USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -58:sc= 1.26 USER MOD Set 1.2: A 57 SER OG : rot -81:sc= 1.15 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= -0.402 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -164:sc= 0.923 (180deg=-0.0324) USER MOD Set 3.2: A 12 THR OG1 : rot 159:sc= 0.8 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.07 (180deg=0.628!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.18) USER MOD Single : A 14 THR OG1 : rot 39:sc= 0.59 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 22 THR OG1 : rot -87:sc= 1.09 USER MOD Single : A 25 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.7!) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0.893 (180deg=0.842) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.14) USER MOD Single : A 31 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.93) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0119) USER MOD Single : A 40 GLN : amide:sc= -0.0143 K(o=-0.014,f=-0.54) USER MOD Single : A 41 GLN : amide:sc= 1.01 K(o=1,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.3! C(o=-1.3!,f=-3.2!) USER MOD Single : A 59 TYR OH : rot -168:sc= 1.46 USER MOD Single : A 60 ASN : amide:sc= -0.16 K(o=-0.16,f=-0.84) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.073 51.962 19.337 1.00 0.00 N ATOM 2 CA MET A 1 33.145 52.485 20.710 1.00 0.00 C ATOM 3 C MET A 1 34.601 52.648 21.152 1.00 0.00 C ATOM 4 O MET A 1 35.487 52.067 20.531 1.00 0.00 O ATOM 5 CB MET A 1 32.300 51.640 21.659 1.00 0.00 C ATOM 6 CG MET A 1 32.707 50.178 21.821 1.00 0.00 C ATOM 7 SD MET A 1 34.181 49.857 22.820 1.00 0.00 S ATOM 8 CE MET A 1 34.252 48.054 22.670 1.00 0.00 C ATOM 0 H1 MET A 1 32.174 51.455 19.205 1.00 0.00 H new ATOM 0 H2 MET A 1 33.128 52.751 18.662 1.00 0.00 H new ATOM 0 H3 MET A 1 33.866 51.309 19.172 1.00 0.00 H new ATOM 0 HA MET A 1 32.711 53.484 20.738 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.320 52.110 22.642 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.267 51.669 21.313 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.870 49.638 22.264 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.869 49.757 20.829 1.00 0.00 H new ATOM 0 HE1 MET A 1 35.108 47.676 23.229 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.336 47.619 23.071 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.355 47.780 21.620 1.00 0.00 H new ATOM 20 N GLN A 2 34.872 53.448 22.179 1.00 0.00 N ATOM 21 CA GLN A 2 36.215 53.836 22.558 1.00 0.00 C ATOM 22 C GLN A 2 36.724 53.157 23.832 1.00 0.00 C ATOM 23 O GLN A 2 36.047 53.156 24.857 1.00 0.00 O ATOM 24 CB GLN A 2 36.327 55.354 22.661 1.00 0.00 C ATOM 25 CG GLN A 2 36.113 56.031 21.311 1.00 0.00 C ATOM 26 CD GLN A 2 36.374 57.536 21.392 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.483 58.010 21.156 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.386 58.340 21.776 1.00 0.00 N ATOM 0 H GLN A 2 34.149 53.848 22.777 1.00 0.00 H new ATOM 0 HA GLN A 2 36.867 53.481 21.760 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.591 55.725 23.374 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.310 55.620 23.049 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.776 55.585 20.570 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.092 55.855 20.972 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.463 57.955 21.974 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.552 59.342 21.873 1.00 0.00 H new ATOM 37 N ILE A 3 37.948 52.640 23.769 1.00 0.00 N ATOM 38 CA ILE A 3 38.665 52.022 24.867 1.00 0.00 C ATOM 39 C ILE A 3 40.011 52.703 25.125 1.00 0.00 C ATOM 40 O ILE A 3 40.416 53.597 24.386 1.00 0.00 O ATOM 41 CB ILE A 3 38.820 50.519 24.654 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.716 50.177 23.467 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.456 49.843 24.549 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.106 48.704 23.384 1.00 0.00 C ATOM 0 H ILE A 3 38.489 52.644 22.904 1.00 0.00 H new ATOM 0 HA ILE A 3 38.065 52.162 25.766 1.00 0.00 H new ATOM 0 HB ILE A 3 39.328 50.124 25.534 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.205 50.459 22.547 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.623 50.779 23.525 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.591 48.772 24.397 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.895 50.011 25.468 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.906 50.262 23.706 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.742 48.545 22.514 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.647 48.420 24.286 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.207 48.094 23.293 1.00 0.00 H new ATOM 56 N PHE A 4 40.734 52.237 26.139 1.00 0.00 N ATOM 57 CA PHE A 4 42.103 52.613 26.431 1.00 0.00 C ATOM 58 C PHE A 4 43.080 51.447 26.267 1.00 0.00 C ATOM 59 O PHE A 4 42.727 50.289 26.477 1.00 0.00 O ATOM 60 CB PHE A 4 42.201 53.182 27.843 1.00 0.00 C ATOM 61 CG PHE A 4 41.311 54.371 28.118 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.594 55.606 27.523 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.218 54.254 28.986 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.796 56.722 27.801 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.422 55.370 29.269 1.00 0.00 C ATOM 66 CZ PHE A 4 39.716 56.607 28.683 1.00 0.00 C ATOM 0 H PHE A 4 40.361 51.559 26.804 1.00 0.00 H new ATOM 0 HA PHE A 4 42.387 53.375 25.706 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.956 52.393 28.554 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.235 53.471 28.031 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.431 55.698 26.847 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.989 53.300 29.438 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.014 57.672 27.335 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.581 55.277 29.940 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.110 57.471 28.911 1.00 0.00 H new ATOM 76 N VAL A 5 44.336 51.758 25.961 1.00 0.00 N ATOM 77 CA VAL A 5 45.465 50.850 26.007 1.00 0.00 C ATOM 78 C VAL A 5 46.614 51.534 26.751 1.00 0.00 C ATOM 79 O VAL A 5 46.998 52.642 26.382 1.00 0.00 O ATOM 80 CB VAL A 5 45.925 50.409 24.621 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.962 49.293 24.713 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.786 49.906 23.738 1.00 0.00 C ATOM 0 H VAL A 5 44.601 52.696 25.661 1.00 0.00 H new ATOM 0 HA VAL A 5 45.150 49.947 26.530 1.00 0.00 H new ATOM 0 HB VAL A 5 46.352 51.304 24.168 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.271 49.000 23.710 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.829 49.647 25.271 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.528 48.434 25.225 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.182 49.609 22.767 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.309 49.049 24.213 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.053 50.701 23.602 1.00 0.00 H new ATOM 92 N LYS A 6 47.182 50.888 27.765 1.00 0.00 N ATOM 93 CA LYS A 6 48.320 51.368 28.524 1.00 0.00 C ATOM 94 C LYS A 6 49.559 50.505 28.278 1.00 0.00 C ATOM 95 O LYS A 6 49.457 49.282 28.213 1.00 0.00 O ATOM 96 CB LYS A 6 47.932 51.464 29.996 1.00 0.00 C ATOM 97 CG LYS A 6 49.009 52.140 30.840 1.00 0.00 C ATOM 98 CD LYS A 6 48.611 52.322 32.302 1.00 0.00 C ATOM 99 CE LYS A 6 47.507 53.351 32.531 1.00 0.00 C ATOM 100 NZ LYS A 6 47.964 54.720 32.244 1.00 0.00 N ATOM 0 H LYS A 6 46.845 49.981 28.089 1.00 0.00 H new ATOM 0 HA LYS A 6 48.596 52.367 28.187 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.000 52.022 30.087 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.744 50.463 30.385 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.923 51.548 30.791 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.238 53.115 30.410 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.284 51.361 32.699 1.00 0.00 H new ATOM 0 HD3 LYS A 6 49.492 52.619 32.872 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.652 53.113 31.898 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.164 53.292 33.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 47.298 55.402 32.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.909 54.864 32.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.008 54.863 31.215 1.00 0.00 H new ATOM 114 N THR A 7 50.730 51.127 28.171 1.00 0.00 N ATOM 115 CA THR A 7 52.004 50.471 27.955 1.00 0.00 C ATOM 116 C THR A 7 53.025 50.866 29.023 1.00 0.00 C ATOM 117 O THR A 7 52.997 51.970 29.562 1.00 0.00 O ATOM 118 CB THR A 7 52.503 50.704 26.532 1.00 0.00 C ATOM 119 OG1 THR A 7 53.812 50.207 26.368 1.00 0.00 O ATOM 120 CG2 THR A 7 52.473 52.167 26.099 1.00 0.00 C ATOM 0 H THR A 7 50.814 52.141 28.236 1.00 0.00 H new ATOM 0 HA THR A 7 51.860 49.396 28.061 1.00 0.00 H new ATOM 0 HB THR A 7 51.806 50.161 25.894 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.109 50.366 25.448 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.842 52.252 25.077 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.450 52.540 26.147 1.00 0.00 H new ATOM 0 HG23 THR A 7 53.105 52.756 26.763 1.00 0.00 H new ATOM 128 N LEU A 8 53.945 49.962 29.350 1.00 0.00 N ATOM 129 CA LEU A 8 54.923 50.093 30.411 1.00 0.00 C ATOM 130 C LEU A 8 55.931 51.225 30.199 1.00 0.00 C ATOM 131 O LEU A 8 56.597 51.625 31.151 1.00 0.00 O ATOM 132 CB LEU A 8 55.633 48.755 30.589 1.00 0.00 C ATOM 133 CG LEU A 8 54.732 47.620 31.067 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.415 46.273 30.849 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.385 47.745 32.548 1.00 0.00 C ATOM 0 H LEU A 8 54.027 49.075 28.853 1.00 0.00 H new ATOM 0 HA LEU A 8 54.383 50.367 31.317 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.084 48.468 29.639 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.447 48.882 31.303 1.00 0.00 H new ATOM 0 HG LEU A 8 53.813 47.685 30.484 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.760 45.473 31.195 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.623 46.138 29.788 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.350 46.244 31.409 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.742 46.915 32.842 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.300 47.723 33.139 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.864 48.687 32.721 1.00 0.00 H new ATOM 147 N THR A 9 55.993 51.812 29.007 1.00 0.00 N ATOM 148 CA THR A 9 56.712 53.039 28.731 1.00 0.00 C ATOM 149 C THR A 9 56.171 54.250 29.495 1.00 0.00 C ATOM 150 O THR A 9 56.833 55.286 29.526 1.00 0.00 O ATOM 151 CB THR A 9 56.649 53.385 27.246 1.00 0.00 C ATOM 152 OG1 THR A 9 55.299 53.601 26.901 1.00 0.00 O ATOM 153 CG2 THR A 9 57.212 52.293 26.341 1.00 0.00 C ATOM 0 H THR A 9 55.527 51.429 28.184 1.00 0.00 H new ATOM 0 HA THR A 9 57.734 52.843 29.056 1.00 0.00 H new ATOM 0 HB THR A 9 57.264 54.272 27.094 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.237 53.827 25.949 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.135 52.607 25.300 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.259 52.118 26.590 1.00 0.00 H new ATOM 0 HG23 THR A 9 56.646 51.373 26.485 1.00 0.00 H new ATOM 161 N GLY A 10 54.985 54.138 30.085 1.00 0.00 N ATOM 162 CA GLY A 10 54.253 55.198 30.748 1.00 0.00 C ATOM 163 C GLY A 10 53.180 55.860 29.880 1.00 0.00 C ATOM 164 O GLY A 10 52.404 56.662 30.395 1.00 0.00 O ATOM 0 H GLY A 10 54.484 53.250 30.111 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.781 54.793 31.643 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.959 55.960 31.077 1.00 0.00 H new ATOM 168 N LYS A 11 53.097 55.510 28.600 1.00 0.00 N ATOM 169 CA LYS A 11 52.147 56.065 27.657 1.00 0.00 C ATOM 170 C LYS A 11 50.780 55.384 27.739 1.00 0.00 C ATOM 171 O LYS A 11 50.680 54.177 27.948 1.00 0.00 O ATOM 172 CB LYS A 11 52.738 56.015 26.251 1.00 0.00 C ATOM 173 CG LYS A 11 51.962 56.877 25.259 1.00 0.00 C ATOM 174 CD LYS A 11 52.432 56.734 23.814 1.00 0.00 C ATOM 175 CE LYS A 11 53.861 57.224 23.594 1.00 0.00 C ATOM 176 NZ LYS A 11 54.203 57.165 22.165 1.00 0.00 N ATOM 0 H LYS A 11 53.711 54.810 28.183 1.00 0.00 H new ATOM 0 HA LYS A 11 51.967 57.107 27.920 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.775 56.349 26.284 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.747 54.983 25.901 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.905 56.615 25.314 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.047 57.922 25.557 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.365 55.687 23.519 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.759 57.292 23.163 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.963 58.246 23.958 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.556 56.611 24.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 55.189 57.469 22.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.091 56.190 21.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.571 57.795 21.631 1.00 0.00 H new ATOM 190 N THR A 12 49.727 56.156 27.487 1.00 0.00 N ATOM 191 CA THR A 12 48.366 55.689 27.315 1.00 0.00 C ATOM 192 C THR A 12 47.820 56.142 25.960 1.00 0.00 C ATOM 193 O THR A 12 48.074 57.258 25.512 1.00 0.00 O ATOM 194 CB THR A 12 47.472 56.165 28.456 1.00 0.00 C ATOM 195 OG1 THR A 12 48.099 55.952 29.701 1.00 0.00 O ATOM 196 CG2 THR A 12 46.143 55.418 28.513 1.00 0.00 C ATOM 0 H THR A 12 49.809 57.168 27.394 1.00 0.00 H new ATOM 0 HA THR A 12 48.370 54.599 27.338 1.00 0.00 H new ATOM 0 HB THR A 12 47.295 57.223 28.265 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.698 56.541 30.374 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.548 55.798 29.343 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.601 55.568 27.579 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.330 54.354 28.657 1.00 0.00 H new ATOM 204 N ILE A 13 47.057 55.272 25.304 1.00 0.00 N ATOM 205 CA ILE A 13 46.404 55.466 24.026 1.00 0.00 C ATOM 206 C ILE A 13 44.896 55.284 24.215 1.00 0.00 C ATOM 207 O ILE A 13 44.481 54.391 24.950 1.00 0.00 O ATOM 208 CB ILE A 13 46.945 54.470 23.004 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.460 54.512 22.821 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.245 54.589 21.653 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.031 55.815 22.270 1.00 0.00 C ATOM 0 H ILE A 13 46.869 54.345 25.686 1.00 0.00 H new ATOM 0 HA ILE A 13 46.603 56.471 23.653 1.00 0.00 H new ATOM 0 HB ILE A 13 46.715 53.496 23.435 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.928 54.312 23.785 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.748 53.701 22.152 1.00 0.00 H new ATOM 0 HG21 ILE A 13 46.665 53.860 20.960 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.179 54.399 21.778 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.390 55.593 21.255 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.114 55.729 22.183 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.602 56.014 21.288 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.785 56.634 22.946 1.00 0.00 H new ATOM 223 N THR A 14 44.073 56.067 23.524 1.00 0.00 N ATOM 224 CA THR A 14 42.665 55.787 23.329 1.00 0.00 C ATOM 225 C THR A 14 42.367 55.530 21.851 1.00 0.00 C ATOM 226 O THR A 14 42.956 56.181 20.990 1.00 0.00 O ATOM 227 CB THR A 14 41.775 56.861 23.950 1.00 0.00 C ATOM 228 OG1 THR A 14 40.415 56.502 23.851 1.00 0.00 O ATOM 229 CG2 THR A 14 41.925 58.250 23.336 1.00 0.00 C ATOM 0 H THR A 14 44.379 56.931 23.077 1.00 0.00 H new ATOM 0 HA THR A 14 42.421 54.869 23.864 1.00 0.00 H new ATOM 0 HB THR A 14 42.109 56.917 24.986 1.00 0.00 H new ATOM 0 HG1 THR A 14 40.318 55.541 24.014 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.254 58.945 23.841 1.00 0.00 H new ATOM 0 HG22 THR A 14 42.954 58.590 23.452 1.00 0.00 H new ATOM 0 HG23 THR A 14 41.674 58.208 22.276 1.00 0.00 H new ATOM 237 N LEU A 15 41.513 54.557 21.548 1.00 0.00 N ATOM 238 CA LEU A 15 41.153 54.210 20.188 1.00 0.00 C ATOM 239 C LEU A 15 39.747 53.623 20.047 1.00 0.00 C ATOM 240 O LEU A 15 39.179 53.088 20.997 1.00 0.00 O ATOM 241 CB LEU A 15 42.218 53.334 19.535 1.00 0.00 C ATOM 242 CG LEU A 15 42.227 51.846 19.875 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.232 51.131 18.976 1.00 0.00 C ATOM 244 CD2 LEU A 15 42.623 51.558 21.320 1.00 0.00 C ATOM 0 H LEU A 15 41.049 53.984 22.253 1.00 0.00 H new ATOM 0 HA LEU A 15 41.117 55.151 19.640 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.113 53.429 18.454 1.00 0.00 H new ATOM 0 HB3 LEU A 15 43.194 53.743 19.797 1.00 0.00 H new ATOM 0 HG LEU A 15 41.208 51.491 19.724 1.00 0.00 H new ATOM 0 HD11 LEU A 15 43.242 50.068 19.215 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.947 51.266 17.933 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.226 51.549 19.137 1.00 0.00 H new ATOM 0 HD21 LEU A 15 42.609 50.482 21.494 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.626 51.942 21.506 1.00 0.00 H new ATOM 0 HD23 LEU A 15 41.918 52.044 21.994 1.00 0.00 H new ATOM 256 N GLU A 16 39.216 53.735 18.832 1.00 0.00 N ATOM 257 CA GLU A 16 37.885 53.343 18.416 1.00 0.00 C ATOM 258 C GLU A 16 37.875 51.941 17.802 1.00 0.00 C ATOM 259 O GLU A 16 38.562 51.694 16.814 1.00 0.00 O ATOM 260 CB GLU A 16 37.390 54.428 17.464 1.00 0.00 C ATOM 261 CG GLU A 16 36.174 54.126 16.593 1.00 0.00 C ATOM 262 CD GLU A 16 34.909 53.764 17.374 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.251 52.772 16.993 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.517 54.465 18.332 1.00 0.00 O ATOM 0 H GLU A 16 39.751 54.133 18.060 1.00 0.00 H new ATOM 0 HA GLU A 16 37.207 53.267 19.266 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.162 55.313 18.058 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.215 54.692 16.803 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.965 54.995 15.969 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.419 53.303 15.921 1.00 0.00 H new ATOM 271 N VAL A 17 37.103 51.026 18.382 1.00 0.00 N ATOM 272 CA VAL A 17 36.992 49.621 18.046 1.00 0.00 C ATOM 273 C VAL A 17 35.540 49.138 18.075 1.00 0.00 C ATOM 274 O VAL A 17 34.684 49.775 18.684 1.00 0.00 O ATOM 275 CB VAL A 17 37.816 48.761 19.000 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.313 48.954 18.775 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.501 49.021 20.470 1.00 0.00 C ATOM 0 H VAL A 17 36.493 51.274 19.161 1.00 0.00 H new ATOM 0 HA VAL A 17 37.377 49.516 17.032 1.00 0.00 H new ATOM 0 HB VAL A 17 37.536 47.733 18.772 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.869 48.327 19.471 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.566 48.674 17.752 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.574 49.999 18.940 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.121 48.377 21.094 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.707 50.065 20.707 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.449 48.807 20.660 1.00 0.00 H new ATOM 287 N GLU A 18 35.251 48.000 17.451 1.00 0.00 N ATOM 288 CA GLU A 18 33.968 47.334 17.555 1.00 0.00 C ATOM 289 C GLU A 18 34.016 46.149 18.522 1.00 0.00 C ATOM 290 O GLU A 18 35.038 45.470 18.586 1.00 0.00 O ATOM 291 CB GLU A 18 33.487 46.855 16.188 1.00 0.00 C ATOM 292 CG GLU A 18 33.283 47.956 15.151 1.00 0.00 C ATOM 293 CD GLU A 18 32.228 48.998 15.528 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.301 48.703 16.313 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.340 50.138 15.027 1.00 0.00 O ATOM 0 H GLU A 18 35.916 47.512 16.851 1.00 0.00 H new ATOM 0 HA GLU A 18 33.265 48.069 17.947 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.209 46.138 15.797 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.546 46.321 16.318 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.234 48.463 14.987 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.999 47.497 14.204 1.00 0.00 H new ATOM 302 N PRO A 19 32.936 45.800 19.215 1.00 0.00 N ATOM 303 CA PRO A 19 32.892 44.645 20.088 1.00 0.00 C ATOM 304 C PRO A 19 33.099 43.304 19.381 1.00 0.00 C ATOM 305 O PRO A 19 33.414 42.307 20.026 1.00 0.00 O ATOM 306 CB PRO A 19 31.531 44.706 20.776 1.00 0.00 C ATOM 307 CG PRO A 19 30.656 45.491 19.802 1.00 0.00 C ATOM 308 CD PRO A 19 31.658 46.483 19.219 1.00 0.00 C ATOM 0 HA PRO A 19 33.724 44.690 20.791 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.131 43.708 20.956 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.595 45.203 21.744 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.220 44.850 19.035 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.830 45.992 20.306 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.371 46.781 18.211 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.703 47.392 19.819 1.00 0.00 H new ATOM 316 N SER A 20 32.938 43.281 18.061 1.00 0.00 N ATOM 317 CA SER A 20 33.214 42.161 17.184 1.00 0.00 C ATOM 318 C SER A 20 34.657 42.093 16.679 1.00 0.00 C ATOM 319 O SER A 20 34.987 41.151 15.962 1.00 0.00 O ATOM 320 CB SER A 20 32.220 42.175 16.027 1.00 0.00 C ATOM 321 OG SER A 20 32.152 43.442 15.413 1.00 0.00 O ATOM 0 H SER A 20 32.591 44.094 17.551 1.00 0.00 H new ATOM 0 HA SER A 20 33.090 41.255 17.777 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.511 41.428 15.288 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.232 41.894 16.393 1.00 0.00 H new ATOM 0 HG SER A 20 31.507 43.414 14.675 1.00 0.00 H new ATOM 327 N ASP A 21 35.533 43.025 17.042 1.00 0.00 N ATOM 328 CA ASP A 21 36.924 43.002 16.637 1.00 0.00 C ATOM 329 C ASP A 21 37.678 41.856 17.315 1.00 0.00 C ATOM 330 O ASP A 21 37.653 41.719 18.536 1.00 0.00 O ATOM 331 CB ASP A 21 37.621 44.330 16.920 1.00 0.00 C ATOM 332 CG ASP A 21 37.203 45.495 16.020 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.553 45.275 14.975 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.599 46.651 16.282 1.00 0.00 O ATOM 0 H ASP A 21 35.290 43.822 17.631 1.00 0.00 H new ATOM 0 HA ASP A 21 36.937 42.839 15.559 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.430 44.607 17.957 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.697 44.185 16.821 1.00 0.00 H new ATOM 339 N THR A 22 38.365 41.033 16.528 1.00 0.00 N ATOM 340 CA THR A 22 39.215 39.950 16.982 1.00 0.00 C ATOM 341 C THR A 22 40.622 40.461 17.299 1.00 0.00 C ATOM 342 O THR A 22 41.098 41.391 16.651 1.00 0.00 O ATOM 343 CB THR A 22 39.169 38.797 15.983 1.00 0.00 C ATOM 344 OG1 THR A 22 39.195 37.550 16.641 1.00 0.00 O ATOM 345 CG2 THR A 22 40.252 38.806 14.909 1.00 0.00 C ATOM 0 H THR A 22 38.339 41.111 15.511 1.00 0.00 H new ATOM 0 HA THR A 22 38.840 39.547 17.923 1.00 0.00 H new ATOM 0 HB THR A 22 38.223 38.950 15.463 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.124 37.284 16.802 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.123 37.943 14.255 1.00 0.00 H new ATOM 0 HG22 THR A 22 40.174 39.721 14.322 1.00 0.00 H new ATOM 0 HG23 THR A 22 41.233 38.760 15.381 1.00 0.00 H new ATOM 353 N ILE A 23 41.308 39.899 18.290 1.00 0.00 N ATOM 354 CA ILE A 23 42.394 40.615 18.928 1.00 0.00 C ATOM 355 C ILE A 23 43.595 40.885 18.020 1.00 0.00 C ATOM 356 O ILE A 23 44.197 41.949 18.149 1.00 0.00 O ATOM 357 CB ILE A 23 42.800 40.011 20.269 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.631 39.660 21.186 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.763 40.924 21.021 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.590 40.752 21.415 1.00 0.00 C ATOM 0 H ILE A 23 41.131 38.965 18.660 1.00 0.00 H new ATOM 0 HA ILE A 23 41.978 41.599 19.142 1.00 0.00 H new ATOM 0 HB ILE A 23 43.291 39.074 20.006 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.124 38.788 20.773 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.035 39.366 22.155 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.032 40.464 21.972 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.662 41.076 20.424 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.284 41.885 21.206 1.00 0.00 H new ATOM 0 HD11 ILE A 23 39.813 40.380 22.083 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.068 41.622 21.865 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.144 41.035 20.462 1.00 0.00 H new ATOM 372 N GLU A 24 43.905 40.063 17.021 1.00 0.00 N ATOM 373 CA GLU A 24 44.976 40.388 16.101 1.00 0.00 C ATOM 374 C GLU A 24 44.679 41.570 15.176 1.00 0.00 C ATOM 375 O GLU A 24 45.607 42.232 14.715 1.00 0.00 O ATOM 376 CB GLU A 24 45.480 39.182 15.313 1.00 0.00 C ATOM 377 CG GLU A 24 44.477 38.563 14.343 1.00 0.00 C ATOM 378 CD GLU A 24 45.179 37.527 13.464 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.377 37.791 12.258 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.550 36.452 13.984 1.00 0.00 O ATOM 0 H GLU A 24 43.433 39.179 16.834 1.00 0.00 H new ATOM 0 HA GLU A 24 45.786 40.713 16.754 1.00 0.00 H new ATOM 0 HB2 GLU A 24 46.365 39.481 14.751 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.796 38.415 16.020 1.00 0.00 H new ATOM 0 HG2 GLU A 24 43.664 38.093 14.897 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.032 39.340 13.721 1.00 0.00 H new ATOM 387 N ASN A 25 43.411 41.899 14.949 1.00 0.00 N ATOM 388 CA ASN A 25 43.030 43.147 14.319 1.00 0.00 C ATOM 389 C ASN A 25 43.186 44.330 15.277 1.00 0.00 C ATOM 390 O ASN A 25 43.652 45.385 14.853 1.00 0.00 O ATOM 391 CB ASN A 25 41.630 43.029 13.725 1.00 0.00 C ATOM 392 CG ASN A 25 41.227 44.325 13.017 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.307 45.021 13.440 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.917 44.703 11.944 1.00 0.00 N ATOM 0 H ASN A 25 42.622 41.303 15.199 1.00 0.00 H new ATOM 0 HA ASN A 25 43.711 43.351 13.492 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.599 42.199 13.019 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.913 42.803 14.515 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.683 45.574 11.468 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.680 44.121 11.597 1.00 0.00 H new ATOM 401 N VAL A 26 42.936 44.158 16.572 1.00 0.00 N ATOM 402 CA VAL A 26 43.228 45.175 17.562 1.00 0.00 C ATOM 403 C VAL A 26 44.734 45.431 17.647 1.00 0.00 C ATOM 404 O VAL A 26 45.143 46.590 17.642 1.00 0.00 O ATOM 405 CB VAL A 26 42.620 44.844 18.922 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.801 45.992 19.911 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.122 44.571 18.820 1.00 0.00 C ATOM 0 H VAL A 26 42.525 43.308 16.958 1.00 0.00 H new ATOM 0 HA VAL A 26 42.754 46.101 17.237 1.00 0.00 H new ATOM 0 HB VAL A 26 43.143 43.954 19.271 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.356 45.721 20.868 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.864 46.190 20.048 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.312 46.886 19.524 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.726 44.339 19.809 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.618 45.453 18.425 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.951 43.726 18.153 1.00 0.00 H new ATOM 417 N LYS A 27 45.572 44.400 17.589 1.00 0.00 N ATOM 418 CA LYS A 27 47.007 44.541 17.441 1.00 0.00 C ATOM 419 C LYS A 27 47.388 45.335 16.190 1.00 0.00 C ATOM 420 O LYS A 27 48.282 46.176 16.255 1.00 0.00 O ATOM 421 CB LYS A 27 47.710 43.187 17.397 1.00 0.00 C ATOM 422 CG LYS A 27 47.630 42.328 18.655 1.00 0.00 C ATOM 423 CD LYS A 27 48.321 40.990 18.405 1.00 0.00 C ATOM 424 CE LYS A 27 48.279 40.082 19.631 1.00 0.00 C ATOM 425 NZ LYS A 27 48.689 38.715 19.278 1.00 0.00 N ATOM 0 H LYS A 27 45.262 43.430 17.645 1.00 0.00 H new ATOM 0 HA LYS A 27 47.339 45.091 18.321 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.293 42.615 16.568 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.762 43.358 17.169 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.104 42.843 19.490 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.588 42.165 18.931 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.842 40.487 17.565 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.358 41.166 18.121 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.938 40.476 20.405 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.271 40.069 20.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.719 38.129 20.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.006 38.310 18.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.632 38.737 18.841 1.00 0.00 H new ATOM 439 N ALA A 28 46.719 45.115 15.062 1.00 0.00 N ATOM 440 CA ALA A 28 46.947 45.860 13.840 1.00 0.00 C ATOM 441 C ALA A 28 46.483 47.315 13.921 1.00 0.00 C ATOM 442 O ALA A 28 47.135 48.196 13.365 1.00 0.00 O ATOM 443 CB ALA A 28 46.287 45.118 12.680 1.00 0.00 C ATOM 0 H ALA A 28 45.994 44.403 14.976 1.00 0.00 H new ATOM 0 HA ALA A 28 48.023 45.919 13.676 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.452 45.670 11.754 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.721 44.122 12.591 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.216 45.032 12.865 1.00 0.00 H new ATOM 449 N LYS A 29 45.420 47.622 14.660 1.00 0.00 N ATOM 450 CA LYS A 29 44.995 48.981 14.928 1.00 0.00 C ATOM 451 C LYS A 29 45.995 49.718 15.820 1.00 0.00 C ATOM 452 O LYS A 29 46.268 50.891 15.578 1.00 0.00 O ATOM 453 CB LYS A 29 43.580 48.999 15.499 1.00 0.00 C ATOM 454 CG LYS A 29 42.539 48.590 14.462 1.00 0.00 C ATOM 455 CD LYS A 29 41.111 48.620 14.999 1.00 0.00 C ATOM 456 CE LYS A 29 40.141 48.216 13.892 1.00 0.00 C ATOM 457 NZ LYS A 29 38.740 48.204 14.339 1.00 0.00 N ATOM 0 H LYS A 29 44.824 46.917 15.094 1.00 0.00 H new ATOM 0 HA LYS A 29 44.971 49.524 13.983 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.525 48.324 16.353 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.351 49.999 15.868 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.611 49.256 13.602 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.765 47.585 14.106 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.016 47.941 15.846 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.869 49.619 15.362 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.245 48.906 13.055 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.409 47.226 13.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.129 47.890 13.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.637 47.551 15.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.461 49.162 14.633 1.00 0.00 H new ATOM 471 N ILE A 30 46.624 49.024 16.766 1.00 0.00 N ATOM 472 CA ILE A 30 47.737 49.510 17.555 1.00 0.00 C ATOM 473 C ILE A 30 48.984 49.727 16.695 1.00 0.00 C ATOM 474 O ILE A 30 49.633 50.761 16.838 1.00 0.00 O ATOM 475 CB ILE A 30 47.987 48.589 18.745 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.829 48.680 19.735 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.307 48.888 19.450 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.793 47.561 20.771 1.00 0.00 C ATOM 0 H ILE A 30 46.356 48.070 17.008 1.00 0.00 H new ATOM 0 HA ILE A 30 47.479 50.490 17.956 1.00 0.00 H new ATOM 0 HB ILE A 30 48.055 47.574 18.354 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.886 49.637 20.254 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.891 48.674 19.179 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.435 48.204 20.289 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.131 48.760 18.748 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.299 49.914 19.817 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.939 47.705 21.433 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.702 46.600 20.265 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.712 47.578 21.357 1.00 0.00 H new ATOM 490 N GLN A 31 49.300 48.836 15.761 1.00 0.00 N ATOM 491 CA GLN A 31 50.376 49.018 14.808 1.00 0.00 C ATOM 492 C GLN A 31 50.187 50.285 13.971 1.00 0.00 C ATOM 493 O GLN A 31 51.147 51.008 13.714 1.00 0.00 O ATOM 494 CB GLN A 31 50.479 47.797 13.899 1.00 0.00 C ATOM 495 CG GLN A 31 51.696 47.854 12.980 1.00 0.00 C ATOM 496 CD GLN A 31 51.764 46.707 11.971 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.763 46.121 11.566 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.963 46.363 11.507 1.00 0.00 N ATOM 0 H GLN A 31 48.803 47.953 15.648 1.00 0.00 H new ATOM 0 HA GLN A 31 51.303 49.132 15.371 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.531 46.896 14.510 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.575 47.720 13.295 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.687 48.800 12.439 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.600 47.843 13.589 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.797 46.847 11.840 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.048 45.616 10.818 1.00 0.00 H new ATOM 507 N ASP A 32 48.960 50.596 13.561 1.00 0.00 N ATOM 508 CA ASP A 32 48.647 51.812 12.837 1.00 0.00 C ATOM 509 C ASP A 32 48.746 53.081 13.685 1.00 0.00 C ATOM 510 O ASP A 32 49.101 54.126 13.145 1.00 0.00 O ATOM 511 CB ASP A 32 47.270 51.628 12.206 1.00 0.00 C ATOM 512 CG ASP A 32 46.777 52.900 11.512 1.00 0.00 C ATOM 513 OD1 ASP A 32 45.885 53.569 12.076 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.303 53.216 10.424 1.00 0.00 O ATOM 0 H ASP A 32 48.150 49.999 13.727 1.00 0.00 H new ATOM 0 HA ASP A 32 49.398 51.969 12.063 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.310 50.814 11.483 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.556 51.336 12.976 1.00 0.00 H new ATOM 519 N LYS A 33 48.482 53.029 14.988 1.00 0.00 N ATOM 520 CA LYS A 33 48.579 54.164 15.883 1.00 0.00 C ATOM 521 C LYS A 33 49.967 54.420 16.474 1.00 0.00 C ATOM 522 O LYS A 33 50.285 55.579 16.731 1.00 0.00 O ATOM 523 CB LYS A 33 47.497 54.075 16.956 1.00 0.00 C ATOM 524 CG LYS A 33 46.309 54.981 16.643 1.00 0.00 C ATOM 525 CD LYS A 33 45.187 54.868 17.671 1.00 0.00 C ATOM 526 CE LYS A 33 44.332 56.127 17.783 1.00 0.00 C ATOM 527 NZ LYS A 33 43.750 56.557 16.502 1.00 0.00 N ATOM 0 H LYS A 33 48.188 52.172 15.456 1.00 0.00 H new ATOM 0 HA LYS A 33 48.407 55.046 15.266 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.154 53.044 17.041 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.920 54.352 17.922 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.650 56.015 16.597 1.00 0.00 H new ATOM 0 HG3 LYS A 33 45.918 54.730 15.657 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.547 54.026 17.407 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.620 54.645 18.646 1.00 0.00 H new ATOM 0 HE2 LYS A 33 43.528 55.948 18.497 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.941 56.936 18.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.115 57.365 16.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.511 56.839 15.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.212 55.771 16.084 1.00 0.00 H new ATOM 541 N GLU A 34 50.778 53.391 16.702 1.00 0.00 N ATOM 542 CA GLU A 34 52.046 53.480 17.397 1.00 0.00 C ATOM 543 C GLU A 34 53.209 52.717 16.760 1.00 0.00 C ATOM 544 O GLU A 34 54.326 52.766 17.272 1.00 0.00 O ATOM 545 CB GLU A 34 51.843 53.033 18.842 1.00 0.00 C ATOM 546 CG GLU A 34 51.273 54.121 19.748 1.00 0.00 C ATOM 547 CD GLU A 34 52.334 55.160 20.118 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.111 54.913 21.065 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.408 56.235 19.483 1.00 0.00 O ATOM 0 H GLU A 34 50.558 52.443 16.395 1.00 0.00 H new ATOM 0 HA GLU A 34 52.350 54.525 17.335 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.173 52.173 18.856 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.798 52.699 19.247 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.440 54.614 19.246 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.875 53.668 20.656 1.00 0.00 H new ATOM 556 N GLY A 35 53.001 52.013 15.652 1.00 0.00 N ATOM 557 CA GLY A 35 54.050 51.391 14.871 1.00 0.00 C ATOM 558 C GLY A 35 54.479 49.978 15.273 1.00 0.00 C ATOM 559 O GLY A 35 55.258 49.359 14.551 1.00 0.00 O ATOM 0 H GLY A 35 52.069 51.859 15.267 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.724 51.362 13.831 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.928 52.035 14.912 1.00 0.00 H new ATOM 563 N ILE A 36 53.984 49.452 16.390 1.00 0.00 N ATOM 564 CA ILE A 36 54.456 48.227 17.004 1.00 0.00 C ATOM 565 C ILE A 36 54.051 46.999 16.188 1.00 0.00 C ATOM 566 O ILE A 36 52.851 46.783 16.033 1.00 0.00 O ATOM 567 CB ILE A 36 53.953 48.114 18.441 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.347 49.311 19.301 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.493 46.834 19.072 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.555 49.422 20.600 1.00 0.00 C ATOM 0 H ILE A 36 53.218 49.886 16.905 1.00 0.00 H new ATOM 0 HA ILE A 36 55.545 48.265 17.023 1.00 0.00 H new ATOM 0 HB ILE A 36 52.864 48.091 18.399 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.409 49.243 19.538 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.208 50.224 18.722 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.133 46.754 20.098 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.149 45.973 18.499 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.583 46.859 19.071 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.891 50.296 21.157 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.494 49.523 20.372 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.713 48.526 21.200 1.00 0.00 H new ATOM 582 N PRO A 37 54.966 46.151 15.724 1.00 0.00 N ATOM 583 CA PRO A 37 54.626 44.951 14.987 1.00 0.00 C ATOM 584 C PRO A 37 53.772 43.980 15.805 1.00 0.00 C ATOM 585 O PRO A 37 54.167 43.647 16.920 1.00 0.00 O ATOM 586 CB PRO A 37 55.945 44.299 14.583 1.00 0.00 C ATOM 587 CG PRO A 37 56.943 45.453 14.623 1.00 0.00 C ATOM 588 CD PRO A 37 56.406 46.305 15.769 1.00 0.00 C ATOM 0 HA PRO A 37 54.022 45.212 14.118 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.226 43.502 15.272 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.885 43.855 13.589 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.958 45.106 14.815 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.966 46.004 13.683 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.807 45.972 16.727 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.693 47.350 15.649 1.00 0.00 H new ATOM 596 N PRO A 38 52.644 43.487 15.302 1.00 0.00 N ATOM 597 CA PRO A 38 51.761 42.597 16.029 1.00 0.00 C ATOM 598 C PRO A 38 52.428 41.355 16.625 1.00 0.00 C ATOM 599 O PRO A 38 52.082 40.984 17.744 1.00 0.00 O ATOM 600 CB PRO A 38 50.655 42.224 15.047 1.00 0.00 C ATOM 601 CG PRO A 38 50.530 43.488 14.199 1.00 0.00 C ATOM 602 CD PRO A 38 51.986 43.932 14.090 1.00 0.00 C ATOM 0 HA PRO A 38 51.387 43.114 16.913 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.922 41.356 14.445 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.722 41.983 15.558 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.090 43.284 13.223 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.907 44.243 14.678 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.459 43.497 13.210 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.055 45.015 13.987 1.00 0.00 H new ATOM 610 N ASP A 39 53.424 40.758 15.976 1.00 0.00 N ATOM 611 CA ASP A 39 54.125 39.599 16.490 1.00 0.00 C ATOM 612 C ASP A 39 54.929 39.859 17.766 1.00 0.00 C ATOM 613 O ASP A 39 55.231 38.912 18.488 1.00 0.00 O ATOM 614 CB ASP A 39 54.971 38.932 15.409 1.00 0.00 C ATOM 615 CG ASP A 39 56.187 39.736 14.944 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.113 40.354 13.860 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.240 39.701 15.617 1.00 0.00 O ATOM 0 H ASP A 39 53.766 41.074 15.069 1.00 0.00 H new ATOM 0 HA ASP A 39 53.344 38.901 16.791 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.315 37.968 15.783 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.336 38.732 14.546 1.00 0.00 H new ATOM 622 N GLN A 40 55.229 41.113 18.092 1.00 0.00 N ATOM 623 CA GLN A 40 55.880 41.501 19.326 1.00 0.00 C ATOM 624 C GLN A 40 54.906 41.907 20.434 1.00 0.00 C ATOM 625 O GLN A 40 55.328 42.039 21.581 1.00 0.00 O ATOM 626 CB GLN A 40 56.878 42.628 19.077 1.00 0.00 C ATOM 627 CG GLN A 40 58.031 42.212 18.168 1.00 0.00 C ATOM 628 CD GLN A 40 59.133 43.271 18.081 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.419 44.008 19.022 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.799 43.391 16.937 1.00 0.00 N ATOM 0 H GLN A 40 55.018 41.904 17.484 1.00 0.00 H new ATOM 0 HA GLN A 40 56.402 40.611 19.678 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.357 43.475 18.630 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.279 42.968 20.032 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.459 41.279 18.536 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.645 42.013 17.168 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.571 42.785 16.148 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.538 44.089 16.848 1.00 0.00 H new ATOM 639 N GLN A 41 53.626 42.109 20.134 1.00 0.00 N ATOM 640 CA GLN A 41 52.641 42.560 21.095 1.00 0.00 C ATOM 641 C GLN A 41 52.125 41.396 21.943 1.00 0.00 C ATOM 642 O GLN A 41 51.709 40.375 21.400 1.00 0.00 O ATOM 643 CB GLN A 41 51.473 43.246 20.392 1.00 0.00 C ATOM 644 CG GLN A 41 51.847 44.491 19.593 1.00 0.00 C ATOM 645 CD GLN A 41 50.631 45.164 18.951 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.524 45.151 19.483 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.752 45.774 17.776 1.00 0.00 N ATOM 0 H GLN A 41 53.245 41.960 19.200 1.00 0.00 H new ATOM 0 HA GLN A 41 53.129 43.279 21.753 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.000 42.529 19.720 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.729 43.521 21.139 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.348 45.203 20.249 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.560 44.219 18.815 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.657 45.803 17.307 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.939 46.213 17.343 1.00 0.00 H new ATOM 656 N ARG A 42 52.067 41.573 23.260 1.00 0.00 N ATOM 657 CA ARG A 42 51.289 40.764 24.177 1.00 0.00 C ATOM 658 C ARG A 42 50.235 41.646 24.849 1.00 0.00 C ATOM 659 O ARG A 42 50.590 42.583 25.560 1.00 0.00 O ATOM 660 CB ARG A 42 52.196 40.105 25.213 1.00 0.00 C ATOM 661 CG ARG A 42 53.050 38.979 24.637 1.00 0.00 C ATOM 662 CD ARG A 42 54.165 38.574 25.596 1.00 0.00 C ATOM 663 NE ARG A 42 53.650 38.023 26.850 1.00 0.00 N ATOM 664 CZ ARG A 42 54.092 38.308 28.082 1.00 0.00 C ATOM 665 NH1 ARG A 42 55.184 39.054 28.296 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.446 37.844 29.161 1.00 0.00 N ATOM 0 H ARG A 42 52.584 42.316 23.731 1.00 0.00 H new ATOM 0 HA ARG A 42 50.788 39.967 23.627 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.849 40.862 25.648 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.583 39.709 26.023 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.420 38.115 24.425 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.483 39.298 23.689 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.805 37.835 25.113 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.788 39.442 25.812 1.00 0.00 H new ATOM 0 HE ARG A 42 52.880 37.358 26.779 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.710 39.427 27.506 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.489 39.249 29.249 1.00 0.00 H new ATOM 0 HH21 ARG A 42 52.611 37.269 29.048 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.789 38.066 30.096 1.00 0.00 H new ATOM 680 N LEU A 43 48.958 41.353 24.617 1.00 0.00 N ATOM 681 CA LEU A 43 47.827 42.065 25.176 1.00 0.00 C ATOM 682 C LEU A 43 47.211 41.294 26.346 1.00 0.00 C ATOM 683 O LEU A 43 46.944 40.097 26.255 1.00 0.00 O ATOM 684 CB LEU A 43 46.801 42.366 24.088 1.00 0.00 C ATOM 685 CG LEU A 43 47.235 43.443 23.098 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.282 43.470 21.906 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.229 44.839 23.714 1.00 0.00 C ATOM 0 H LEU A 43 48.679 40.582 24.010 1.00 0.00 H new ATOM 0 HA LEU A 43 48.178 43.017 25.575 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.590 41.448 23.539 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.869 42.677 24.560 1.00 0.00 H new ATOM 0 HG LEU A 43 48.251 43.190 22.796 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.599 44.241 21.204 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.294 42.500 21.409 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.272 43.688 22.253 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.546 45.567 22.968 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.222 45.082 24.054 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.915 44.866 24.561 1.00 0.00 H new ATOM 699 N ILE A 44 47.005 42.005 27.450 1.00 0.00 N ATOM 700 CA ILE A 44 46.506 41.510 28.718 1.00 0.00 C ATOM 701 C ILE A 44 45.213 42.239 29.087 1.00 0.00 C ATOM 702 O ILE A 44 45.113 43.458 28.964 1.00 0.00 O ATOM 703 CB ILE A 44 47.580 41.631 29.795 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.719 40.654 29.515 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.033 41.413 31.203 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.990 40.888 30.327 1.00 0.00 C ATOM 0 H ILE A 44 47.196 43.007 27.479 1.00 0.00 H new ATOM 0 HA ILE A 44 46.267 40.450 28.632 1.00 0.00 H new ATOM 0 HB ILE A 44 47.955 42.654 29.756 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.364 39.642 29.709 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.969 40.706 28.455 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.842 41.511 31.927 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.265 42.157 31.414 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.601 40.415 31.275 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.738 40.143 30.055 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.378 41.885 30.117 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.763 40.804 31.390 1.00 0.00 H new ATOM 718 N PHE A 45 44.240 41.477 29.580 1.00 0.00 N ATOM 719 CA PHE A 45 43.031 41.970 30.208 1.00 0.00 C ATOM 720 C PHE A 45 42.662 41.095 31.407 1.00 0.00 C ATOM 721 O PHE A 45 42.749 39.872 31.320 1.00 0.00 O ATOM 722 CB PHE A 45 41.894 41.994 29.191 1.00 0.00 C ATOM 723 CG PHE A 45 40.631 42.661 29.682 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.618 44.042 29.910 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.478 41.907 29.928 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.464 44.667 30.397 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.320 42.533 30.405 1.00 0.00 C ATOM 728 CZ PHE A 45 38.311 43.913 30.644 1.00 0.00 C ATOM 0 H PHE A 45 44.280 40.458 29.548 1.00 0.00 H new ATOM 0 HA PHE A 45 43.203 42.985 30.566 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.237 42.509 28.293 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.660 40.969 28.901 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.503 44.628 29.709 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.481 40.842 29.750 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.463 45.731 30.582 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.430 41.949 30.589 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.418 44.393 31.017 1.00 0.00 H new ATOM 738 N ALA A 46 42.239 41.712 32.508 1.00 0.00 N ATOM 739 CA ALA A 46 41.646 41.062 33.659 1.00 0.00 C ATOM 740 C ALA A 46 42.348 39.774 34.094 1.00 0.00 C ATOM 741 O ALA A 46 41.722 38.732 34.274 1.00 0.00 O ATOM 742 CB ALA A 46 40.146 40.917 33.416 1.00 0.00 C ATOM 0 H ALA A 46 42.306 42.724 32.620 1.00 0.00 H new ATOM 0 HA ALA A 46 41.795 41.698 34.531 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.684 40.429 34.274 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.703 41.903 33.277 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.979 40.315 32.523 1.00 0.00 H new ATOM 748 N GLY A 47 43.666 39.821 34.259 1.00 0.00 N ATOM 749 CA GLY A 47 44.464 38.717 34.754 1.00 0.00 C ATOM 750 C GLY A 47 44.794 37.602 33.761 1.00 0.00 C ATOM 751 O GLY A 47 45.212 36.534 34.204 1.00 0.00 O ATOM 0 H GLY A 47 44.218 40.652 34.045 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.402 39.121 35.135 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.941 38.273 35.601 1.00 0.00 H new ATOM 755 N LYS A 48 44.626 37.798 32.456 1.00 0.00 N ATOM 756 CA LYS A 48 45.102 36.880 31.441 1.00 0.00 C ATOM 757 C LYS A 48 45.629 37.564 30.177 1.00 0.00 C ATOM 758 O LYS A 48 45.176 38.645 29.809 1.00 0.00 O ATOM 759 CB LYS A 48 44.035 35.843 31.102 1.00 0.00 C ATOM 760 CG LYS A 48 42.739 36.417 30.537 1.00 0.00 C ATOM 761 CD LYS A 48 41.759 35.289 30.226 1.00 0.00 C ATOM 762 CE LYS A 48 40.388 35.860 29.876 1.00 0.00 C ATOM 763 NZ LYS A 48 39.366 34.808 29.765 1.00 0.00 N ATOM 0 H LYS A 48 44.147 38.614 32.074 1.00 0.00 H new ATOM 0 HA LYS A 48 45.963 36.375 31.879 1.00 0.00 H new ATOM 0 HB2 LYS A 48 44.449 35.139 30.380 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.802 35.275 32.003 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.295 37.108 31.254 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.949 36.987 29.632 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.134 34.691 29.396 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.675 34.624 31.085 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.088 36.578 30.640 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.452 36.405 28.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.450 35.238 29.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.638 34.137 29.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.286 34.304 30.671 1.00 0.00 H new ATOM 777 N GLN A 49 46.540 36.894 29.476 1.00 0.00 N ATOM 778 CA GLN A 49 46.853 37.189 28.092 1.00 0.00 C ATOM 779 C GLN A 49 45.709 36.764 27.170 1.00 0.00 C ATOM 780 O GLN A 49 45.030 35.776 27.439 1.00 0.00 O ATOM 781 CB GLN A 49 48.148 36.502 27.668 1.00 0.00 C ATOM 782 CG GLN A 49 49.387 37.097 28.332 1.00 0.00 C ATOM 783 CD GLN A 49 50.672 36.458 27.803 1.00 0.00 C ATOM 784 OE1 GLN A 49 51.095 36.696 26.674 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.391 35.686 28.612 1.00 0.00 N ATOM 0 H GLN A 49 47.085 36.123 29.863 1.00 0.00 H new ATOM 0 HA GLN A 49 46.986 38.267 28.006 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.086 35.441 27.912 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.253 36.574 26.586 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.415 38.172 28.154 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.326 36.954 29.411 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.054 35.479 29.552 1.00 0.00 H new ATOM 0 HE22 GLN A 49 52.280 35.301 28.293 1.00 0.00 H new ATOM 794 N LEU A 50 45.517 37.482 26.067 1.00 0.00 N ATOM 795 CA LEU A 50 44.452 37.236 25.115 1.00 0.00 C ATOM 796 C LEU A 50 44.871 36.311 23.971 1.00 0.00 C ATOM 797 O LEU A 50 45.993 36.375 23.474 1.00 0.00 O ATOM 798 CB LEU A 50 43.912 38.566 24.599 1.00 0.00 C ATOM 799 CG LEU A 50 43.376 39.525 25.658 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.848 40.791 24.988 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.246 38.909 26.478 1.00 0.00 C ATOM 0 H LEU A 50 46.114 38.268 25.810 1.00 0.00 H new ATOM 0 HA LEU A 50 43.656 36.705 25.637 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.707 39.070 24.050 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.114 38.360 23.886 1.00 0.00 H new ATOM 0 HG LEU A 50 44.204 39.753 26.329 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.466 41.473 25.748 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.655 41.275 24.438 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.045 40.530 24.299 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.898 39.630 27.218 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.421 38.641 25.817 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.610 38.015 26.985 1.00 0.00 H new ATOM 813 N GLU A 51 43.945 35.477 23.508 1.00 0.00 N ATOM 814 CA GLU A 51 44.053 34.694 22.293 1.00 0.00 C ATOM 815 C GLU A 51 43.322 35.393 21.145 1.00 0.00 C ATOM 816 O GLU A 51 42.205 35.875 21.317 1.00 0.00 O ATOM 817 CB GLU A 51 43.535 33.282 22.552 1.00 0.00 C ATOM 818 CG GLU A 51 43.866 32.311 21.422 1.00 0.00 C ATOM 819 CD GLU A 51 43.410 30.883 21.730 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.199 30.109 22.314 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.278 30.520 21.346 1.00 0.00 O ATOM 0 H GLU A 51 43.062 35.326 23.995 1.00 0.00 H new ATOM 0 HA GLU A 51 45.097 34.610 21.991 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.963 32.908 23.482 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.454 33.317 22.690 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.390 32.652 20.502 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.942 32.316 21.245 1.00 0.00 H new ATOM 828 N ASP A 52 43.915 35.431 19.955 1.00 0.00 N ATOM 829 CA ASP A 52 43.458 36.237 18.840 1.00 0.00 C ATOM 830 C ASP A 52 42.264 35.664 18.073 1.00 0.00 C ATOM 831 O ASP A 52 41.628 36.388 17.311 1.00 0.00 O ATOM 832 CB ASP A 52 44.599 36.497 17.860 1.00 0.00 C ATOM 833 CG ASP A 52 45.794 37.249 18.448 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.942 36.889 18.110 1.00 0.00 O ATOM 835 OD2 ASP A 52 45.615 38.211 19.227 1.00 0.00 O ATOM 0 H ASP A 52 44.749 34.885 19.740 1.00 0.00 H new ATOM 0 HA ASP A 52 43.113 37.165 19.297 1.00 0.00 H new ATOM 0 HB2 ASP A 52 44.947 35.541 17.468 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.210 37.066 17.015 1.00 0.00 H new ATOM 840 N GLY A 53 41.918 34.401 18.305 1.00 0.00 N ATOM 841 CA GLY A 53 40.752 33.759 17.734 1.00 0.00 C ATOM 842 C GLY A 53 39.409 34.234 18.293 1.00 0.00 C ATOM 843 O GLY A 53 38.376 33.835 17.760 1.00 0.00 O ATOM 0 H GLY A 53 42.459 33.785 18.912 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.758 33.923 16.656 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.834 32.684 17.893 1.00 0.00 H new ATOM 847 N ARG A 54 39.402 35.064 19.332 1.00 0.00 N ATOM 848 CA ARG A 54 38.222 35.605 19.976 1.00 0.00 C ATOM 849 C ARG A 54 38.177 37.134 19.951 1.00 0.00 C ATOM 850 O ARG A 54 39.185 37.795 19.713 1.00 0.00 O ATOM 851 CB ARG A 54 38.101 35.018 21.380 1.00 0.00 C ATOM 852 CG ARG A 54 37.777 33.528 21.436 1.00 0.00 C ATOM 853 CD ARG A 54 36.463 33.210 20.730 1.00 0.00 C ATOM 854 NE ARG A 54 36.013 31.830 20.919 1.00 0.00 N ATOM 855 CZ ARG A 54 34.886 31.340 20.384 1.00 0.00 C ATOM 856 NH1 ARG A 54 34.087 32.082 19.605 1.00 0.00 N ATOM 857 NH2 ARG A 54 34.489 30.077 20.586 1.00 0.00 N ATOM 0 H ARG A 54 40.266 35.390 19.765 1.00 0.00 H new ATOM 0 HA ARG A 54 37.344 35.304 19.405 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.038 35.190 21.910 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.325 35.563 21.918 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.585 32.962 20.973 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.718 33.207 22.476 1.00 0.00 H new ATOM 0 HD2 ARG A 54 35.691 33.888 21.095 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.578 33.403 19.663 1.00 0.00 H new ATOM 0 HE ARG A 54 36.588 31.208 21.488 1.00 0.00 H new ATOM 0 HH11 ARG A 54 34.329 33.052 19.403 1.00 0.00 H new ATOM 0 HH12 ARG A 54 33.236 31.677 19.214 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.051 29.452 21.164 1.00 0.00 H new ATOM 0 HH22 ARG A 54 33.625 29.740 20.162 1.00 0.00 H new ATOM 871 N THR A 55 36.983 37.680 20.162 1.00 0.00 N ATOM 872 CA THR A 55 36.643 39.082 20.028 1.00 0.00 C ATOM 873 C THR A 55 36.562 39.823 21.364 1.00 0.00 C ATOM 874 O THR A 55 36.426 39.202 22.416 1.00 0.00 O ATOM 875 CB THR A 55 35.354 39.303 19.243 1.00 0.00 C ATOM 876 OG1 THR A 55 34.227 38.825 19.944 1.00 0.00 O ATOM 877 CG2 THR A 55 35.338 38.606 17.885 1.00 0.00 C ATOM 0 H THR A 55 36.183 37.116 20.448 1.00 0.00 H new ATOM 0 HA THR A 55 37.473 39.506 19.463 1.00 0.00 H new ATOM 0 HB THR A 55 35.313 40.383 19.103 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.338 37.869 20.129 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.391 38.807 17.384 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.159 38.981 17.274 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.452 37.531 18.026 1.00 0.00 H new ATOM 885 N LEU A 56 36.594 41.152 21.332 1.00 0.00 N ATOM 886 CA LEU A 56 36.468 41.983 22.513 1.00 0.00 C ATOM 887 C LEU A 56 35.243 41.637 23.362 1.00 0.00 C ATOM 888 O LEU A 56 35.363 41.523 24.580 1.00 0.00 O ATOM 889 CB LEU A 56 36.461 43.452 22.099 1.00 0.00 C ATOM 890 CG LEU A 56 37.768 43.992 21.527 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.596 45.458 21.140 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.928 43.931 22.517 1.00 0.00 C ATOM 0 H LEU A 56 36.710 41.684 20.470 1.00 0.00 H new ATOM 0 HA LEU A 56 37.330 41.787 23.151 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.676 43.596 21.357 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.192 44.053 22.968 1.00 0.00 H new ATOM 0 HG LEU A 56 38.001 43.361 20.669 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.532 45.839 20.732 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.811 45.546 20.389 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.322 46.037 22.022 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.828 44.330 22.048 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.685 44.524 23.399 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.101 42.896 22.812 1.00 0.00 H new ATOM 904 N SER A 57 34.093 41.383 22.745 1.00 0.00 N ATOM 905 CA SER A 57 32.890 40.946 23.425 1.00 0.00 C ATOM 906 C SER A 57 32.962 39.537 24.018 1.00 0.00 C ATOM 907 O SER A 57 32.386 39.313 25.080 1.00 0.00 O ATOM 908 CB SER A 57 31.670 41.054 22.515 1.00 0.00 C ATOM 909 OG SER A 57 31.870 40.399 21.283 1.00 0.00 O ATOM 0 H SER A 57 33.975 41.479 21.736 1.00 0.00 H new ATOM 0 HA SER A 57 32.793 41.629 24.269 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.804 40.624 23.018 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.444 42.105 22.334 1.00 0.00 H new ATOM 0 HG SER A 57 32.378 40.982 20.681 1.00 0.00 H new ATOM 915 N ASP A 58 33.718 38.612 23.433 1.00 0.00 N ATOM 916 CA ASP A 58 33.946 37.308 24.022 1.00 0.00 C ATOM 917 C ASP A 58 34.693 37.413 25.353 1.00 0.00 C ATOM 918 O ASP A 58 34.386 36.690 26.298 1.00 0.00 O ATOM 919 CB ASP A 58 34.729 36.397 23.081 1.00 0.00 C ATOM 920 CG ASP A 58 34.014 36.089 21.763 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.868 35.593 21.806 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.604 36.324 20.686 1.00 0.00 O ATOM 0 H ASP A 58 34.187 38.751 22.538 1.00 0.00 H new ATOM 0 HA ASP A 58 32.962 36.875 24.201 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.690 36.862 22.860 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.940 35.459 23.594 1.00 0.00 H new ATOM 927 N TYR A 59 35.612 38.369 25.454 1.00 0.00 N ATOM 928 CA TYR A 59 36.322 38.748 26.658 1.00 0.00 C ATOM 929 C TYR A 59 35.568 39.744 27.542 1.00 0.00 C ATOM 930 O TYR A 59 36.101 40.167 28.566 1.00 0.00 O ATOM 931 CB TYR A 59 37.713 39.254 26.284 1.00 0.00 C ATOM 932 CG TYR A 59 38.585 38.225 25.603 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.028 37.109 26.322 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.959 38.387 24.264 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.844 36.151 25.707 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.775 37.439 23.635 1.00 0.00 C ATOM 937 CZ TYR A 59 40.216 36.313 24.358 1.00 0.00 C ATOM 938 OH TYR A 59 41.006 35.379 23.753 1.00 0.00 O ATOM 0 H TYR A 59 35.893 38.928 24.648 1.00 0.00 H new ATOM 0 HA TYR A 59 36.411 37.855 27.276 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.609 40.117 25.627 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.216 39.600 27.187 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.739 36.986 27.355 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.616 39.249 23.712 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.187 35.292 26.265 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.064 37.570 22.603 1.00 0.00 H new ATOM 0 HH TYR A 59 41.327 35.728 22.895 1.00 0.00 H new ATOM 948 N ASN A 60 34.337 40.106 27.193 1.00 0.00 N ATOM 949 CA ASN A 60 33.499 41.062 27.887 1.00 0.00 C ATOM 950 C ASN A 60 34.111 42.453 28.065 1.00 0.00 C ATOM 951 O ASN A 60 33.909 43.108 29.085 1.00 0.00 O ATOM 952 CB ASN A 60 32.949 40.424 29.159 1.00 0.00 C ATOM 953 CG ASN A 60 31.780 41.190 29.781 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.003 41.861 29.106 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.604 41.073 31.094 1.00 0.00 N ATOM 0 H ASN A 60 33.877 39.714 26.371 1.00 0.00 H new ATOM 0 HA ASN A 60 32.652 41.294 27.241 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.626 39.408 28.934 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.752 40.348 29.892 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.820 41.542 31.547 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.253 40.514 31.648 1.00 0.00 H new ATOM 962 N ILE A 61 34.864 42.916 27.071 1.00 0.00 N ATOM 963 CA ILE A 61 35.442 44.243 26.992 1.00 0.00 C ATOM 964 C ILE A 61 34.420 45.183 26.352 1.00 0.00 C ATOM 965 O ILE A 61 33.831 44.858 25.323 1.00 0.00 O ATOM 966 CB ILE A 61 36.766 44.207 26.235 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.791 43.318 26.934 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.341 45.610 26.065 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.927 42.868 26.020 1.00 0.00 C ATOM 0 H ILE A 61 35.096 42.342 26.260 1.00 0.00 H new ATOM 0 HA ILE A 61 35.673 44.619 27.989 1.00 0.00 H new ATOM 0 HB ILE A 61 36.555 43.786 25.252 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.210 43.858 27.783 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.286 42.439 27.333 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.284 45.553 25.522 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.637 46.226 25.506 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.513 46.054 27.046 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.619 42.240 26.581 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.518 42.301 25.184 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.457 43.742 25.641 1.00 0.00 H new ATOM 981 N GLN A 62 34.218 46.353 26.953 1.00 0.00 N ATOM 982 CA GLN A 62 33.285 47.373 26.518 1.00 0.00 C ATOM 983 C GLN A 62 33.933 48.758 26.582 1.00 0.00 C ATOM 984 O GLN A 62 35.075 48.893 27.016 1.00 0.00 O ATOM 985 CB GLN A 62 32.032 47.314 27.386 1.00 0.00 C ATOM 986 CG GLN A 62 31.149 46.100 27.112 1.00 0.00 C ATOM 987 CD GLN A 62 29.844 46.197 27.903 1.00 0.00 C ATOM 988 OE1 GLN A 62 28.874 46.816 27.469 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.778 45.667 29.121 1.00 0.00 N ATOM 0 H GLN A 62 34.727 46.622 27.795 1.00 0.00 H new ATOM 0 HA GLN A 62 33.005 47.188 25.481 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.328 47.307 28.435 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.448 48.220 27.226 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.931 46.035 26.046 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.680 45.188 27.385 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.573 45.150 29.496 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.932 45.777 29.680 1.00 0.00 H new ATOM 998 N LYS A 63 33.221 49.803 26.169 1.00 0.00 N ATOM 999 CA LYS A 63 33.714 51.165 26.211 1.00 0.00 C ATOM 1000 C LYS A 63 34.227 51.564 27.596 1.00 0.00 C ATOM 1001 O LYS A 63 33.685 51.139 28.614 1.00 0.00 O ATOM 1002 CB LYS A 63 32.657 52.123 25.669 1.00 0.00 C ATOM 1003 CG LYS A 63 31.497 52.426 26.613 1.00 0.00 C ATOM 1004 CD LYS A 63 30.450 53.263 25.883 1.00 0.00 C ATOM 1005 CE LYS A 63 29.336 53.673 26.842 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.332 54.503 26.159 1.00 0.00 N ATOM 0 H LYS A 63 32.276 49.721 25.793 1.00 0.00 H new ATOM 0 HA LYS A 63 34.586 51.229 25.560 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.144 53.062 25.407 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.252 51.706 24.747 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.052 51.497 26.968 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.859 52.962 27.490 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.917 54.151 25.457 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.033 52.693 25.053 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.859 52.783 27.253 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.759 54.225 27.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.585 54.769 26.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.786 55.362 25.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.914 53.966 25.373 1.00 0.00 H new ATOM 1020 N GLU A 64 35.283 52.372 27.630 1.00 0.00 N ATOM 1021 CA GLU A 64 35.973 52.817 28.823 1.00 0.00 C ATOM 1022 C GLU A 64 36.768 51.756 29.587 1.00 0.00 C ATOM 1023 O GLU A 64 37.365 52.066 30.615 1.00 0.00 O ATOM 1024 CB GLU A 64 35.020 53.604 29.719 1.00 0.00 C ATOM 1025 CG GLU A 64 35.655 54.777 30.460 1.00 0.00 C ATOM 1026 CD GLU A 64 35.768 56.037 29.600 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.554 57.141 30.147 1.00 0.00 O ATOM 1028 OE2 GLU A 64 36.115 55.952 28.402 1.00 0.00 O ATOM 0 H GLU A 64 35.697 52.750 26.778 1.00 0.00 H new ATOM 0 HA GLU A 64 36.764 53.477 28.466 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.199 53.980 29.109 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.587 52.922 30.451 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.064 55.002 31.348 1.00 0.00 H new ATOM 0 HG3 GLU A 64 36.648 54.488 30.803 1.00 0.00 H new ATOM 1035 N SER A 65 36.835 50.519 29.101 1.00 0.00 N ATOM 1036 CA SER A 65 37.768 49.511 29.562 1.00 0.00 C ATOM 1037 C SER A 65 39.204 49.803 29.124 1.00 0.00 C ATOM 1038 O SER A 65 39.431 50.502 28.139 1.00 0.00 O ATOM 1039 CB SER A 65 37.357 48.127 29.070 1.00 0.00 C ATOM 1040 OG SER A 65 36.179 47.684 29.706 1.00 0.00 O ATOM 0 H SER A 65 36.222 50.188 28.356 1.00 0.00 H new ATOM 0 HA SER A 65 37.738 49.535 30.651 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.202 48.154 27.991 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.163 47.418 29.259 1.00 0.00 H new ATOM 0 HG SER A 65 35.940 46.795 29.369 1.00 0.00 H new ATOM 1046 N THR A 66 40.178 49.235 29.829 1.00 0.00 N ATOM 1047 CA THR A 66 41.596 49.387 29.572 1.00 0.00 C ATOM 1048 C THR A 66 42.250 48.039 29.260 1.00 0.00 C ATOM 1049 O THR A 66 42.147 47.097 30.044 1.00 0.00 O ATOM 1050 CB THR A 66 42.303 50.038 30.757 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.766 51.317 31.014 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.797 50.250 30.530 1.00 0.00 C ATOM 0 H THR A 66 39.986 48.631 30.628 1.00 0.00 H new ATOM 0 HA THR A 66 41.698 50.035 28.702 1.00 0.00 H new ATOM 0 HB THR A 66 42.152 49.347 31.587 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.230 51.719 31.778 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.236 50.717 31.412 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.278 49.288 30.351 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.945 50.897 29.665 1.00 0.00 H new ATOM 1060 N LEU A 67 42.991 47.962 28.159 1.00 0.00 N ATOM 1061 CA LEU A 67 43.934 46.900 27.869 1.00 0.00 C ATOM 1062 C LEU A 67 45.334 47.270 28.363 1.00 0.00 C ATOM 1063 O LEU A 67 45.727 48.433 28.299 1.00 0.00 O ATOM 1064 CB LEU A 67 43.979 46.630 26.368 1.00 0.00 C ATOM 1065 CG LEU A 67 42.726 46.001 25.765 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.889 45.876 24.253 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.483 44.602 26.323 1.00 0.00 C ATOM 0 H LEU A 67 42.946 48.665 27.421 1.00 0.00 H new ATOM 0 HA LEU A 67 43.603 46.001 28.389 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.172 47.572 25.855 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.826 45.975 26.162 1.00 0.00 H new ATOM 0 HG LEU A 67 41.883 46.644 26.017 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.992 45.426 23.826 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.040 46.865 23.820 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.751 45.247 24.031 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.583 44.182 25.873 1.00 0.00 H new ATOM 0 HD22 LEU A 67 43.336 43.964 26.091 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.356 44.659 27.404 1.00 0.00 H new ATOM 1079 N HIS A 68 46.123 46.275 28.758 1.00 0.00 N ATOM 1080 CA HIS A 68 47.530 46.444 29.062 1.00 0.00 C ATOM 1081 C HIS A 68 48.383 45.761 27.992 1.00 0.00 C ATOM 1082 O HIS A 68 48.086 44.641 27.581 1.00 0.00 O ATOM 1083 CB HIS A 68 47.816 45.956 30.479 1.00 0.00 C ATOM 1084 CG HIS A 68 47.180 46.820 31.532 1.00 0.00 C ATOM 1085 ND1 HIS A 68 45.867 46.711 31.989 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.788 47.855 32.195 1.00 0.00 C ATOM 1087 CE1 HIS A 68 45.701 47.688 32.883 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.837 48.386 33.043 1.00 0.00 N ATOM 0 H HIS A 68 45.793 45.317 28.876 1.00 0.00 H new ATOM 0 HA HIS A 68 47.800 47.500 29.039 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.453 44.934 30.586 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.894 45.930 30.639 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.808 48.189 32.077 1.00 0.00 H new ATOM 0 HE1 HIS A 68 44.778 47.890 33.407 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.973 49.171 33.680 1.00 0.00 H new ATOM 1096 N LEU A 69 49.429 46.435 27.521 1.00 0.00 N ATOM 1097 CA LEU A 69 50.293 45.993 26.446 1.00 0.00 C ATOM 1098 C LEU A 69 51.721 45.778 26.953 1.00 0.00 C ATOM 1099 O LEU A 69 52.277 46.651 27.616 1.00 0.00 O ATOM 1100 CB LEU A 69 50.220 47.023 25.323 1.00 0.00 C ATOM 1101 CG LEU A 69 51.189 46.823 24.161 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.980 45.515 23.405 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.023 47.961 23.158 1.00 0.00 C ATOM 0 H LEU A 69 49.704 47.342 27.899 1.00 0.00 H new ATOM 0 HA LEU A 69 49.962 45.029 26.059 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.205 47.026 24.926 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.397 48.010 25.751 1.00 0.00 H new ATOM 0 HG LEU A 69 52.185 46.801 24.604 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.705 45.444 22.594 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.114 44.675 24.087 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.971 45.490 22.993 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.715 47.818 22.328 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.000 47.967 22.781 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.235 48.911 23.648 1.00 0.00 H new ATOM 1115 N VAL A 70 52.328 44.653 26.589 1.00 0.00 N ATOM 1116 CA VAL A 70 53.695 44.276 26.889 1.00 0.00 C ATOM 1117 C VAL A 70 54.426 43.907 25.596 1.00 0.00 C ATOM 1118 O VAL A 70 53.835 43.305 24.703 1.00 0.00 O ATOM 1119 CB VAL A 70 53.729 43.128 27.894 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.155 42.753 28.286 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.983 43.468 29.181 1.00 0.00 C ATOM 0 H VAL A 70 51.844 43.940 26.043 1.00 0.00 H new ATOM 0 HA VAL A 70 54.207 45.124 27.344 1.00 0.00 H new ATOM 0 HB VAL A 70 53.244 42.293 27.388 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.131 41.932 29.003 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.707 42.444 27.398 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.647 43.615 28.738 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.034 42.621 29.866 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.441 44.340 29.647 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.940 43.686 28.950 1.00 0.00 H new ATOM 1131 N LEU A 71 55.700 44.271 25.483 1.00 0.00 N ATOM 1132 CA LEU A 71 56.537 44.001 24.332 1.00 0.00 C ATOM 1133 C LEU A 71 57.431 42.778 24.550 1.00 0.00 C ATOM 1134 O LEU A 71 58.142 42.711 25.551 1.00 0.00 O ATOM 1135 CB LEU A 71 57.397 45.223 24.021 1.00 0.00 C ATOM 1136 CG LEU A 71 56.745 46.367 23.249 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.499 45.980 21.794 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.439 46.899 23.832 1.00 0.00 C ATOM 0 H LEU A 71 56.189 44.780 26.219 1.00 0.00 H new ATOM 0 HA LEU A 71 55.882 43.785 23.488 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.767 45.623 24.965 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.266 44.887 23.455 1.00 0.00 H new ATOM 0 HG LEU A 71 57.473 47.174 23.330 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.034 46.814 21.269 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.448 45.735 21.317 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.839 45.113 21.755 1.00 0.00 H new ATOM 0 HD21 LEU A 71 55.064 47.708 23.205 1.00 0.00 H new ATOM 0 HD22 LEU A 71 54.703 46.096 23.867 1.00 0.00 H new ATOM 0 HD23 LEU A 71 55.616 47.273 24.840 1.00 0.00 H new ATOM 1150 N ARG A 72 57.448 41.861 23.588 1.00 0.00 N ATOM 1151 CA ARG A 72 58.353 40.731 23.514 1.00 0.00 C ATOM 1152 C ARG A 72 59.795 41.135 23.203 1.00 0.00 C ATOM 1153 O ARG A 72 60.071 42.267 22.811 1.00 0.00 O ATOM 1154 CB ARG A 72 57.839 39.732 22.481 1.00 0.00 C ATOM 1155 CG ARG A 72 56.557 39.006 22.878 1.00 0.00 C ATOM 1156 CD ARG A 72 56.060 38.178 21.697 1.00 0.00 C ATOM 1157 NE ARG A 72 55.149 37.108 22.104 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.352 36.408 21.284 1.00 0.00 C ATOM 1159 NH1 ARG A 72 54.198 36.721 19.990 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.675 35.348 21.746 1.00 0.00 N ATOM 0 H ARG A 72 56.797 41.892 22.803 1.00 0.00 H new ATOM 0 HA ARG A 72 58.375 40.268 24.501 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.667 40.258 21.542 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.617 38.991 22.294 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.742 38.361 23.737 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.796 39.726 23.178 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.553 38.832 20.988 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.914 37.745 21.177 1.00 0.00 H new ATOM 0 HE ARG A 72 55.118 36.875 23.096 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.697 37.518 19.595 1.00 0.00 H new ATOM 0 HH12 ARG A 72 53.582 36.162 19.400 1.00 0.00 H new ATOM 0 HH21 ARG A 72 53.765 35.072 22.724 1.00 0.00 H new ATOM 0 HH22 ARG A 72 53.069 34.817 21.120 1.00 0.00 H new ATOM 1174 N LEU A 73 60.733 40.213 23.403 1.00 0.00 N ATOM 1175 CA LEU A 73 62.145 40.510 23.529 1.00 0.00 C ATOM 1176 C LEU A 73 62.918 40.606 22.212 1.00 0.00 C ATOM 1177 O LEU A 73 64.022 41.147 22.230 1.00 0.00 O ATOM 1178 CB LEU A 73 62.789 39.485 24.459 1.00 0.00 C ATOM 1179 CG LEU A 73 62.629 39.743 25.955 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.186 39.698 26.447 1.00 0.00 C ATOM 1181 CD2 LEU A 73 63.414 38.685 26.725 1.00 0.00 C ATOM 0 H LEU A 73 60.521 39.218 23.483 1.00 0.00 H new ATOM 0 HA LEU A 73 62.204 41.515 23.947 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.369 38.505 24.233 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.854 39.436 24.231 1.00 0.00 H new ATOM 0 HG LEU A 73 62.999 40.753 26.128 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.161 39.891 27.519 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.601 40.457 25.928 1.00 0.00 H new ATOM 0 HD13 LEU A 73 60.764 38.714 26.246 1.00 0.00 H new ATOM 0 HD21 LEU A 73 63.307 38.860 27.796 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.029 37.695 26.479 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.468 38.743 26.452 1.00 0.00 H new ATOM 1193 N ARG A 74 62.424 40.082 21.094 1.00 0.00 N ATOM 1194 CA ARG A 74 63.190 39.889 19.879 1.00 0.00 C ATOM 1195 C ARG A 74 62.578 40.554 18.646 1.00 0.00 C ATOM 1196 O ARG A 74 61.377 40.454 18.406 1.00 0.00 O ATOM 1197 CB ARG A 74 63.416 38.400 19.630 1.00 0.00 C ATOM 1198 CG ARG A 74 64.251 37.738 20.722 1.00 0.00 C ATOM 1199 CD ARG A 74 64.528 36.275 20.385 1.00 0.00 C ATOM 1200 NE ARG A 74 65.269 35.603 21.453 1.00 0.00 N ATOM 1201 CZ ARG A 74 64.787 35.098 22.596 1.00 0.00 C ATOM 1202 NH1 ARG A 74 63.503 35.189 22.969 1.00 0.00 N ATOM 1203 NH2 ARG A 74 65.599 34.454 23.446 1.00 0.00 N ATOM 0 H ARG A 74 61.455 39.774 21.012 1.00 0.00 H new ATOM 0 HA ARG A 74 64.146 40.388 20.040 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.451 37.897 19.562 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.913 38.268 18.669 1.00 0.00 H new ATOM 0 HG2 ARG A 74 65.193 38.273 20.839 1.00 0.00 H new ATOM 0 HG3 ARG A 74 63.727 37.803 21.676 1.00 0.00 H new ATOM 0 HD2 ARG A 74 63.585 35.756 20.215 1.00 0.00 H new ATOM 0 HD3 ARG A 74 65.096 36.217 19.456 1.00 0.00 H new ATOM 0 HE ARG A 74 66.274 35.508 21.310 1.00 0.00 H new ATOM 0 HH11 ARG A 74 62.830 35.665 22.368 1.00 0.00 H new ATOM 0 HH12 ARG A 74 63.199 34.782 23.854 1.00 0.00 H new ATOM 0 HH21 ARG A 74 66.589 34.347 23.224 1.00 0.00 H new ATOM 0 HH22 ARG A 74 65.227 34.071 24.315 1.00 0.00 H new ATOM 1217 N GLY A 75 63.424 41.172 17.826 1.00 0.00 N ATOM 1218 CA GLY A 75 63.061 41.816 16.580 1.00 0.00 C ATOM 1219 C GLY A 75 64.268 42.369 15.819 1.00 0.00 C ATOM 1220 O GLY A 75 65.369 42.434 16.361 1.00 0.00 O ATOM 0 H GLY A 75 64.422 41.237 18.026 1.00 0.00 H new ATOM 0 HA2 GLY A 75 62.536 41.101 15.947 1.00 0.00 H new ATOM 0 HA3 GLY A 75 62.365 42.629 16.787 1.00 0.00 H new ATOM 1224 N GLY A 76 64.049 42.781 14.573 1.00 0.00 N ATOM 1225 CA GLY A 76 65.070 43.263 13.665 1.00 0.00 C ATOM 1226 C GLY A 76 65.855 42.143 12.978 1.00 0.00 C ATOM 1227 O GLY A 76 67.017 42.388 12.586 1.00 0.00 O ATOM 1228 OXT GLY A 76 65.309 41.035 12.788 1.00 0.00 O ATOM 0 H GLY A 76 63.117 42.786 14.158 1.00 0.00 H new ATOM 0 HA2 GLY A 76 64.602 43.888 12.904 1.00 0.00 H new ATOM 0 HA3 GLY A 76 65.764 43.898 14.216 1.00 0.00 H new TER 1232 GLY A 76