932 4.700 0.665 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.686 3.471 1.708 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.209 2.829 3.371 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.846 3.100 4.016 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.476 4.054 4.633 1.00 0.19 H new ATOM 1312 N LEU A 83 75.644 6.817 1.702 1.00 0.16 N ATOM 1313 CA LEU A 83 76.034 7.824 0.667 1.00 0.17 C ATOM 1314 C LEU A 83 76.465 7.093 -0.607 1.00 0.15 C ATOM 1315 O LEU A 83 77.385 6.298 -0.569 1.00 0.12 O ATOM 1316 CB LEU A 83 77.254 8.577 1.239 1.00 0.21 C ATOM 1317 CG LEU A 83 77.012 9.036 2.684 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.261 9.748 3.203 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.820 9.987 2.727 1.00 0.20 C ATOM 0 H LEU A 83 76.399 6.202 2.006 1.00 0.16 H new ATOM 0 HA LEU A 83 75.210 8.498 0.433 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.130 7.929 1.205 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.473 9.443 0.614 1.00 0.21 H new ATOM 0 HG LEU A 83 76.800 8.171 3.312 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.093 10.076 4.229 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.108 9.063 3.175 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.473 10.614 2.576 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.650 10.311 3.754 1.00 0.20 H new ATOM 0 HD22 LEU A 83 76.025 10.856 2.101 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.932 9.474 2.357 1.00 0.20 H new ATOM 1331 N LEU A 84 75.931 7.463 -1.746 1.00 0.16 N ATOM 1332 CA LEU A 84 76.457 6.904 -3.033 1.00 0.15 C ATOM 1333 C LEU A 84 77.730 7.650 -3.437 1.00 0.15 C ATOM 1334 O LEU A 84 77.878 8.824 -3.156 1.00 0.17 O ATOM 1335 CB LEU A 84 75.347 7.117 -4.058 1.00 0.18 C ATOM 1336 CG LEU A 84 74.365 5.944 -3.987 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.960 6.401 -4.418 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.861 4.828 -4.913 1.00 0.28 C ATOM 0 H LEU A 84 75.159 8.123 -1.841 1.00 0.16 H new ATOM 0 HA LEU A 84 76.717 5.849 -2.952 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.827 8.054 -3.860 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.770 7.193 -5.060 1.00 0.18 H new ATOM 0 HG LEU A 84 74.308 5.576 -2.963 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.271 5.558 -4.363 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.616 7.195 -3.755 1.00 0.20 H new ATOM 0 HD13 LEU A 84 72.997 6.774 -5.442 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.170 3.986 -4.871 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.917 5.201 -5.936 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.850 4.501 -4.592 1.00 0.28 H new ATOM 1350 N LEU A 85 78.690 6.948 -3.988 1.00 0.14 N ATOM 1351 CA LEU A 85 80.009 7.580 -4.290 1.00 0.17 C ATOM 1352 C LEU A 85 80.319 7.525 -5.790 1.00 0.18 C ATOM 1353 O LEU A 85 81.101 8.317 -6.287 1.00 0.24 O ATOM 1354 CB LEU A 85 81.027 6.759 -3.496 1.00 0.22 C ATOM 1355 CG LEU A 85 81.020 7.216 -2.036 1.00 0.89 C ATOM 1356 CD1 LEU A 85 81.922 6.299 -1.209 1.00 1.13 C ATOM 1357 CD2 LEU A 85 81.540 8.655 -1.948 1.00 1.60 C ATOM 0 H LEU A 85 78.615 5.963 -4.242 1.00 0.14 H new ATOM 0 HA LEU A 85 80.025 8.635 -4.017 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.783 5.698 -3.558 1.00 0.22 H new ATOM 0 HB3 LEU A 85 82.022 6.882 -3.923 1.00 0.22 H new ATOM 0 HG LEU A 85 80.002 7.172 -1.648 1.00 0.89 H new ATOM 0 HD11 LEU A 85 81.917 6.625 -0.169 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.554 5.275 -1.270 1.00 1.13 H new ATOM 0 HD13 LEU A 85 82.939 6.343 -1.598 1.00 1.13 H new ATOM 0 HD21 LEU A 85 81.535 8.981 -0.908 1.00 1.60 H new ATOM 0 HD22 LEU A 85 82.557 8.699 -2.337 1.00 1.60 H new ATOM 0 HD23 LEU A 85 80.898 9.310 -2.536 1.00 1.60 H new ATOM 1369 N GLY A 86 79.762 6.569 -6.503 1.00 0.16 N ATOM 1370 CA GLY A 86 80.093 6.442 -7.964 1.00 0.20 C ATOM 1371 C GLY A 86 79.124 5.487 -8.668 1.00 0.17 C ATOM 1372 O GLY A 86 78.207 4.964 -8.067 1.00 0.15 O ATOM 0 H GLY A 86 79.102 5.880 -6.143 1.00 0.16 H new ATOM 0 HA2 GLY A 86 80.049 7.423 -8.437 1.00 0.20 H new ATOM 0 HA3 GLY A 86 81.114 6.078 -8.078 1.00 0.20 H new ATOM 1376 N HIS A 87 79.317 5.277 -9.952 1.00 0.20 N ATOM 1377 CA HIS A 87 78.400 4.381 -10.729 1.00 0.19 C ATOM 1378 C HIS A 87 79.173 3.648 -11.839 1.00 0.19 C ATOM 1379 O HIS A 87 80.137 4.164 -12.374 1.00 0.24 O ATOM 1380 CB HIS A 87 77.339 5.316 -11.335 1.00 0.28 C ATOM 1381 CG HIS A 87 77.991 6.351 -12.220 1.00 0.76 C ATOM 1382 ND1 HIS A 87 78.248 6.119 -13.562 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.441 7.622 -11.966 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.828 7.226 -14.060 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.969 8.173 -13.130 1.00 1.89 N ATOM 0 H HIS A 87 80.074 5.690 -10.496 1.00 0.20 H new ATOM 0 HA HIS A 87 77.952 3.612 -10.099 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.621 4.735 -11.913 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.782 5.809 -10.538 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.393 8.119 -11.009 1.00 1.72 H new ATOM 0 HE1 HIS A 87 79.142 7.335 -15.088 1.00 1.57 H new ATOM 0 HE2 HIS A 87 79.376 9.101 -13.247 1.00 1.89 H new ATOM 1393 N TYR A 88 78.708 2.483 -12.235 1.00 0.16 N ATOM 1394 CA TYR A 88 79.356 1.752 -13.366 1.00 0.19 C ATOM 1395 C TYR A 88 78.290 1.119 -14.265 1.00 0.21 C ATOM 1396 O TYR A 88 77.269 0.650 -13.793 1.00 0.17 O ATOM 1397 CB TYR A 88 80.214 0.673 -12.704 1.00 0.21 C ATOM 1398 CG TYR A 88 81.335 1.327 -11.931 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.517 1.765 -12.618 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.218 1.513 -10.513 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.583 2.387 -11.886 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.284 2.136 -9.782 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.467 2.572 -10.468 1.00 0.65 C ATOM 1404 OH TYR A 88 84.492 3.172 -9.764 1.00 0.80 O ATOM 0 H TYR A 88 77.906 2.009 -11.820 1.00 0.16 H new ATOM 0 HA TYR A 88 79.952 2.412 -13.997 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.603 0.066 -12.036 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.622 0.002 -13.460 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.604 1.626 -13.686 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.328 1.184 -9.996 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.473 2.716 -12.402 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.196 2.277 -8.715 1.00 0.70 H new ATOM 0 HH TYR A 88 84.175 3.417 -8.870 1.00 0.80 H new ATOM 1414 N LYS A 89 78.531 1.084 -15.553 1.00 0.29 N ATOM 1415 CA LYS A 89 77.550 0.462 -16.492 1.00 0.33 C ATOM 1416 C LYS A 89 78.157 -0.795 -17.142 1.00 0.52 C ATOM 1417 O LYS A 89 79.363 -0.903 -17.241 1.00 0.94 O ATOM 1418 CB LYS A 89 77.278 1.533 -17.548 1.00 0.48 C ATOM 1419 CG LYS A 89 76.320 2.581 -16.978 1.00 1.38 C ATOM 1420 CD LYS A 89 76.228 3.768 -17.940 1.00 1.82 C ATOM 1421 CE LYS A 89 74.882 4.470 -17.757 1.00 2.32 C ATOM 1422 NZ LYS A 89 73.932 3.714 -18.619 1.00 2.99 N ATOM 0 H LYS A 89 79.369 1.462 -15.995 1.00 0.29 H new ATOM 0 HA LYS A 89 76.637 0.148 -15.986 1.00 0.33 H new ATOM 0 HB2 LYS A 89 78.212 2.006 -17.851 1.00 0.48 H new ATOM 0 HB3 LYS A 89 76.847 1.078 -18.440 1.00 0.48 H new ATOM 0 HG2 LYS A 89 75.333 2.143 -16.829 1.00 1.38 H new ATOM 0 HG3 LYS A 89 76.671 2.917 -16.002 1.00 1.38 H new ATOM 0 HD2 LYS A 89 77.043 4.467 -17.751 1.00 1.82 H new ATOM 0 HD3 LYS A 89 76.334 3.425 -18.969 1.00 1.82 H new ATOM 0 HE2 LYS A 89 74.567 4.453 -16.714 1.00 2.32 H new ATOM 0 HE3 LYS A 89 74.939 5.517 -18.056 1.00 2.32 H new ATOM 0 HZ1 LYS A 89 72.956 3.924 -18.327 1.00 2.99 H new ATOM 0 HZ2 LYS A 89 74.065 3.995 -19.612 1.00 2.99 H new ATOM 0 HZ3 LYS A 89 74.110 2.694 -18.521 1.00 2.99 H new ATOM 1436 N PRO A 90 77.308 -1.714 -17.571 1.00 0.71 N ATOM 1437 CA PRO A 90 77.805 -2.971 -18.216 1.00 0.93 C ATOM 1438 C PRO A 90 78.704 -2.651 -19.417 1.00 0.85 C ATOM 1439 O PRO A 90 78.445 -1.726 -20.166 1.00 1.30 O ATOM 1440 CB PRO A 90 76.515 -3.651 -18.672 1.00 1.39 C ATOM 1441 CG PRO A 90 75.493 -3.148 -17.713 1.00 1.68 C ATOM 1442 CD PRO A 90 75.832 -1.703 -17.504 1.00 1.19 C ATOM 0 HA PRO A 90 78.409 -3.588 -17.550 1.00 0.93 H new ATOM 0 HB2 PRO A 90 76.265 -3.387 -19.699 1.00 1.39 H new ATOM 0 HB3 PRO A 90 76.600 -4.737 -18.634 1.00 1.39 H new ATOM 0 HG2 PRO A 90 74.486 -3.263 -18.114 1.00 1.68 H new ATOM 0 HG3 PRO A 90 75.527 -3.701 -16.774 1.00 1.68 H new ATOM 0 HD2 PRO A 90 75.395 -1.067 -18.274 1.00 1.19 H new ATOM 0 HD3 PRO A 90 75.471 -1.335 -16.543 1.00 1.19 H new ATOM 1450 N ARG A 91 79.744 -3.424 -19.610 1.00 1.61 N ATOM 1451 CA ARG A 91 80.657 -3.192 -20.770 1.00 1.99 C ATOM 1452 C ARG A 91 81.009 -4.522 -21.449 1.00 2.65 C ATOM 1453 O ARG A 91 80.916 -5.576 -20.850 1.00 3.38 O ATOM 1454 CB ARG A 91 81.904 -2.526 -20.171 1.00 3.06 C ATOM 1455 CG ARG A 91 82.551 -3.452 -19.132 1.00 3.64 C ATOM 1456 CD ARG A 91 83.642 -2.690 -18.377 1.00 4.74 C ATOM 1457 NE ARG A 91 84.282 -3.710 -17.489 1.00 5.48 N ATOM 1458 CZ ARG A 91 83.718 -4.100 -16.358 1.00 6.33 C ATOM 1459 NH1 ARG A 91 82.563 -3.618 -15.951 1.00 6.87 N ATOM 1460 NH2 ARG A 91 84.325 -4.992 -15.624 1.00 6.83 N ATOM 0 H ARG A 91 80.000 -4.209 -19.011 1.00 1.61 H new ATOM 0 HA ARG A 91 80.200 -2.568 -21.538 1.00 1.99 H new ATOM 0 HB2 ARG A 91 82.619 -2.298 -20.962 1.00 3.06 H new ATOM 0 HB3 ARG A 91 81.631 -1.579 -19.705 1.00 3.06 H new ATOM 0 HG2 ARG A 91 81.797 -3.815 -18.434 1.00 3.64 H new ATOM 0 HG3 ARG A 91 82.977 -4.326 -19.624 1.00 3.64 H new ATOM 0 HD2 ARG A 91 84.367 -2.254 -19.064 1.00 4.74 H new ATOM 0 HD3 ARG A 91 83.221 -1.870 -17.796 1.00 4.74 H new ATOM 0 HE ARG A 91 85.177 -4.115 -17.763 1.00 5.48 H new ATOM 0 HH11 ARG A 91 82.074 -2.921 -16.513 1.00 6.87 H new ATOM 0 HH12 ARG A 91 82.156 -3.941 -15.073 1.00 6.87 H new ATOM 0 HH21 ARG A 91 85.220 -5.377 -15.925 1.00 6.83 H new ATOM 0 HH22 ARG A 91 83.904 -5.304 -14.749 1.00 6.83 H new ATOM 1474 N ASN A 92 81.419 -4.476 -22.697 1.00 3.10 N ATOM 1475 CA ASN A 92 81.790 -5.729 -23.439 1.00 4.24 C ATOM 1476 C ASN A 92 80.660 -6.765 -23.369 1.00 4.85 C ATOM 1477 O ASN A 92 79.578 -6.404 -22.935 1.00 5.20 O ATOM 1478 CB ASN A 92 83.050 -6.261 -22.746 1.00 4.82 C ATOM 1479 CG ASN A 92 84.194 -5.256 -22.909 1.00 5.68 C ATOM 1480 OD1 ASN A 92 84.174 -4.431 -23.800 1.00 5.95 O ATOM 1481 ND2 ASN A 92 85.199 -5.291 -22.076 1.00 6.47 N ATOM 1482 OXT ASN A 92 80.898 -7.900 -23.752 1.00 5.35 O ATOM 0 H ASN A 92 81.514 -3.617 -23.239 1.00 3.10 H new ATOM 0 HA ASN A 92 81.962 -5.528 -24.496 1.00 4.24 H new ATOM 0 HB2 ASN A 92 82.850 -6.430 -21.688 1.00 4.82 H new ATOM 0 HB3 ASN A 92 83.334 -7.222 -23.175 1.00 4.82 H new ATOM 0 HD21 ASN A 92 85.966 -4.626 -22.174 1.00 6.47 H new ATOM 0 HD22 ASN A 92 85.217 -5.983 -21.327 1.00 6.47 H new TER 1489 ASN A 92