USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 477 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 67 THR OG1 : rot -65:sc= 1.23 USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= 1.04 F(o=-0.53,f=2.3) USER MOD Set 2.1: A 34 HIS : no HD1:sc= -2.71 X(o=-3.9,f=-3.8) USER MOD Set 2.2: A 35 THR OG1 : rot -170:sc= -1.21 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 50:sc= 0.857 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00116 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0853) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.0687 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -97:sc= 0.296 USER MOD Single : A 63 MET CE :methyl 154:sc= -0.0757 (180deg=-0.805) USER MOD Single : A 65 MET CE :methyl -152:sc= -1.62 (180deg=-4.56!) USER MOD Single : A 69 MET CE :methyl 153:sc= -0.0623 (180deg=-0.792) USER MOD Single : A 71 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.5!) USER MOD Single : A 72 ASN : amide:sc= -0.0204 K(o=-0.02,f=-1.7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N CYS A 28 11.189 2.878 -0.594 1.00 0.00 N ATOM 42 CA CYS A 28 12.605 3.015 -0.277 1.00 0.00 C ATOM 43 C CYS A 28 12.800 3.176 1.227 1.00 0.00 C ATOM 44 O CYS A 28 12.062 3.908 1.885 1.00 0.00 O ATOM 45 CB CYS A 28 13.193 4.225 -1.003 1.00 0.00 C ATOM 46 SG CYS A 28 13.039 3.990 -2.791 1.00 0.00 S ATOM 0 HA CYS A 28 13.121 2.113 -0.607 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.673 5.133 -0.699 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.241 4.352 -0.731 1.00 0.00 H new ATOM 0 HG CYS A 28 13.537 5.020 -3.409 1.00 0.00 H new ATOM 52 N GLY A 29 13.795 2.479 1.761 1.00 0.00 N ATOM 53 CA GLY A 29 14.082 2.542 3.191 1.00 0.00 C ATOM 54 C GLY A 29 15.330 1.733 3.537 1.00 0.00 C ATOM 55 O GLY A 29 16.247 1.605 2.723 1.00 0.00 O ATOM 0 H GLY A 29 14.414 1.867 1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.223 3.580 3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.230 2.160 3.753 1.00 0.00 H new ATOM 59 N ARG A 30 15.362 1.194 4.752 1.00 0.00 N ATOM 60 CA ARG A 30 16.504 0.404 5.197 1.00 0.00 C ATOM 61 C ARG A 30 16.129 -1.070 5.291 1.00 0.00 C ATOM 62 O ARG A 30 15.048 -1.418 5.759 1.00 0.00 O ATOM 63 CB ARG A 30 16.984 0.896 6.563 1.00 0.00 C ATOM 64 CG ARG A 30 18.233 1.760 6.392 1.00 0.00 C ATOM 65 CD ARG A 30 17.861 3.078 5.717 1.00 0.00 C ATOM 66 NE ARG A 30 18.773 4.132 6.144 1.00 0.00 N ATOM 67 CZ ARG A 30 20.017 4.213 5.673 1.00 0.00 C ATOM 68 NH1 ARG A 30 20.463 3.337 4.805 1.00 0.00 N ATOM 69 NH2 ARG A 30 20.802 5.172 6.081 1.00 0.00 N ATOM 0 H ARG A 30 14.616 1.289 5.441 1.00 0.00 H new ATOM 0 HA ARG A 30 17.306 0.520 4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.197 1.471 7.050 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.204 0.046 7.209 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.688 1.954 7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.974 1.230 5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 30 17.904 2.966 4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 30 16.836 3.349 5.969 1.00 0.00 H new ATOM 0 HE ARG A 30 18.451 4.825 6.820 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.856 2.583 4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 30 21.417 3.409 4.452 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.463 5.856 6.758 1.00 0.00 H new ATOM 0 HH22 ARG A 30 21.755 5.238 5.723 1.00 0.00 H new ATOM 83 N ALA A 31 17.031 -1.935 4.841 1.00 0.00 N ATOM 84 CA ALA A 31 16.784 -3.372 4.875 1.00 0.00 C ATOM 85 C ALA A 31 17.614 -4.024 5.980 1.00 0.00 C ATOM 86 O ALA A 31 18.842 -4.032 5.924 1.00 0.00 O ATOM 87 CB ALA A 31 17.134 -3.995 3.511 1.00 0.00 C ATOM 0 H ALA A 31 17.935 -1.669 4.450 1.00 0.00 H new ATOM 0 HA ALA A 31 15.728 -3.545 5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.947 -5.068 3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.517 -3.542 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.186 -3.816 3.288 1.00 0.00 H new ATOM 93 N ARG A 32 16.936 -4.570 6.978 1.00 0.00 N ATOM 94 CA ARG A 32 17.625 -5.218 8.082 1.00 0.00 C ATOM 95 C ARG A 32 17.692 -6.721 7.850 1.00 0.00 C ATOM 96 O ARG A 32 16.665 -7.383 7.719 1.00 0.00 O ATOM 97 CB ARG A 32 16.893 -4.924 9.389 1.00 0.00 C ATOM 98 CG ARG A 32 17.787 -5.302 10.565 1.00 0.00 C ATOM 99 CD ARG A 32 17.230 -4.671 11.838 1.00 0.00 C ATOM 100 NE ARG A 32 15.993 -5.327 12.244 1.00 0.00 N ATOM 101 CZ ARG A 32 15.305 -4.912 13.308 1.00 0.00 C ATOM 102 NH1 ARG A 32 15.723 -3.895 14.023 1.00 0.00 N ATOM 103 NH2 ARG A 32 14.203 -5.524 13.643 1.00 0.00 N ATOM 0 H ARG A 32 15.918 -4.577 7.046 1.00 0.00 H new ATOM 0 HA ARG A 32 18.641 -4.828 8.144 1.00 0.00 H new ATOM 0 HB2 ARG A 32 16.631 -3.867 9.442 1.00 0.00 H new ATOM 0 HB3 ARG A 32 15.960 -5.487 9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 32 17.831 -6.386 10.671 1.00 0.00 H new ATOM 0 HG3 ARG A 32 18.806 -4.957 10.389 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.966 -4.746 12.638 1.00 0.00 H new ATOM 0 HD3 ARG A 32 17.046 -3.609 11.672 1.00 0.00 H new ATOM 0 HE ARG A 32 15.647 -6.119 11.703 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.584 -3.411 13.767 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.187 -3.588 14.835 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.872 -6.316 13.092 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.673 -5.211 14.456 1.00 0.00 H new ATOM 117 N VAL A 33 18.906 -7.254 7.794 1.00 0.00 N ATOM 118 CA VAL A 33 19.089 -8.682 7.565 1.00 0.00 C ATOM 119 C VAL A 33 18.782 -9.470 8.835 1.00 0.00 C ATOM 120 O VAL A 33 19.369 -9.225 9.889 1.00 0.00 O ATOM 121 CB VAL A 33 20.531 -8.957 7.129 1.00 0.00 C ATOM 122 CG1 VAL A 33 20.734 -10.462 6.940 1.00 0.00 C ATOM 123 CG2 VAL A 33 20.810 -8.237 5.808 1.00 0.00 C ATOM 0 H VAL A 33 19.771 -6.725 7.903 1.00 0.00 H new ATOM 0 HA VAL A 33 18.403 -8.998 6.779 1.00 0.00 H new ATOM 0 HB VAL A 33 21.215 -8.593 7.896 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.761 -10.654 6.630 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.536 -10.977 7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.049 -10.828 6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.836 -8.432 5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.124 -8.601 5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.669 -7.164 5.941 1.00 0.00 H new ATOM 133 N HIS A 34 17.862 -10.422 8.723 1.00 0.00 N ATOM 134 CA HIS A 34 17.488 -11.250 9.862 1.00 0.00 C ATOM 135 C HIS A 34 17.959 -12.690 9.656 1.00 0.00 C ATOM 136 O HIS A 34 18.009 -13.474 10.602 1.00 0.00 O ATOM 137 CB HIS A 34 15.969 -11.223 10.052 1.00 0.00 C ATOM 138 CG HIS A 34 15.328 -12.256 9.168 1.00 0.00 C ATOM 139 ND1 HIS A 34 14.557 -13.289 9.677 1.00 0.00 N ATOM 140 CD2 HIS A 34 15.333 -12.429 7.807 1.00 0.00 C ATOM 141 CE1 HIS A 34 14.134 -14.030 8.637 1.00 0.00 C ATOM 142 NE2 HIS A 34 14.579 -13.549 7.473 1.00 0.00 N ATOM 0 H HIS A 34 17.364 -10.638 7.859 1.00 0.00 H new ATOM 0 HA HIS A 34 17.969 -10.849 10.754 1.00 0.00 H new ATOM 0 HB2 HIS A 34 15.720 -11.418 11.095 1.00 0.00 H new ATOM 0 HB3 HIS A 34 15.581 -10.233 9.812 1.00 0.00 H new ATOM 0 HD2 HIS A 34 15.845 -11.792 7.101 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.511 -14.907 8.732 1.00 0.00 H new ATOM 0 HE2 HIS A 34 14.404 -13.923 6.540 1.00 0.00 H new ATOM 150 N THR A 35 18.306 -13.030 8.414 1.00 0.00 N ATOM 151 CA THR A 35 18.778 -14.373 8.103 1.00 0.00 C ATOM 152 C THR A 35 20.052 -14.320 7.268 1.00 0.00 C ATOM 153 O THR A 35 20.153 -13.542 6.320 1.00 0.00 O ATOM 154 CB THR A 35 17.697 -15.147 7.351 1.00 0.00 C ATOM 155 OG1 THR A 35 16.576 -15.333 8.200 1.00 0.00 O ATOM 156 CG2 THR A 35 18.240 -16.499 6.901 1.00 0.00 C ATOM 0 H THR A 35 18.268 -12.397 7.615 1.00 0.00 H new ATOM 0 HA THR A 35 19.000 -14.883 9.040 1.00 0.00 H new ATOM 0 HB THR A 35 17.394 -14.581 6.470 1.00 0.00 H new ATOM 0 HG1 THR A 35 15.949 -15.959 7.782 1.00 0.00 H new ATOM 0 HG21 THR A 35 17.462 -17.044 6.366 1.00 0.00 H new ATOM 0 HG22 THR A 35 19.095 -16.347 6.242 1.00 0.00 H new ATOM 0 HG23 THR A 35 18.551 -17.074 7.773 1.00 0.00 H new ATOM 164 N ASP A 36 21.026 -15.147 7.624 1.00 0.00 N ATOM 165 CA ASP A 36 22.285 -15.176 6.888 1.00 0.00 C ATOM 166 C ASP A 36 22.056 -15.649 5.458 1.00 0.00 C ATOM 167 O ASP A 36 21.362 -16.638 5.225 1.00 0.00 O ATOM 168 CB ASP A 36 23.270 -16.113 7.588 1.00 0.00 C ATOM 169 CG ASP A 36 23.768 -15.476 8.881 1.00 0.00 C ATOM 170 OD1 ASP A 36 23.552 -14.287 9.052 1.00 0.00 O ATOM 171 OD2 ASP A 36 24.356 -16.185 9.679 1.00 0.00 O ATOM 0 H ASP A 36 20.972 -15.799 8.407 1.00 0.00 H new ATOM 0 HA ASP A 36 22.697 -14.167 6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 36 22.787 -17.066 7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.112 -16.326 6.930 1.00 0.00 H new ATOM 176 N PHE A 37 22.649 -14.941 4.506 1.00 0.00 N ATOM 177 CA PHE A 37 22.510 -15.302 3.100 1.00 0.00 C ATOM 178 C PHE A 37 23.876 -15.583 2.490 1.00 0.00 C ATOM 179 O PHE A 37 24.831 -14.839 2.717 1.00 0.00 O ATOM 180 CB PHE A 37 21.807 -14.179 2.327 1.00 0.00 C ATOM 181 CG PHE A 37 21.619 -14.594 0.886 1.00 0.00 C ATOM 182 CD1 PHE A 37 21.060 -15.843 0.588 1.00 0.00 C ATOM 183 CD2 PHE A 37 21.988 -13.729 -0.152 1.00 0.00 C ATOM 184 CE1 PHE A 37 20.881 -16.232 -0.743 1.00 0.00 C ATOM 185 CE2 PHE A 37 21.808 -14.118 -1.484 1.00 0.00 C ATOM 186 CZ PHE A 37 21.253 -15.368 -1.779 1.00 0.00 C ATOM 0 H PHE A 37 23.227 -14.119 4.679 1.00 0.00 H new ATOM 0 HA PHE A 37 21.903 -16.205 3.032 1.00 0.00 H new ATOM 0 HB2 PHE A 37 20.841 -13.961 2.782 1.00 0.00 H new ATOM 0 HB3 PHE A 37 22.397 -13.264 2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 37 20.767 -16.507 1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 37 22.411 -12.762 0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 37 20.456 -17.198 -0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 37 22.098 -13.453 -2.284 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.112 -15.666 -2.807 1.00 0.00 H new ATOM 196 N THR A 38 23.980 -16.659 1.711 1.00 0.00 N ATOM 197 CA THR A 38 25.243 -17.004 1.078 1.00 0.00 C ATOM 198 C THR A 38 25.015 -17.392 -0.388 1.00 0.00 C ATOM 199 O THR A 38 24.771 -18.562 -0.690 1.00 0.00 O ATOM 200 CB THR A 38 25.891 -18.169 1.822 1.00 0.00 C ATOM 201 OG1 THR A 38 24.990 -19.266 1.862 1.00 0.00 O ATOM 202 CG2 THR A 38 26.229 -17.721 3.242 1.00 0.00 C ATOM 0 H THR A 38 23.211 -17.298 1.507 1.00 0.00 H new ATOM 0 HA THR A 38 25.903 -16.137 1.115 1.00 0.00 H new ATOM 0 HB THR A 38 26.802 -18.478 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 38 24.645 -19.439 0.961 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.693 -18.546 3.783 1.00 0.00 H new ATOM 0 HG22 THR A 38 26.920 -16.879 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 38 25.316 -17.418 3.755 1.00 0.00 H new ATOM 210 N PRO A 39 25.082 -16.446 -1.297 1.00 0.00 N ATOM 211 CA PRO A 39 24.871 -16.710 -2.753 1.00 0.00 C ATOM 212 C PRO A 39 26.010 -17.514 -3.365 1.00 0.00 C ATOM 213 O PRO A 39 27.152 -17.436 -2.914 1.00 0.00 O ATOM 214 CB PRO A 39 24.792 -15.310 -3.365 1.00 0.00 C ATOM 215 CG PRO A 39 25.538 -14.428 -2.424 1.00 0.00 C ATOM 216 CD PRO A 39 25.361 -15.026 -1.038 1.00 0.00 C ATOM 0 HA PRO A 39 23.980 -17.310 -2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 39 25.237 -15.290 -4.360 1.00 0.00 H new ATOM 0 HB3 PRO A 39 23.757 -14.985 -3.472 1.00 0.00 H new ATOM 0 HG2 PRO A 39 26.593 -14.378 -2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 39 25.152 -13.409 -2.459 1.00 0.00 H new ATOM 0 HD2 PRO A 39 26.258 -14.899 -0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 39 24.542 -14.550 -0.499 1.00 0.00 H new ATOM 224 N SER A 40 25.688 -18.291 -4.390 1.00 0.00 N ATOM 225 CA SER A 40 26.690 -19.111 -5.052 1.00 0.00 C ATOM 226 C SER A 40 27.625 -18.243 -5.898 1.00 0.00 C ATOM 227 O SER A 40 27.267 -17.131 -6.284 1.00 0.00 O ATOM 228 CB SER A 40 26.018 -20.155 -5.942 1.00 0.00 C ATOM 229 OG SER A 40 25.292 -21.066 -5.129 1.00 0.00 O ATOM 0 H SER A 40 24.748 -18.370 -4.778 1.00 0.00 H new ATOM 0 HA SER A 40 27.275 -19.616 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 40 25.348 -19.669 -6.651 1.00 0.00 H new ATOM 0 HB3 SER A 40 26.768 -20.689 -6.526 1.00 0.00 H new ATOM 0 HG SER A 40 24.858 -21.737 -5.697 1.00 0.00 H new ATOM 235 N PRO A 41 28.805 -18.727 -6.191 1.00 0.00 N ATOM 236 CA PRO A 41 29.805 -17.982 -7.018 1.00 0.00 C ATOM 237 C PRO A 41 29.224 -17.533 -8.355 1.00 0.00 C ATOM 238 O PRO A 41 29.716 -16.585 -8.971 1.00 0.00 O ATOM 239 CB PRO A 41 30.924 -19.000 -7.239 1.00 0.00 C ATOM 240 CG PRO A 41 30.802 -19.969 -6.118 1.00 0.00 C ATOM 241 CD PRO A 41 29.324 -20.038 -5.766 1.00 0.00 C ATOM 0 HA PRO A 41 30.138 -17.068 -6.526 1.00 0.00 H new ATOM 0 HB2 PRO A 41 30.817 -19.498 -8.203 1.00 0.00 H new ATOM 0 HB3 PRO A 41 31.901 -18.517 -7.236 1.00 0.00 H new ATOM 0 HG2 PRO A 41 31.177 -20.950 -6.410 1.00 0.00 H new ATOM 0 HG3 PRO A 41 31.391 -19.645 -5.260 1.00 0.00 H new ATOM 0 HD2 PRO A 41 28.825 -20.855 -6.288 1.00 0.00 H new ATOM 0 HD3 PRO A 41 29.173 -20.202 -4.699 1.00 0.00 H new ATOM 249 N TYR A 42 28.178 -18.219 -8.802 1.00 0.00 N ATOM 250 CA TYR A 42 27.541 -17.884 -10.071 1.00 0.00 C ATOM 251 C TYR A 42 27.018 -16.451 -10.036 1.00 0.00 C ATOM 252 O TYR A 42 26.834 -15.823 -11.078 1.00 0.00 O ATOM 253 CB TYR A 42 26.377 -18.842 -10.340 1.00 0.00 C ATOM 254 CG TYR A 42 26.908 -20.243 -10.513 1.00 0.00 C ATOM 255 CD1 TYR A 42 27.002 -21.094 -9.406 1.00 0.00 C ATOM 256 CD2 TYR A 42 27.308 -20.692 -11.777 1.00 0.00 C ATOM 257 CE1 TYR A 42 27.497 -22.393 -9.561 1.00 0.00 C ATOM 258 CE2 TYR A 42 27.803 -21.993 -11.933 1.00 0.00 C ATOM 259 CZ TYR A 42 27.898 -22.844 -10.824 1.00 0.00 C ATOM 260 OH TYR A 42 28.386 -24.125 -10.978 1.00 0.00 O ATOM 0 H TYR A 42 27.755 -19.005 -8.309 1.00 0.00 H new ATOM 0 HA TYR A 42 28.280 -17.977 -10.867 1.00 0.00 H new ATOM 0 HB2 TYR A 42 25.667 -18.810 -9.513 1.00 0.00 H new ATOM 0 HB3 TYR A 42 25.837 -18.533 -11.235 1.00 0.00 H new ATOM 0 HD1 TYR A 42 26.692 -20.747 -8.431 1.00 0.00 H new ATOM 0 HD2 TYR A 42 27.235 -20.036 -12.632 1.00 0.00 H new ATOM 0 HE1 TYR A 42 27.570 -23.048 -8.706 1.00 0.00 H new ATOM 0 HE2 TYR A 42 28.111 -22.340 -12.908 1.00 0.00 H new ATOM 0 HH TYR A 42 28.617 -24.276 -11.918 1.00 0.00 H new ATOM 270 N ASP A 43 26.779 -15.940 -8.832 1.00 0.00 N ATOM 271 CA ASP A 43 26.277 -14.576 -8.679 1.00 0.00 C ATOM 272 C ASP A 43 27.323 -13.569 -9.152 1.00 0.00 C ATOM 273 O ASP A 43 28.466 -13.586 -8.695 1.00 0.00 O ATOM 274 CB ASP A 43 25.933 -14.307 -7.212 1.00 0.00 C ATOM 275 CG ASP A 43 25.249 -12.950 -7.076 1.00 0.00 C ATOM 276 OD1 ASP A 43 25.206 -12.228 -8.059 1.00 0.00 O ATOM 277 OD2 ASP A 43 24.780 -12.653 -5.991 1.00 0.00 O ATOM 0 H ASP A 43 26.922 -16.442 -7.956 1.00 0.00 H new ATOM 0 HA ASP A 43 25.379 -14.466 -9.287 1.00 0.00 H new ATOM 0 HB2 ASP A 43 25.279 -15.093 -6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 43 26.840 -14.328 -6.608 1.00 0.00 H new ATOM 282 N THR A 44 26.922 -12.692 -10.069 1.00 0.00 N ATOM 283 CA THR A 44 27.836 -11.680 -10.594 1.00 0.00 C ATOM 284 C THR A 44 28.137 -10.629 -9.535 1.00 0.00 C ATOM 285 O THR A 44 29.253 -10.113 -9.455 1.00 0.00 O ATOM 286 CB THR A 44 27.216 -11.002 -11.817 1.00 0.00 C ATOM 287 OG1 THR A 44 25.999 -10.372 -11.440 1.00 0.00 O ATOM 288 CG2 THR A 44 26.934 -12.052 -12.891 1.00 0.00 C ATOM 0 H THR A 44 25.981 -12.661 -10.461 1.00 0.00 H new ATOM 0 HA THR A 44 28.766 -12.172 -10.879 1.00 0.00 H new ATOM 0 HB THR A 44 27.906 -10.256 -12.210 1.00 0.00 H new ATOM 0 HG1 THR A 44 25.601 -9.935 -12.222 1.00 0.00 H new ATOM 0 HG21 THR A 44 26.492 -11.571 -13.763 1.00 0.00 H new ATOM 0 HG22 THR A 44 27.866 -12.538 -13.178 1.00 0.00 H new ATOM 0 HG23 THR A 44 26.242 -12.797 -12.498 1.00 0.00 H new ATOM 296 N ASP A 45 27.134 -10.314 -8.727 1.00 0.00 N ATOM 297 CA ASP A 45 27.302 -9.321 -7.679 1.00 0.00 C ATOM 298 C ASP A 45 27.527 -9.973 -6.327 1.00 0.00 C ATOM 299 O ASP A 45 27.558 -9.253 -5.329 1.00 0.00 O ATOM 300 CB ASP A 45 26.069 -8.430 -7.585 1.00 0.00 C ATOM 301 CG ASP A 45 25.931 -7.610 -8.857 1.00 0.00 C ATOM 302 OD1 ASP A 45 26.934 -7.417 -9.522 1.00 0.00 O ATOM 303 OD2 ASP A 45 24.823 -7.196 -9.152 1.00 0.00 O ATOM 0 H ASP A 45 26.203 -10.729 -8.777 1.00 0.00 H new ATOM 0 HA ASP A 45 28.177 -8.726 -7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 45 25.178 -9.040 -7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 45 26.151 -7.769 -6.722 1.00 0.00 H new ATOM 308 N SER A 46 27.660 -11.324 -6.317 1.00 0.00 N ATOM 309 CA SER A 46 27.868 -12.109 -5.087 1.00 0.00 C ATOM 310 C SER A 46 28.152 -11.208 -3.899 1.00 0.00 C ATOM 311 O SER A 46 29.285 -10.781 -3.690 1.00 0.00 O ATOM 312 CB SER A 46 29.042 -13.069 -5.288 1.00 0.00 C ATOM 313 OG SER A 46 28.993 -14.078 -4.293 1.00 0.00 O ATOM 0 H SER A 46 27.625 -11.893 -7.163 1.00 0.00 H new ATOM 0 HA SER A 46 26.955 -12.668 -4.881 1.00 0.00 H new ATOM 0 HB2 SER A 46 28.995 -13.517 -6.280 1.00 0.00 H new ATOM 0 HB3 SER A 46 29.986 -12.527 -5.227 1.00 0.00 H new ATOM 0 HG SER A 46 29.742 -14.697 -4.418 1.00 0.00 H new ATOM 319 N LEU A 47 27.106 -10.889 -3.139 1.00 0.00 N ATOM 320 CA LEU A 47 27.250 -10.009 -1.997 1.00 0.00 C ATOM 321 C LEU A 47 27.040 -10.783 -0.708 1.00 0.00 C ATOM 322 O LEU A 47 26.066 -11.525 -0.568 1.00 0.00 O ATOM 323 CB LEU A 47 26.235 -8.866 -2.086 1.00 0.00 C ATOM 324 CG LEU A 47 26.366 -7.956 -0.862 1.00 0.00 C ATOM 325 CD1 LEU A 47 27.755 -7.313 -0.844 1.00 0.00 C ATOM 326 CD2 LEU A 47 25.297 -6.869 -0.926 1.00 0.00 C ATOM 0 H LEU A 47 26.157 -11.228 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 47 28.258 -9.594 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 47 26.401 -8.291 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 47 25.224 -9.269 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 47 26.233 -8.545 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 47 27.845 -6.666 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 47 28.516 -8.092 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 47 27.894 -6.723 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 47 25.387 -6.219 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 47 25.430 -6.281 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.309 -7.330 -0.934 1.00 0.00 H new ATOM 338 N LYS A 48 27.950 -10.605 0.239 1.00 0.00 N ATOM 339 CA LYS A 48 27.847 -11.292 1.516 1.00 0.00 C ATOM 340 C LYS A 48 27.209 -10.385 2.562 1.00 0.00 C ATOM 341 O LYS A 48 27.571 -9.214 2.689 1.00 0.00 O ATOM 342 CB LYS A 48 29.241 -11.719 1.983 1.00 0.00 C ATOM 343 CG LYS A 48 29.922 -12.567 0.896 1.00 0.00 C ATOM 344 CD LYS A 48 29.255 -13.943 0.800 1.00 0.00 C ATOM 345 CE LYS A 48 29.655 -14.785 2.010 1.00 0.00 C ATOM 346 NZ LYS A 48 29.195 -16.186 1.809 1.00 0.00 N ATOM 0 H LYS A 48 28.762 -9.995 0.148 1.00 0.00 H new ATOM 0 HA LYS A 48 27.218 -12.173 1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.846 -10.839 2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.165 -12.291 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.859 -12.057 -0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.981 -12.684 1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.171 -13.832 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.557 -14.443 -0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.737 -14.761 2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 48 29.213 -14.372 2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 29.359 -16.733 2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 28.179 -16.189 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 29.724 -16.616 1.024 1.00 0.00 H new ATOM 360 N ILE A 49 26.261 -10.936 3.310 1.00 0.00 N ATOM 361 CA ILE A 49 25.575 -10.169 4.343 1.00 0.00 C ATOM 362 C ILE A 49 25.645 -10.895 5.683 1.00 0.00 C ATOM 363 O ILE A 49 25.923 -12.093 5.736 1.00 0.00 O ATOM 364 CB ILE A 49 24.112 -9.952 3.950 1.00 0.00 C ATOM 365 CG1 ILE A 49 23.400 -11.305 3.831 1.00 0.00 C ATOM 366 CG2 ILE A 49 24.049 -9.230 2.602 1.00 0.00 C ATOM 367 CD1 ILE A 49 21.895 -11.080 3.675 1.00 0.00 C ATOM 0 H ILE A 49 25.951 -11.904 3.222 1.00 0.00 H new ATOM 0 HA ILE A 49 26.069 -9.202 4.441 1.00 0.00 H new ATOM 0 HB ILE A 49 23.621 -9.350 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 49 23.786 -11.857 2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 49 23.598 -11.911 4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 49 23.007 -9.075 2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 49 24.551 -8.266 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 49 24.544 -9.835 1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 49 21.390 -12.042 3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 49 21.515 -10.546 4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 49 21.706 -10.491 2.777 1.00 0.00 H new ATOM 379 N LYS A 50 25.388 -10.163 6.759 1.00 0.00 N ATOM 380 CA LYS A 50 25.423 -10.750 8.093 1.00 0.00 C ATOM 381 C LYS A 50 24.211 -10.306 8.907 1.00 0.00 C ATOM 382 O LYS A 50 23.844 -9.132 8.901 1.00 0.00 O ATOM 383 CB LYS A 50 26.707 -10.333 8.810 1.00 0.00 C ATOM 384 CG LYS A 50 26.763 -11.001 10.185 1.00 0.00 C ATOM 385 CD LYS A 50 28.144 -10.773 10.806 1.00 0.00 C ATOM 386 CE LYS A 50 28.320 -9.289 11.134 1.00 0.00 C ATOM 387 NZ LYS A 50 29.645 -9.079 11.784 1.00 0.00 N ATOM 0 H LYS A 50 25.155 -9.170 6.736 1.00 0.00 H new ATOM 0 HA LYS A 50 25.399 -11.835 7.995 1.00 0.00 H new ATOM 0 HB2 LYS A 50 27.576 -10.620 8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.740 -9.249 8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.989 -10.590 10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 50 26.566 -12.069 10.091 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.250 -11.371 11.711 1.00 0.00 H new ATOM 0 HD3 LYS A 50 28.923 -11.098 10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.251 -8.693 10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 50 27.521 -8.954 11.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 29.766 -8.071 12.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 29.694 -9.636 12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 30.401 -9.383 11.138 1.00 0.00 H new ATOM 401 N LYS A 51 23.591 -11.252 9.604 1.00 0.00 N ATOM 402 CA LYS A 51 22.420 -10.941 10.416 1.00 0.00 C ATOM 403 C LYS A 51 22.710 -9.763 11.340 1.00 0.00 C ATOM 404 O LYS A 51 23.733 -9.731 12.024 1.00 0.00 O ATOM 405 CB LYS A 51 22.032 -12.162 11.252 1.00 0.00 C ATOM 406 CG LYS A 51 20.790 -11.838 12.086 1.00 0.00 C ATOM 407 CD LYS A 51 20.265 -13.117 12.741 1.00 0.00 C ATOM 408 CE LYS A 51 21.269 -13.611 13.785 1.00 0.00 C ATOM 409 NZ LYS A 51 20.727 -14.824 14.459 1.00 0.00 N ATOM 0 H LYS A 51 23.876 -12.231 9.624 1.00 0.00 H new ATOM 0 HA LYS A 51 21.597 -10.675 9.753 1.00 0.00 H new ATOM 0 HB2 LYS A 51 21.834 -13.013 10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 51 22.857 -12.446 11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.035 -11.100 12.850 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.019 -11.398 11.453 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.300 -12.927 13.212 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.105 -13.885 11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.222 -13.842 13.308 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.461 -12.829 14.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.409 -15.161 15.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 19.828 -14.589 14.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.565 -15.570 13.753 1.00 0.00 H new ATOM 423 N GLY A 52 21.802 -8.792 11.348 1.00 0.00 N ATOM 424 CA GLY A 52 21.962 -7.606 12.181 1.00 0.00 C ATOM 425 C GLY A 52 22.498 -6.431 11.364 1.00 0.00 C ATOM 426 O GLY A 52 22.385 -5.277 11.777 1.00 0.00 O ATOM 0 H GLY A 52 20.950 -8.803 10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.004 -7.337 12.625 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.644 -7.824 13.003 1.00 0.00 H new ATOM 430 N ASP A 53 23.073 -6.730 10.201 1.00 0.00 N ATOM 431 CA ASP A 53 23.613 -5.690 9.332 1.00 0.00 C ATOM 432 C ASP A 53 22.486 -4.900 8.671 1.00 0.00 C ATOM 433 O ASP A 53 21.371 -5.400 8.518 1.00 0.00 O ATOM 434 CB ASP A 53 24.493 -6.319 8.253 1.00 0.00 C ATOM 435 CG ASP A 53 25.402 -5.260 7.641 1.00 0.00 C ATOM 436 OD1 ASP A 53 24.925 -4.510 6.804 1.00 0.00 O ATOM 437 OD2 ASP A 53 26.561 -5.212 8.017 1.00 0.00 O ATOM 0 H ASP A 53 23.176 -7.679 9.841 1.00 0.00 H new ATOM 0 HA ASP A 53 24.209 -5.010 9.941 1.00 0.00 H new ATOM 0 HB2 ASP A 53 25.093 -7.121 8.683 1.00 0.00 H new ATOM 0 HB3 ASP A 53 23.870 -6.767 7.479 1.00 0.00 H new ATOM 442 N ILE A 54 22.788 -3.664 8.283 1.00 0.00 N ATOM 443 CA ILE A 54 21.793 -2.812 7.638 1.00 0.00 C ATOM 444 C ILE A 54 22.199 -2.527 6.197 1.00 0.00 C ATOM 445 O ILE A 54 23.320 -2.093 5.925 1.00 0.00 O ATOM 446 CB ILE A 54 21.650 -1.495 8.405 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.317 -1.786 9.877 1.00 0.00 C ATOM 448 CG2 ILE A 54 20.534 -0.652 7.781 1.00 0.00 C ATOM 449 CD1 ILE A 54 20.030 -2.620 9.989 1.00 0.00 C ATOM 0 H ILE A 54 23.705 -3.233 8.402 1.00 0.00 H new ATOM 0 HA ILE A 54 20.835 -3.332 7.641 1.00 0.00 H new ATOM 0 HB ILE A 54 22.589 -0.945 8.351 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.144 -2.321 10.343 1.00 0.00 H new ATOM 0 HG13 ILE A 54 21.197 -0.849 10.420 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.435 0.285 8.330 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.778 -0.439 6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.594 -1.201 7.828 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.813 -2.815 11.039 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.201 -2.071 9.543 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.163 -3.566 9.465 1.00 0.00 H new ATOM 461 N ILE A 55 21.276 -2.784 5.277 1.00 0.00 N ATOM 462 CA ILE A 55 21.536 -2.563 3.859 1.00 0.00 C ATOM 463 C ILE A 55 20.584 -1.515 3.294 1.00 0.00 C ATOM 464 O ILE A 55 19.373 -1.606 3.467 1.00 0.00 O ATOM 465 CB ILE A 55 21.374 -3.874 3.087 1.00 0.00 C ATOM 466 CG1 ILE A 55 22.359 -4.903 3.637 1.00 0.00 C ATOM 467 CG2 ILE A 55 21.670 -3.637 1.604 1.00 0.00 C ATOM 468 CD1 ILE A 55 22.063 -6.273 3.023 1.00 0.00 C ATOM 0 H ILE A 55 20.345 -3.144 5.486 1.00 0.00 H new ATOM 0 HA ILE A 55 22.559 -2.202 3.750 1.00 0.00 H new ATOM 0 HB ILE A 55 20.353 -4.239 3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.381 -4.603 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.279 -4.954 4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.554 -4.572 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.976 -2.896 1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.692 -3.274 1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.766 -7.007 3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.046 -6.573 3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 55 22.166 -6.216 1.939 1.00 0.00 H new ATOM 480 N ASP A 56 21.137 -0.522 2.610 1.00 0.00 N ATOM 481 CA ASP A 56 20.319 0.532 2.022 1.00 0.00 C ATOM 482 C ASP A 56 19.597 0.013 0.785 1.00 0.00 C ATOM 483 O ASP A 56 20.236 -0.429 -0.171 1.00 0.00 O ATOM 484 CB ASP A 56 21.201 1.721 1.640 1.00 0.00 C ATOM 485 CG ASP A 56 20.334 2.904 1.219 1.00 0.00 C ATOM 486 OD1 ASP A 56 19.156 2.698 0.975 1.00 0.00 O ATOM 487 OD2 ASP A 56 20.861 4.003 1.153 1.00 0.00 O ATOM 0 H ASP A 56 22.139 -0.424 2.449 1.00 0.00 H new ATOM 0 HA ASP A 56 19.579 0.851 2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 56 21.830 2.003 2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 56 21.869 1.441 0.825 1.00 0.00 H new ATOM 492 N ILE A 57 18.267 0.066 0.807 1.00 0.00 N ATOM 493 CA ILE A 57 17.471 -0.409 -0.320 1.00 0.00 C ATOM 494 C ILE A 57 17.636 0.523 -1.516 1.00 0.00 C ATOM 495 O ILE A 57 17.428 1.732 -1.406 1.00 0.00 O ATOM 496 CB ILE A 57 15.996 -0.467 0.078 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.827 -1.424 1.262 1.00 0.00 C ATOM 498 CG2 ILE A 57 15.168 -0.978 -1.102 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.410 -1.298 1.825 1.00 0.00 C ATOM 0 H ILE A 57 17.722 0.431 1.588 1.00 0.00 H new ATOM 0 HA ILE A 57 17.816 -1.406 -0.596 1.00 0.00 H new ATOM 0 HB ILE A 57 15.657 0.530 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 57 16.013 -2.450 0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.559 -1.194 2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 57 14.116 -1.019 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.289 -0.304 -1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 57 15.508 -1.976 -1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 57 14.291 -1.980 2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.241 -0.274 2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.687 -1.550 1.050 1.00 0.00 H new ATOM 511 N ILE A 58 18.011 -0.048 -2.655 1.00 0.00 N ATOM 512 CA ILE A 58 18.201 0.738 -3.868 1.00 0.00 C ATOM 513 C ILE A 58 17.119 0.419 -4.894 1.00 0.00 C ATOM 514 O ILE A 58 16.577 1.316 -5.539 1.00 0.00 O ATOM 515 CB ILE A 58 19.579 0.448 -4.469 1.00 0.00 C ATOM 516 CG1 ILE A 58 20.666 0.980 -3.529 1.00 0.00 C ATOM 517 CG2 ILE A 58 19.697 1.137 -5.830 1.00 0.00 C ATOM 518 CD1 ILE A 58 22.035 0.472 -3.989 1.00 0.00 C ATOM 0 H ILE A 58 18.189 -1.047 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 58 18.133 1.794 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 58 19.703 -0.627 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 58 20.654 2.070 -3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 58 20.470 0.653 -2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.678 0.931 -6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.923 0.759 -6.498 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.575 2.213 -5.705 1.00 0.00 H new ATOM 0 HD11 ILE A 58 22.807 0.851 -3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 58 22.043 -0.618 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 58 22.231 0.821 -5.003 1.00 0.00 H new ATOM 530 N CYS A 59 16.816 -0.868 -5.046 1.00 0.00 N ATOM 531 CA CYS A 59 15.803 -1.296 -6.004 1.00 0.00 C ATOM 532 C CYS A 59 15.060 -2.523 -5.486 1.00 0.00 C ATOM 533 O CYS A 59 15.663 -3.432 -4.913 1.00 0.00 O ATOM 534 CB CYS A 59 16.461 -1.624 -7.345 1.00 0.00 C ATOM 535 SG CYS A 59 15.186 -2.074 -8.548 1.00 0.00 S ATOM 0 H CYS A 59 17.254 -1.626 -4.522 1.00 0.00 H new ATOM 0 HA CYS A 59 15.089 -0.483 -6.138 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.028 -0.765 -7.704 1.00 0.00 H new ATOM 0 HB3 CYS A 59 17.168 -2.445 -7.224 1.00 0.00 H new ATOM 0 HG CYS A 59 15.744 -2.351 -9.689 1.00 0.00 H new ATOM 541 N LYS A 60 13.748 -2.541 -5.688 1.00 0.00 N ATOM 542 CA LYS A 60 12.930 -3.661 -5.237 1.00 0.00 C ATOM 543 C LYS A 60 12.237 -4.324 -6.417 1.00 0.00 C ATOM 544 O LYS A 60 11.987 -3.684 -7.439 1.00 0.00 O ATOM 545 CB LYS A 60 11.886 -3.173 -4.232 1.00 0.00 C ATOM 546 CG LYS A 60 12.595 -2.641 -2.984 1.00 0.00 C ATOM 547 CD LYS A 60 11.577 -1.963 -2.066 1.00 0.00 C ATOM 548 CE LYS A 60 10.603 -3.007 -1.516 1.00 0.00 C ATOM 549 NZ LYS A 60 9.653 -2.349 -0.575 1.00 0.00 N ATOM 0 H LYS A 60 13.230 -1.798 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 60 13.579 -4.393 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.273 -2.389 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.214 -3.988 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.088 -3.458 -2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.372 -1.932 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.090 -1.462 -1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.031 -1.196 -2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.056 -3.477 -2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.151 -3.798 -1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.990 -3.057 -0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.183 -1.921 0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.122 -1.610 -1.078 1.00 0.00 H new ATOM 563 N THR A 61 11.922 -5.606 -6.271 1.00 0.00 N ATOM 564 CA THR A 61 11.252 -6.331 -7.339 1.00 0.00 C ATOM 565 C THR A 61 10.074 -7.141 -6.789 1.00 0.00 C ATOM 566 O THR A 61 10.077 -7.546 -5.622 1.00 0.00 O ATOM 567 CB THR A 61 12.244 -7.265 -8.034 1.00 0.00 C ATOM 568 OG1 THR A 61 12.764 -8.188 -7.089 1.00 0.00 O ATOM 569 CG2 THR A 61 13.383 -6.442 -8.630 1.00 0.00 C ATOM 0 H THR A 61 12.117 -6.157 -5.435 1.00 0.00 H new ATOM 0 HA THR A 61 10.868 -5.608 -8.059 1.00 0.00 H new ATOM 0 HB THR A 61 11.738 -7.810 -8.830 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.627 -7.864 -6.757 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.091 -7.106 -9.126 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.980 -5.735 -9.355 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.892 -5.897 -7.835 1.00 0.00 H new ATOM 577 N PRO A 62 9.079 -7.399 -7.602 1.00 0.00 N ATOM 578 CA PRO A 62 7.878 -8.179 -7.179 1.00 0.00 C ATOM 579 C PRO A 62 8.235 -9.605 -6.776 1.00 0.00 C ATOM 580 O PRO A 62 8.663 -10.404 -7.608 1.00 0.00 O ATOM 581 CB PRO A 62 6.983 -8.174 -8.426 1.00 0.00 C ATOM 582 CG PRO A 62 7.894 -7.869 -9.569 1.00 0.00 C ATOM 583 CD PRO A 62 8.986 -6.976 -9.006 1.00 0.00 C ATOM 0 HA PRO A 62 7.397 -7.746 -6.302 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.493 -9.138 -8.561 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.196 -7.425 -8.341 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.315 -8.783 -9.988 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.356 -7.368 -10.374 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.931 -7.116 -9.532 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.727 -5.921 -9.092 1.00 0.00 H new ATOM 591 N MET A 63 8.046 -9.913 -5.493 1.00 0.00 N ATOM 592 CA MET A 63 8.344 -11.244 -4.976 1.00 0.00 C ATOM 593 C MET A 63 9.708 -11.709 -5.470 1.00 0.00 C ATOM 594 O MET A 63 9.924 -12.899 -5.698 1.00 0.00 O ATOM 595 CB MET A 63 7.266 -12.232 -5.424 1.00 0.00 C ATOM 596 CG MET A 63 5.945 -11.898 -4.727 1.00 0.00 C ATOM 597 SD MET A 63 4.635 -12.966 -5.374 1.00 0.00 S ATOM 598 CE MET A 63 5.210 -14.509 -4.626 1.00 0.00 C ATOM 0 H MET A 63 7.689 -9.259 -4.796 1.00 0.00 H new ATOM 0 HA MET A 63 8.359 -11.201 -3.887 1.00 0.00 H new ATOM 0 HB2 MET A 63 7.141 -12.184 -6.506 1.00 0.00 H new ATOM 0 HB3 MET A 63 7.569 -13.251 -5.183 1.00 0.00 H new ATOM 0 HG2 MET A 63 6.044 -12.037 -3.650 1.00 0.00 H new ATOM 0 HG3 MET A 63 5.690 -10.851 -4.891 1.00 0.00 H new ATOM 0 HE1 MET A 63 4.365 -15.185 -4.491 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.948 -14.976 -5.278 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.663 -14.297 -3.658 1.00 0.00 H new ATOM 608 N GLY A 64 10.627 -10.758 -5.641 1.00 0.00 N ATOM 609 CA GLY A 64 11.966 -11.088 -6.119 1.00 0.00 C ATOM 610 C GLY A 64 13.027 -10.602 -5.139 1.00 0.00 C ATOM 611 O GLY A 64 12.720 -9.907 -4.173 1.00 0.00 O ATOM 0 H GLY A 64 10.471 -9.767 -5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.054 -12.166 -6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.131 -10.632 -7.095 1.00 0.00 H new ATOM 615 N MET A 65 14.274 -10.979 -5.394 1.00 0.00 N ATOM 616 CA MET A 65 15.368 -10.585 -4.522 1.00 0.00 C ATOM 617 C MET A 65 15.489 -9.064 -4.485 1.00 0.00 C ATOM 618 O MET A 65 15.187 -8.384 -5.464 1.00 0.00 O ATOM 619 CB MET A 65 16.678 -11.194 -5.025 1.00 0.00 C ATOM 620 CG MET A 65 17.307 -10.272 -6.069 1.00 0.00 C ATOM 621 SD MET A 65 18.563 -11.188 -6.999 1.00 0.00 S ATOM 622 CE MET A 65 19.519 -11.783 -5.579 1.00 0.00 C ATOM 0 H MET A 65 14.549 -11.552 -6.191 1.00 0.00 H new ATOM 0 HA MET A 65 15.164 -10.949 -3.515 1.00 0.00 H new ATOM 0 HB2 MET A 65 17.366 -11.339 -4.192 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.491 -12.176 -5.459 1.00 0.00 H new ATOM 0 HG2 MET A 65 16.541 -9.894 -6.746 1.00 0.00 H new ATOM 0 HG3 MET A 65 17.757 -9.407 -5.582 1.00 0.00 H new ATOM 0 HE1 MET A 65 20.558 -11.930 -5.875 1.00 0.00 H new ATOM 0 HE2 MET A 65 19.472 -11.049 -4.775 1.00 0.00 H new ATOM 0 HE3 MET A 65 19.104 -12.729 -5.231 1.00 0.00 H new ATOM 632 N TRP A 66 15.926 -8.541 -3.343 1.00 0.00 N ATOM 633 CA TRP A 66 16.080 -7.098 -3.171 1.00 0.00 C ATOM 634 C TRP A 66 17.512 -6.659 -3.448 1.00 0.00 C ATOM 635 O TRP A 66 18.462 -7.412 -3.230 1.00 0.00 O ATOM 636 CB TRP A 66 15.685 -6.695 -1.748 1.00 0.00 C ATOM 637 CG TRP A 66 14.198 -6.736 -1.587 1.00 0.00 C ATOM 638 CD1 TRP A 66 13.317 -7.122 -2.539 1.00 0.00 C ATOM 639 CD2 TRP A 66 13.407 -6.378 -0.419 1.00 0.00 C ATOM 640 NE1 TRP A 66 12.034 -7.017 -2.028 1.00 0.00 N ATOM 641 CE2 TRP A 66 12.038 -6.566 -0.725 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.741 -5.915 0.864 1.00 0.00 C ATOM 643 CZ2 TRP A 66 11.035 -6.299 0.209 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.736 -5.648 1.804 1.00 0.00 C ATOM 645 CH2 TRP A 66 11.386 -5.841 1.476 1.00 0.00 C ATOM 0 H TRP A 66 16.180 -9.093 -2.524 1.00 0.00 H new ATOM 0 HA TRP A 66 15.424 -6.602 -3.887 1.00 0.00 H new ATOM 0 HB2 TRP A 66 16.153 -7.368 -1.030 1.00 0.00 H new ATOM 0 HB3 TRP A 66 16.053 -5.692 -1.532 1.00 0.00 H new ATOM 0 HD1 TRP A 66 13.572 -7.457 -3.534 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.189 -7.245 -2.552 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.777 -5.764 1.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.997 -6.446 -0.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 13.003 -5.291 2.788 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.618 -5.634 2.207 1.00 0.00 H new ATOM 656 N THR A 67 17.655 -5.429 -3.934 1.00 0.00 N ATOM 657 CA THR A 67 18.967 -4.886 -4.241 1.00 0.00 C ATOM 658 C THR A 67 19.261 -3.704 -3.327 1.00 0.00 C ATOM 659 O THR A 67 18.393 -2.872 -3.071 1.00 0.00 O ATOM 660 CB THR A 67 19.035 -4.444 -5.708 1.00 0.00 C ATOM 661 OG1 THR A 67 18.753 -5.558 -6.548 1.00 0.00 O ATOM 662 CG2 THR A 67 20.442 -3.926 -6.010 1.00 0.00 C ATOM 0 H THR A 67 16.879 -4.794 -4.122 1.00 0.00 H new ATOM 0 HA THR A 67 19.715 -5.662 -4.078 1.00 0.00 H new ATOM 0 HB THR A 67 18.305 -3.655 -5.890 1.00 0.00 H new ATOM 0 HG1 THR A 67 19.457 -6.232 -6.445 1.00 0.00 H new ATOM 0 HG21 THR A 67 20.498 -3.610 -7.052 1.00 0.00 H new ATOM 0 HG22 THR A 67 20.665 -3.079 -5.361 1.00 0.00 H new ATOM 0 HG23 THR A 67 21.168 -4.720 -5.832 1.00 0.00 H new ATOM 670 N GLY A 68 20.492 -3.631 -2.836 1.00 0.00 N ATOM 671 CA GLY A 68 20.878 -2.540 -1.948 1.00 0.00 C ATOM 672 C GLY A 68 22.396 -2.416 -1.863 1.00 0.00 C ATOM 673 O GLY A 68 23.122 -3.002 -2.669 1.00 0.00 O ATOM 0 H GLY A 68 21.232 -4.304 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.453 -1.604 -2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.467 -2.713 -0.953 1.00 0.00 H new ATOM 677 N MET A 69 22.865 -1.645 -0.890 1.00 0.00 N ATOM 678 CA MET A 69 24.301 -1.445 -0.711 1.00 0.00 C ATOM 679 C MET A 69 24.709 -1.794 0.717 1.00 0.00 C ATOM 680 O MET A 69 24.013 -1.450 1.675 1.00 0.00 O ATOM 681 CB MET A 69 24.671 0.009 -1.010 1.00 0.00 C ATOM 682 CG MET A 69 26.186 0.185 -0.876 1.00 0.00 C ATOM 683 SD MET A 69 26.644 1.857 -1.395 1.00 0.00 S ATOM 684 CE MET A 69 25.922 2.737 0.011 1.00 0.00 C ATOM 0 H MET A 69 22.279 -1.151 -0.217 1.00 0.00 H new ATOM 0 HA MET A 69 24.831 -2.100 -1.403 1.00 0.00 H new ATOM 0 HB2 MET A 69 24.350 0.278 -2.016 1.00 0.00 H new ATOM 0 HB3 MET A 69 24.154 0.677 -0.321 1.00 0.00 H new ATOM 0 HG2 MET A 69 26.493 0.016 0.156 1.00 0.00 H new ATOM 0 HG3 MET A 69 26.705 -0.553 -1.488 1.00 0.00 H new ATOM 0 HE1 MET A 69 26.460 3.672 0.170 1.00 0.00 H new ATOM 0 HE2 MET A 69 24.873 2.952 -0.194 1.00 0.00 H new ATOM 0 HE3 MET A 69 25.997 2.118 0.905 1.00 0.00 H new ATOM 694 N LEU A 70 25.843 -2.472 0.853 1.00 0.00 N ATOM 695 CA LEU A 70 26.341 -2.862 2.164 1.00 0.00 C ATOM 696 C LEU A 70 27.831 -2.559 2.279 1.00 0.00 C ATOM 697 O LEU A 70 28.650 -3.154 1.578 1.00 0.00 O ATOM 698 CB LEU A 70 26.108 -4.361 2.379 1.00 0.00 C ATOM 699 CG LEU A 70 26.072 -4.668 3.883 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.477 -6.068 4.113 1.00 0.00 C ATOM 701 CD2 LEU A 70 27.494 -4.607 4.468 1.00 0.00 C ATOM 0 H LEU A 70 26.433 -2.762 0.073 1.00 0.00 H new ATOM 0 HA LEU A 70 25.805 -2.294 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.170 -4.664 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 70 26.901 -4.935 1.900 1.00 0.00 H new ATOM 0 HG LEU A 70 25.450 -3.925 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 70 25.453 -6.282 5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.464 -6.103 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 70 26.092 -6.812 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 70 27.458 -4.826 5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 70 28.125 -5.342 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 70 27.907 -3.610 4.316 1.00 0.00 H new ATOM 713 N ASN A 71 28.184 -1.645 3.180 1.00 0.00 N ATOM 714 CA ASN A 71 29.584 -1.299 3.382 1.00 0.00 C ATOM 715 C ASN A 71 30.244 -0.917 2.064 1.00 0.00 C ATOM 716 O ASN A 71 31.241 -1.516 1.664 1.00 0.00 O ATOM 717 CB ASN A 71 30.329 -2.476 4.010 1.00 0.00 C ATOM 718 CG ASN A 71 31.714 -2.033 4.454 1.00 0.00 C ATOM 719 OD1 ASN A 71 31.897 -0.894 4.887 1.00 0.00 O ATOM 720 ND2 ASN A 71 32.705 -2.870 4.368 1.00 0.00 N ATOM 0 H ASN A 71 27.528 -1.138 3.774 1.00 0.00 H new ATOM 0 HA ASN A 71 29.630 -0.442 4.054 1.00 0.00 H new ATOM 0 HB2 ASN A 71 29.769 -2.859 4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 71 30.411 -3.291 3.291 1.00 0.00 H new ATOM 0 HD21 ASN A 71 33.640 -2.585 4.660 1.00 0.00 H new ATOM 0 HD22 ASN A 71 32.548 -3.812 4.009 1.00 0.00 H new ATOM 727 N ASN A 72 29.682 0.080 1.391 1.00 0.00 N ATOM 728 CA ASN A 72 30.226 0.530 0.118 1.00 0.00 C ATOM 729 C ASN A 72 30.290 -0.625 -0.872 1.00 0.00 C ATOM 730 O ASN A 72 31.223 -0.720 -1.668 1.00 0.00 O ATOM 731 CB ASN A 72 31.628 1.111 0.321 1.00 0.00 C ATOM 732 CG ASN A 72 31.547 2.404 1.127 1.00 0.00 C ATOM 733 OD1 ASN A 72 30.486 3.024 1.205 1.00 0.00 O ATOM 734 ND2 ASN A 72 32.615 2.856 1.728 1.00 0.00 N ATOM 0 H ASN A 72 28.855 0.589 1.704 1.00 0.00 H new ATOM 0 HA ASN A 72 29.570 1.303 -0.283 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.258 0.389 0.840 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.094 1.304 -0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.571 3.723 2.263 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.493 2.341 1.663 1.00 0.00 H new ATOM 741 N LYS A 73 29.288 -1.498 -0.823 1.00 0.00 N ATOM 742 CA LYS A 73 29.242 -2.635 -1.732 1.00 0.00 C ATOM 743 C LYS A 73 27.814 -2.858 -2.228 1.00 0.00 C ATOM 744 O LYS A 73 26.939 -3.249 -1.465 1.00 0.00 O ATOM 745 CB LYS A 73 29.746 -3.886 -1.012 1.00 0.00 C ATOM 746 CG LYS A 73 30.377 -4.841 -2.028 1.00 0.00 C ATOM 747 CD LYS A 73 31.736 -4.287 -2.463 1.00 0.00 C ATOM 748 CE LYS A 73 32.770 -5.413 -2.463 1.00 0.00 C ATOM 749 NZ LYS A 73 34.138 -4.833 -2.587 1.00 0.00 N ATOM 0 H LYS A 73 28.506 -1.440 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 73 29.881 -2.430 -2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.478 -3.611 -0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 73 28.922 -4.379 -0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 73 30.498 -5.831 -1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 73 29.723 -4.955 -2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 73 31.660 -3.849 -3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 73 32.049 -3.491 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 73 32.692 -5.993 -1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 73 32.578 -6.098 -3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 34.841 -5.599 -2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 34.209 -4.298 -3.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 34.319 -4.197 -1.785 1.00 0.00 H new ATOM 763 N VAL A 74 27.587 -2.617 -3.512 1.00 0.00 N ATOM 764 CA VAL A 74 26.255 -2.797 -4.082 1.00 0.00 C ATOM 765 C VAL A 74 26.105 -4.191 -4.679 1.00 0.00 C ATOM 766 O VAL A 74 26.928 -4.621 -5.486 1.00 0.00 O ATOM 767 CB VAL A 74 26.011 -1.748 -5.166 1.00 0.00 C ATOM 768 CG1 VAL A 74 24.644 -1.983 -5.810 1.00 0.00 C ATOM 769 CG2 VAL A 74 26.043 -0.352 -4.542 1.00 0.00 C ATOM 0 H VAL A 74 28.296 -2.300 -4.173 1.00 0.00 H new ATOM 0 HA VAL A 74 25.521 -2.679 -3.285 1.00 0.00 H new ATOM 0 HB VAL A 74 26.789 -1.827 -5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 74 24.472 -1.234 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 74 24.618 -2.977 -6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 74 23.866 -1.906 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 74 25.869 0.396 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 74 25.266 -0.275 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 74 27.017 -0.180 -4.084 1.00 0.00 H new ATOM 779 N GLY A 75 25.049 -4.893 -4.275 1.00 0.00 N ATOM 780 CA GLY A 75 24.805 -6.239 -4.777 1.00 0.00 C ATOM 781 C GLY A 75 23.362 -6.659 -4.521 1.00 0.00 C ATOM 782 O GLY A 75 22.555 -5.878 -4.009 1.00 0.00 O ATOM 0 H GLY A 75 24.356 -4.555 -3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 75 25.015 -6.277 -5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 75 25.484 -6.941 -4.293 1.00 0.00 H new ATOM 786 N ASN A 76 23.044 -7.897 -4.888 1.00 0.00 N ATOM 787 CA ASN A 76 21.693 -8.415 -4.703 1.00 0.00 C ATOM 788 C ASN A 76 21.659 -9.442 -3.573 1.00 0.00 C ATOM 789 O ASN A 76 22.674 -10.056 -3.244 1.00 0.00 O ATOM 790 CB ASN A 76 21.200 -9.060 -6.000 1.00 0.00 C ATOM 791 CG ASN A 76 21.434 -8.116 -7.176 1.00 0.00 C ATOM 792 OD1 ASN A 76 20.961 -6.900 -7.131 1.00 0.00 O flip ATOM 793 ND2 ASN A 76 22.072 -8.494 -8.157 1.00 0.00 N flip ATOM 0 H ASN A 76 23.698 -8.555 -5.312 1.00 0.00 H new ATOM 0 HA ASN A 76 21.039 -7.584 -4.439 1.00 0.00 H new ATOM 0 HB2 ASN A 76 21.723 -10.001 -6.169 1.00 0.00 H new ATOM 0 HB3 ASN A 76 20.139 -9.295 -5.918 1.00 0.00 H new ATOM 0 HD21 ASN A 76 22.441 -9.444 -8.190 1.00 0.00 H new ATOM 0 HD22 ASN A 76 22.232 -7.857 -8.937 1.00 0.00 H new ATOM 800 N PHE A 77 20.481 -9.617 -2.988 1.00 0.00 N ATOM 801 CA PHE A 77 20.308 -10.572 -1.893 1.00 0.00 C ATOM 802 C PHE A 77 18.859 -11.032 -1.786 1.00 0.00 C ATOM 803 O PHE A 77 17.941 -10.346 -2.232 1.00 0.00 O ATOM 804 CB PHE A 77 20.757 -9.934 -0.580 1.00 0.00 C ATOM 805 CG PHE A 77 20.236 -8.520 -0.511 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.943 -8.268 -0.049 1.00 0.00 C ATOM 807 CD2 PHE A 77 21.056 -7.460 -0.914 1.00 0.00 C ATOM 808 CE1 PHE A 77 18.468 -6.953 0.015 1.00 0.00 C ATOM 809 CE2 PHE A 77 20.582 -6.145 -0.851 1.00 0.00 C ATOM 810 CZ PHE A 77 19.286 -5.892 -0.388 1.00 0.00 C ATOM 0 H PHE A 77 19.633 -9.114 -3.249 1.00 0.00 H new ATOM 0 HA PHE A 77 20.922 -11.448 -2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 77 20.385 -10.513 0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.845 -9.937 -0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 77 18.310 -9.087 0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 77 22.055 -7.657 -1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.469 -6.757 0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 77 21.216 -5.326 -1.159 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.917 -4.878 -0.342 1.00 0.00 H new ATOM 820 N LYS A 78 18.660 -12.204 -1.194 1.00 0.00 N ATOM 821 CA LYS A 78 17.319 -12.750 -1.051 1.00 0.00 C ATOM 822 C LYS A 78 16.485 -11.877 -0.120 1.00 0.00 C ATOM 823 O LYS A 78 16.819 -11.707 1.052 1.00 0.00 O ATOM 824 CB LYS A 78 17.397 -14.173 -0.493 1.00 0.00 C ATOM 825 CG LYS A 78 16.196 -14.986 -0.983 1.00 0.00 C ATOM 826 CD LYS A 78 16.578 -16.468 -1.039 1.00 0.00 C ATOM 827 CE LYS A 78 15.388 -17.283 -1.542 1.00 0.00 C ATOM 828 NZ LYS A 78 15.817 -18.685 -1.802 1.00 0.00 N ATOM 0 H LYS A 78 19.403 -12.788 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 78 16.843 -12.770 -2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 78 18.325 -14.649 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.410 -14.146 0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.347 -14.842 -0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.886 -14.641 -1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.434 -16.609 -1.699 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.878 -16.815 -0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.586 -17.268 -0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.990 -16.839 -2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.006 -19.238 -2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.568 -18.690 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.177 -19.107 -0.922 1.00 0.00 H new ATOM 842 N PHE A 79 15.402 -11.325 -0.656 1.00 0.00 N ATOM 843 CA PHE A 79 14.528 -10.462 0.129 1.00 0.00 C ATOM 844 C PHE A 79 13.936 -11.225 1.307 1.00 0.00 C ATOM 845 O PHE A 79 13.565 -10.633 2.313 1.00 0.00 O ATOM 846 CB PHE A 79 13.406 -9.919 -0.754 1.00 0.00 C ATOM 847 CG PHE A 79 12.437 -11.029 -1.081 1.00 0.00 C ATOM 848 CD1 PHE A 79 11.280 -11.203 -0.312 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.697 -11.886 -2.156 1.00 0.00 C ATOM 850 CE1 PHE A 79 10.383 -12.233 -0.622 1.00 0.00 C ATOM 851 CE2 PHE A 79 11.802 -12.915 -2.466 1.00 0.00 C ATOM 852 CZ PHE A 79 10.644 -13.089 -1.698 1.00 0.00 C ATOM 0 H PHE A 79 15.110 -11.459 -1.624 1.00 0.00 H new ATOM 0 HA PHE A 79 15.118 -9.631 0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.887 -9.108 -0.243 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.821 -9.503 -1.672 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.079 -10.544 0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 79 13.591 -11.753 -2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.489 -12.367 -0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 79 12.004 -13.575 -3.297 1.00 0.00 H new ATOM 0 HZ PHE A 79 9.952 -13.884 -1.936 1.00 0.00 H new ATOM 862 N ILE A 80 13.845 -12.542 1.176 1.00 0.00 N ATOM 863 CA ILE A 80 13.295 -13.366 2.244 1.00 0.00 C ATOM 864 C ILE A 80 14.162 -13.271 3.498 1.00 0.00 C ATOM 865 O ILE A 80 13.651 -13.232 4.617 1.00 0.00 O ATOM 866 CB ILE A 80 13.226 -14.819 1.784 1.00 0.00 C ATOM 867 CG1 ILE A 80 12.179 -14.951 0.675 1.00 0.00 C ATOM 868 CG2 ILE A 80 12.825 -15.710 2.956 1.00 0.00 C ATOM 869 CD1 ILE A 80 12.290 -16.322 -0.014 1.00 0.00 C ATOM 0 H ILE A 80 14.142 -13.059 0.348 1.00 0.00 H new ATOM 0 HA ILE A 80 12.294 -13.005 2.482 1.00 0.00 H new ATOM 0 HB ILE A 80 14.203 -15.125 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.180 -14.828 1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 80 12.317 -14.157 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.776 -16.747 2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 80 13.563 -15.618 3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.848 -15.402 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.538 -16.397 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 80 13.283 -16.430 -0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.129 -17.112 0.719 1.00 0.00 H new ATOM 881 N TYR A 81 15.470 -13.247 3.295 1.00 0.00 N ATOM 882 CA TYR A 81 16.407 -13.168 4.411 1.00 0.00 C ATOM 883 C TYR A 81 16.621 -11.716 4.842 1.00 0.00 C ATOM 884 O TYR A 81 17.433 -11.436 5.731 1.00 0.00 O ATOM 885 CB TYR A 81 17.747 -13.791 4.014 1.00 0.00 C ATOM 886 CG TYR A 81 17.535 -15.221 3.573 1.00 0.00 C ATOM 887 CD1 TYR A 81 18.376 -15.784 2.607 1.00 0.00 C ATOM 888 CD2 TYR A 81 16.495 -15.986 4.123 1.00 0.00 C ATOM 889 CE1 TYR A 81 18.181 -17.107 2.192 1.00 0.00 C ATOM 890 CE2 TYR A 81 16.302 -17.307 3.708 1.00 0.00 C ATOM 891 CZ TYR A 81 17.143 -17.868 2.744 1.00 0.00 C ATOM 892 OH TYR A 81 16.948 -19.170 2.335 1.00 0.00 O ATOM 0 H TYR A 81 15.908 -13.281 2.374 1.00 0.00 H new ATOM 0 HA TYR A 81 15.985 -13.720 5.251 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.202 -13.216 3.208 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.437 -13.759 4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 81 19.177 -15.197 2.181 1.00 0.00 H new ATOM 0 HD2 TYR A 81 15.843 -15.554 4.868 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.831 -17.541 1.446 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.502 -17.894 4.133 1.00 0.00 H new ATOM 0 HH TYR A 81 16.187 -19.554 2.818 1.00 0.00 H new ATOM 902 N VAL A 82 15.885 -10.796 4.214 1.00 0.00 N ATOM 903 CA VAL A 82 15.997 -9.384 4.540 1.00 0.00 C ATOM 904 C VAL A 82 14.630 -8.792 4.876 1.00 0.00 C ATOM 905 O VAL A 82 13.642 -9.045 4.192 1.00 0.00 O ATOM 906 CB VAL A 82 16.609 -8.633 3.358 1.00 0.00 C ATOM 907 CG1 VAL A 82 16.670 -7.139 3.685 1.00 0.00 C ATOM 908 CG2 VAL A 82 18.026 -9.164 3.092 1.00 0.00 C ATOM 0 H VAL A 82 15.209 -11.009 3.480 1.00 0.00 H new ATOM 0 HA VAL A 82 16.640 -9.280 5.414 1.00 0.00 H new ATOM 0 HB VAL A 82 15.996 -8.785 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 82 17.106 -6.600 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 82 15.663 -6.766 3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 82 17.284 -6.986 4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 82 18.463 -8.629 2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 82 18.643 -9.013 3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 82 17.978 -10.228 2.861 1.00 0.00 H new ATOM 918 N ASP A 83 14.588 -7.996 5.931 1.00 0.00 N ATOM 919 CA ASP A 83 13.343 -7.363 6.343 1.00 0.00 C ATOM 920 C ASP A 83 13.408 -5.860 6.108 1.00 0.00 C ATOM 921 O ASP A 83 14.447 -5.237 6.299 1.00 0.00 O ATOM 922 CB ASP A 83 13.068 -7.644 7.821 1.00 0.00 C ATOM 923 CG ASP A 83 12.697 -9.113 8.009 1.00 0.00 C ATOM 924 OD1 ASP A 83 12.453 -9.773 7.013 1.00 0.00 O ATOM 925 OD2 ASP A 83 12.655 -9.552 9.146 1.00 0.00 O ATOM 0 H ASP A 83 15.394 -7.773 6.515 1.00 0.00 H new ATOM 0 HA ASP A 83 12.532 -7.779 5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.949 -7.403 8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.259 -7.007 8.177 1.00 0.00 H new ATOM 930 N VAL A 84 12.290 -5.283 5.690 1.00 0.00 N ATOM 931 CA VAL A 84 12.234 -3.847 5.429 1.00 0.00 C ATOM 932 C VAL A 84 11.835 -3.083 6.689 1.00 0.00 C ATOM 933 O VAL A 84 10.779 -3.329 7.272 1.00 0.00 O ATOM 934 CB VAL A 84 11.228 -3.548 4.312 1.00 0.00 C ATOM 935 CG1 VAL A 84 9.825 -4.030 4.711 1.00 0.00 C ATOM 936 CG2 VAL A 84 11.194 -2.040 4.041 1.00 0.00 C ATOM 0 H VAL A 84 11.415 -5.780 5.525 1.00 0.00 H new ATOM 0 HA VAL A 84 13.227 -3.522 5.118 1.00 0.00 H new ATOM 0 HB VAL A 84 11.538 -4.076 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.122 -3.810 3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.847 -5.105 4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.509 -3.517 5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.478 -1.829 3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.895 -1.514 4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.185 -1.703 3.736 1.00 0.00 H new ATOM 946 N ILE A 85 12.685 -2.149 7.101 1.00 0.00 N ATOM 947 CA ILE A 85 12.410 -1.348 8.284 1.00 0.00 C ATOM 948 C ILE A 85 12.561 0.140 7.976 1.00 0.00 C ATOM 949 O ILE A 85 13.232 0.523 7.016 1.00 0.00 O ATOM 950 CB ILE A 85 13.358 -1.739 9.423 1.00 0.00 C ATOM 951 CG1 ILE A 85 14.811 -1.519 8.988 1.00 0.00 C ATOM 952 CG2 ILE A 85 13.154 -3.216 9.767 1.00 0.00 C ATOM 953 CD1 ILE A 85 15.723 -1.566 10.210 1.00 0.00 C ATOM 0 H ILE A 85 13.565 -1.930 6.635 1.00 0.00 H new ATOM 0 HA ILE A 85 11.382 -1.539 8.592 1.00 0.00 H new ATOM 0 HB ILE A 85 13.144 -1.122 10.296 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.107 -2.285 8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.909 -0.557 8.485 1.00 0.00 H new ATOM 0 HG21 ILE A 85 13.827 -3.497 10.577 1.00 0.00 H new ATOM 0 HG22 ILE A 85 12.122 -3.378 10.080 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.367 -3.827 8.890 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.756 -1.409 9.899 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.432 -0.784 10.911 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.633 -2.539 10.694 1.00 0.00 H new ATOM 965 N SER A 86 11.941 0.977 8.798 1.00 0.00 N ATOM 966 CA SER A 86 12.023 2.419 8.604 1.00 0.00 C ATOM 967 C SER A 86 13.215 2.993 9.366 1.00 0.00 C ATOM 968 O SER A 86 13.343 2.797 10.575 1.00 0.00 O ATOM 969 CB SER A 86 10.737 3.086 9.091 1.00 0.00 C ATOM 970 OG SER A 86 10.882 4.498 9.011 1.00 0.00 O ATOM 0 H SER A 86 11.380 0.686 9.599 1.00 0.00 H new ATOM 0 HA SER A 86 12.154 2.617 7.540 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.892 2.760 8.484 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.525 2.788 10.118 1.00 0.00 H new ATOM 0 HG SER A 86 10.059 4.929 9.321 1.00 0.00 H new ATOM 976 N GLU A 87 14.086 3.698 8.651 1.00 0.00 N ATOM 977 CA GLU A 87 15.265 4.292 9.273 1.00 0.00 C ATOM 978 C GLU A 87 16.096 3.226 9.979 1.00 0.00 C ATOM 979 O GLU A 87 16.081 2.095 9.524 1.00 0.00 O ATOM 980 CB GLU A 87 14.839 5.362 10.281 1.00 0.00 C ATOM 981 CG GLU A 87 14.931 6.744 9.631 1.00 0.00 C ATOM 982 CD GLU A 87 16.393 7.128 9.427 1.00 0.00 C ATOM 983 OE1 GLU A 87 17.061 7.379 10.417 1.00 0.00 O ATOM 984 OE2 GLU A 87 16.822 7.164 8.287 1.00 0.00 O ATOM 0 H GLU A 87 14.000 3.871 7.650 1.00 0.00 H new ATOM 0 HA GLU A 87 15.873 4.749 8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.819 5.174 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.478 5.320 11.163 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.410 6.740 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.436 7.484 10.260 1.00 0.00 H new