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 60 ASN : amide:sc= 0.747 K(o=1.6,f=-0.84) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.856 K(o=1.6,f=-0.6) USER MOD Set 2.1: A 55 THR OG1 : rot -77:sc= 2.28 USER MOD Set 2.2: A 57 SER OG : rot -31:sc= 1.22 USER MOD Set 3.1: A 22 THR OG1 : rot -72:sc= 0.601 USER MOD Set 3.2: A 25 ASN : amide:sc= 0.685 K(o=1.3,f=-4.1!) USER MOD Set 4.1: A 7 THR OG1 : rot 120:sc= 0.0259 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0.00378 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= 2.37 (180deg=2.33) USER MOD Single : A 2 GLN : amide:sc= -0.0524 X(o=-0.052,f=-0.32) USER MOD Single : A 6 LYS NZ :NH3+ 153:sc= 1.06 (180deg=0.37) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0.915 (180deg=0.211) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.14 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0098 USER MOD Single : A 27 LYS NZ :NH3+ 134:sc= 0.908 (180deg=0.497) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 2.31 (180deg=2.16) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 33 LYS NZ :NH3+ 144:sc= 0.361 (180deg=-0.00152) USER MOD Single : A 40 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.94) USER MOD Single : A 41 GLN : amide:sc= 0.882 K(o=0.88,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.204 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 65:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.044 52.171 19.550 1.00 0.00 N ATOM 2 CA MET A 1 33.283 52.613 20.932 1.00 0.00 C ATOM 3 C MET A 1 34.781 52.844 21.145 1.00 0.00 C ATOM 4 O MET A 1 35.593 52.220 20.467 1.00 0.00 O ATOM 5 CB MET A 1 32.716 51.633 21.957 1.00 0.00 C ATOM 6 CG MET A 1 33.411 50.275 21.983 1.00 0.00 C ATOM 7 SD MET A 1 32.755 49.122 23.215 1.00 0.00 S ATOM 8 CE MET A 1 33.876 47.727 22.945 1.00 0.00 C ATOM 0 H1 MET A 1 32.030 51.982 19.416 1.00 0.00 H new ATOM 0 H2 MET A 1 33.347 52.915 18.890 1.00 0.00 H new ATOM 0 H3 MET A 1 33.585 51.303 19.365 1.00 0.00 H new ATOM 0 HA MET A 1 32.754 53.554 21.086 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.785 52.082 22.948 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.657 51.481 21.749 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.328 49.819 20.996 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.473 50.428 22.175 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.617 46.916 23.625 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.784 47.381 21.916 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.902 48.044 23.131 1.00 0.00 H new ATOM 20 N GLN A 2 35.158 53.688 22.101 1.00 0.00 N ATOM 21 CA GLN A 2 36.540 53.853 22.506 1.00 0.00 C ATOM 22 C GLN A 2 36.963 52.777 23.507 1.00 0.00 C ATOM 23 O GLN A 2 36.203 52.415 24.401 1.00 0.00 O ATOM 24 CB GLN A 2 36.785 55.251 23.070 1.00 0.00 C ATOM 25 CG GLN A 2 36.735 56.302 21.965 1.00 0.00 C ATOM 26 CD GLN A 2 37.200 57.695 22.392 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.448 58.001 23.556 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.383 58.600 21.435 1.00 0.00 N ATOM 0 H GLN A 2 34.505 54.278 22.616 1.00 0.00 H new ATOM 0 HA GLN A 2 37.158 53.736 21.616 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.035 55.478 23.827 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.756 55.283 23.564 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.354 55.966 21.133 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.713 56.372 21.594 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.182 58.363 20.464 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.724 59.531 21.672 1.00 0.00 H new ATOM 37 N ILE A 3 38.212 52.330 23.402 1.00 0.00 N ATOM 38 CA ILE A 3 38.960 51.707 24.476 1.00 0.00 C ATOM 39 C ILE A 3 40.335 52.371 24.581 1.00 0.00 C ATOM 40 O ILE A 3 40.788 53.004 23.630 1.00 0.00 O ATOM 41 CB ILE A 3 39.074 50.192 24.337 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.853 49.770 23.095 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.699 49.535 24.422 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.140 48.275 22.993 1.00 0.00 C ATOM 0 H ILE A 3 38.744 52.397 22.534 1.00 0.00 H new ATOM 0 HA ILE A 3 38.406 51.864 25.401 1.00 0.00 H new ATOM 0 HB ILE A 3 39.662 49.830 25.181 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.294 50.079 22.211 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.800 50.309 23.078 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.805 48.455 24.320 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.244 49.766 25.385 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.064 49.914 23.621 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.697 48.073 22.078 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.729 47.958 23.854 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.199 47.724 22.974 1.00 0.00 H new ATOM 56 N PHE A 4 41.024 52.199 25.705 1.00 0.00 N ATOM 57 CA PHE A 4 42.372 52.692 25.902 1.00 0.00 C ATOM 58 C PHE A 4 43.364 51.530 25.978 1.00 0.00 C ATOM 59 O PHE A 4 43.043 50.470 26.511 1.00 0.00 O ATOM 60 CB PHE A 4 42.420 53.595 27.132 1.00 0.00 C ATOM 61 CG PHE A 4 41.315 54.620 27.217 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.079 55.500 26.153 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.505 54.690 28.356 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.031 56.426 26.216 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.469 55.628 28.430 1.00 0.00 C ATOM 66 CZ PHE A 4 39.222 56.493 27.356 1.00 0.00 C ATOM 0 H PHE A 4 40.650 51.704 26.515 1.00 0.00 H new ATOM 0 HA PHE A 4 42.670 53.297 25.046 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.384 52.970 28.024 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.378 54.114 27.145 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.710 55.464 25.277 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.680 54.017 29.182 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.847 57.089 25.384 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.858 55.685 29.318 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.413 57.207 27.407 1.00 0.00 H new ATOM 76 N VAL A 5 44.574 51.711 25.457 1.00 0.00 N ATOM 77 CA VAL A 5 45.654 50.750 25.558 1.00 0.00 C ATOM 78 C VAL A 5 46.897 51.439 26.124 1.00 0.00 C ATOM 79 O VAL A 5 47.302 52.481 25.613 1.00 0.00 O ATOM 80 CB VAL A 5 45.952 50.067 24.227 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.044 49.012 24.378 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.714 49.378 23.660 1.00 0.00 C ATOM 0 H VAL A 5 44.831 52.553 24.941 1.00 0.00 H new ATOM 0 HA VAL A 5 45.342 49.958 26.239 1.00 0.00 H new ATOM 0 HB VAL A 5 46.281 50.854 23.548 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.233 48.543 23.412 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.958 49.484 24.738 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.721 48.254 25.092 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.964 48.903 22.712 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.364 48.623 24.363 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.928 50.116 23.499 1.00 0.00 H new ATOM 92 N LYS A 6 47.496 50.854 27.158 1.00 0.00 N ATOM 93 CA LYS A 6 48.650 51.385 27.855 1.00 0.00 C ATOM 94 C LYS A 6 49.858 50.445 27.875 1.00 0.00 C ATOM 95 O LYS A 6 49.705 49.227 27.919 1.00 0.00 O ATOM 96 CB LYS A 6 48.267 51.844 29.258 1.00 0.00 C ATOM 97 CG LYS A 6 47.865 50.716 30.204 1.00 0.00 C ATOM 98 CD LYS A 6 47.594 51.213 31.621 1.00 0.00 C ATOM 99 CE LYS A 6 48.782 51.085 32.571 1.00 0.00 C ATOM 100 NZ LYS A 6 49.921 51.937 32.194 1.00 0.00 N ATOM 0 H LYS A 6 47.175 49.966 27.542 1.00 0.00 H new ATOM 0 HA LYS A 6 48.979 52.250 27.280 1.00 0.00 H new ATOM 0 HB2 LYS A 6 49.109 52.383 29.693 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.440 52.550 29.183 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.973 50.223 29.818 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.657 49.968 30.230 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.292 52.259 31.575 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.752 50.657 32.034 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.461 51.344 33.580 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.108 50.045 32.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.475 52.171 33.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 50.524 51.430 31.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.570 52.813 31.757 1.00 0.00 H new ATOM 114 N THR A 7 51.058 51.014 27.927 1.00 0.00 N ATOM 115 CA THR A 7 52.278 50.291 28.227 1.00 0.00 C ATOM 116 C THR A 7 52.498 50.188 29.739 1.00 0.00 C ATOM 117 O THR A 7 51.978 50.996 30.505 1.00 0.00 O ATOM 118 CB THR A 7 53.495 50.917 27.554 1.00 0.00 C ATOM 119 OG1 THR A 7 53.742 52.215 28.048 1.00 0.00 O ATOM 120 CG2 THR A 7 53.330 51.019 26.040 1.00 0.00 C ATOM 0 H THR A 7 51.207 52.009 27.758 1.00 0.00 H new ATOM 0 HA THR A 7 52.159 49.286 27.822 1.00 0.00 H new ATOM 0 HB THR A 7 54.332 50.257 27.783 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.637 52.249 28.445 1.00 0.00 H new ATOM 0 HG21 THR A 7 54.222 51.471 25.606 1.00 0.00 H new ATOM 0 HG22 THR A 7 53.188 50.023 25.622 1.00 0.00 H new ATOM 0 HG23 THR A 7 52.462 51.636 25.809 1.00 0.00 H new ATOM 128 N LEU A 8 53.312 49.234 30.179 1.00 0.00 N ATOM 129 CA LEU A 8 53.761 49.116 31.552 1.00 0.00 C ATOM 130 C LEU A 8 54.741 50.211 31.980 1.00 0.00 C ATOM 131 O LEU A 8 55.176 50.249 33.128 1.00 0.00 O ATOM 132 CB LEU A 8 54.323 47.719 31.796 1.00 0.00 C ATOM 133 CG LEU A 8 53.364 46.556 31.558 1.00 0.00 C ATOM 134 CD1 LEU A 8 54.093 45.243 31.827 1.00 0.00 C ATOM 135 CD2 LEU A 8 52.132 46.608 32.458 1.00 0.00 C ATOM 0 H LEU A 8 53.684 48.505 29.571 1.00 0.00 H new ATOM 0 HA LEU A 8 52.887 49.265 32.187 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.193 47.583 31.154 1.00 0.00 H new ATOM 0 HB3 LEU A 8 54.676 47.667 32.826 1.00 0.00 H new ATOM 0 HG LEU A 8 53.028 46.628 30.524 1.00 0.00 H new ATOM 0 HD11 LEU A 8 53.413 44.408 31.659 1.00 0.00 H new ATOM 0 HD12 LEU A 8 54.947 45.157 31.155 1.00 0.00 H new ATOM 0 HD13 LEU A 8 54.441 45.225 32.860 1.00 0.00 H new ATOM 0 HD21 LEU A 8 51.488 45.756 32.243 1.00 0.00 H new ATOM 0 HD22 LEU A 8 52.443 46.573 33.502 1.00 0.00 H new ATOM 0 HD23 LEU A 8 51.585 47.532 32.273 1.00 0.00 H new ATOM 147 N THR A 9 55.066 51.135 31.081 1.00 0.00 N ATOM 148 CA THR A 9 55.827 52.350 31.292 1.00 0.00 C ATOM 149 C THR A 9 54.974 53.610 31.134 1.00 0.00 C ATOM 150 O THR A 9 55.481 54.715 30.954 1.00 0.00 O ATOM 151 CB THR A 9 57.091 52.357 30.437 1.00 0.00 C ATOM 152 OG1 THR A 9 56.861 51.834 29.148 1.00 0.00 O ATOM 153 CG2 THR A 9 58.192 51.516 31.077 1.00 0.00 C ATOM 0 H THR A 9 54.777 51.040 30.107 1.00 0.00 H new ATOM 0 HA THR A 9 56.154 52.363 32.332 1.00 0.00 H new ATOM 0 HB THR A 9 57.395 53.401 30.363 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.694 51.858 28.632 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.081 51.539 30.446 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.434 51.921 32.060 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.849 50.487 31.183 1.00 0.00 H new ATOM 161 N GLY A 10 53.656 53.481 31.248 1.00 0.00 N ATOM 162 CA GLY A 10 52.749 54.581 31.509 1.00 0.00 C ATOM 163 C GLY A 10 52.344 55.449 30.317 1.00 0.00 C ATOM 164 O GLY A 10 51.704 56.472 30.549 1.00 0.00 O ATOM 0 H GLY A 10 53.182 52.582 31.158 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.841 54.173 31.954 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.208 55.227 32.257 1.00 0.00 H new ATOM 168 N LYS A 11 52.673 55.082 29.081 1.00 0.00 N ATOM 169 CA LYS A 11 52.106 55.693 27.896 1.00 0.00 C ATOM 170 C LYS A 11 50.728 55.092 27.611 1.00 0.00 C ATOM 171 O LYS A 11 50.579 53.882 27.767 1.00 0.00 O ATOM 172 CB LYS A 11 53.053 55.552 26.708 1.00 0.00 C ATOM 173 CG LYS A 11 52.541 56.323 25.494 1.00 0.00 C ATOM 174 CD LYS A 11 53.478 56.311 24.289 1.00 0.00 C ATOM 175 CE LYS A 11 52.901 57.293 23.273 1.00 0.00 C ATOM 176 NZ LYS A 11 53.531 57.203 21.947 1.00 0.00 N ATOM 0 H LYS A 11 53.348 54.344 28.879 1.00 0.00 H new ATOM 0 HA LYS A 11 51.975 56.761 28.069 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.042 55.919 26.983 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.164 54.498 26.452 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.580 55.905 25.194 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.361 57.357 25.787 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.487 56.604 24.580 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.547 55.310 23.863 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.831 57.111 23.171 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.017 58.308 23.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.950 57.713 21.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.479 57.628 21.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.610 56.204 21.667 1.00 0.00 H new ATOM 190 N THR A 12 49.761 55.888 27.164 1.00 0.00 N ATOM 191 CA THR A 12 48.421 55.459 26.818 1.00 0.00 C ATOM 192 C THR A 12 47.962 56.036 25.478 1.00 0.00 C ATOM 193 O THR A 12 48.247 57.189 25.159 1.00 0.00 O ATOM 194 CB THR A 12 47.425 55.799 27.922 1.00 0.00 C ATOM 195 OG1 THR A 12 47.812 55.198 29.137 1.00 0.00 O ATOM 196 CG2 THR A 12 46.014 55.276 27.668 1.00 0.00 C ATOM 0 H THR A 12 49.901 56.889 27.030 1.00 0.00 H new ATOM 0 HA THR A 12 48.455 54.375 26.713 1.00 0.00 H new ATOM 0 HB THR A 12 47.422 56.889 27.953 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.164 55.427 29.836 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.366 55.559 28.498 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.628 55.705 26.744 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.039 54.190 27.581 1.00 0.00 H new ATOM 204 N ILE A 13 47.232 55.241 24.701 1.00 0.00 N ATOM 205 CA ILE A 13 46.577 55.606 23.460 1.00 0.00 C ATOM 206 C ILE A 13 45.094 55.229 23.481 1.00 0.00 C ATOM 207 O ILE A 13 44.694 54.325 24.211 1.00 0.00 O ATOM 208 CB ILE A 13 47.275 54.989 22.251 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.325 53.464 22.305 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.664 55.593 22.074 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.778 52.797 21.010 1.00 0.00 C ATOM 0 H ILE A 13 47.075 54.262 24.942 1.00 0.00 H new ATOM 0 HA ILE A 13 46.649 56.690 23.367 1.00 0.00 H new ATOM 0 HB ILE A 13 46.676 55.234 21.374 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.999 53.164 23.108 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.334 53.090 22.564 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.149 55.143 21.208 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.576 56.669 21.922 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.261 55.400 22.965 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.783 51.715 21.141 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.092 53.062 20.205 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.782 53.137 20.758 1.00 0.00 H new ATOM 223 N THR A 14 44.287 55.872 22.642 1.00 0.00 N ATOM 224 CA THR A 14 42.892 55.553 22.416 1.00 0.00 C ATOM 225 C THR A 14 42.739 54.778 21.106 1.00 0.00 C ATOM 226 O THR A 14 43.296 55.196 20.093 1.00 0.00 O ATOM 227 CB THR A 14 42.026 56.809 22.359 1.00 0.00 C ATOM 228 OG1 THR A 14 42.163 57.571 23.538 1.00 0.00 O ATOM 229 CG2 THR A 14 40.539 56.502 22.210 1.00 0.00 C ATOM 0 H THR A 14 44.606 56.661 22.081 1.00 0.00 H new ATOM 0 HA THR A 14 42.556 54.943 23.255 1.00 0.00 H new ATOM 0 HB THR A 14 42.376 57.355 21.483 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.688 57.127 24.271 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.977 57.435 22.175 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.373 55.944 21.288 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.203 55.907 23.060 1.00 0.00 H new ATOM 237 N LEU A 15 41.958 53.701 21.111 1.00 0.00 N ATOM 238 CA LEU A 15 41.510 52.990 19.931 1.00 0.00 C ATOM 239 C LEU A 15 39.998 53.124 19.746 1.00 0.00 C ATOM 240 O LEU A 15 39.254 53.094 20.724 1.00 0.00 O ATOM 241 CB LEU A 15 41.868 51.510 20.023 1.00 0.00 C ATOM 242 CG LEU A 15 43.325 51.162 20.318 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.470 49.642 20.287 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.303 51.758 19.309 1.00 0.00 C ATOM 0 H LEU A 15 41.609 53.288 21.976 1.00 0.00 H new ATOM 0 HA LEU A 15 42.016 53.435 19.074 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.249 51.060 20.800 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.591 51.036 19.081 1.00 0.00 H new ATOM 0 HG LEU A 15 43.569 51.582 21.294 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.505 49.371 20.496 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.820 49.199 21.041 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.189 49.270 19.302 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.320 51.473 19.576 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.071 51.383 18.312 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.217 52.845 19.317 1.00 0.00 H new ATOM 256 N GLU A 16 39.538 53.177 18.499 1.00 0.00 N ATOM 257 CA GLU A 16 38.140 53.099 18.123 1.00 0.00 C ATOM 258 C GLU A 16 37.844 51.690 17.606 1.00 0.00 C ATOM 259 O GLU A 16 38.437 51.246 16.626 1.00 0.00 O ATOM 260 CB GLU A 16 37.833 54.197 17.110 1.00 0.00 C ATOM 261 CG GLU A 16 36.427 54.173 16.515 1.00 0.00 C ATOM 262 CD GLU A 16 35.306 54.340 17.543 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.286 55.346 18.285 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.379 53.501 17.552 1.00 0.00 O ATOM 0 H GLU A 16 40.158 53.280 17.695 1.00 0.00 H new ATOM 0 HA GLU A 16 37.485 53.268 18.978 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.988 55.163 17.590 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.554 54.127 16.295 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.345 54.967 15.773 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.284 53.229 15.989 1.00 0.00 H new ATOM 271 N VAL A 17 36.960 50.969 18.291 1.00 0.00 N ATOM 272 CA VAL A 17 36.745 49.541 18.160 1.00 0.00 C ATOM 273 C VAL A 17 35.266 49.151 18.177 1.00 0.00 C ATOM 274 O VAL A 17 34.425 49.872 18.710 1.00 0.00 O ATOM 275 CB VAL A 17 37.482 48.764 19.247 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.996 48.914 19.134 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.059 49.166 20.657 1.00 0.00 C ATOM 0 H VAL A 17 36.346 51.392 18.987 1.00 0.00 H new ATOM 0 HA VAL A 17 37.148 49.276 17.183 1.00 0.00 H new ATOM 0 HB VAL A 17 37.204 47.723 19.083 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.478 48.344 19.928 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.327 48.539 18.166 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.265 49.966 19.228 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.618 48.579 21.386 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.264 50.225 20.810 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.992 48.981 20.783 1.00 0.00 H new ATOM 287 N GLU A 18 34.972 47.958 17.669 1.00 0.00 N ATOM 288 CA GLU A 18 33.705 47.273 17.823 1.00 0.00 C ATOM 289 C GLU A 18 33.828 46.081 18.776 1.00 0.00 C ATOM 290 O GLU A 18 34.885 45.455 18.798 1.00 0.00 O ATOM 291 CB GLU A 18 33.200 46.815 16.458 1.00 0.00 C ATOM 292 CG GLU A 18 32.314 47.860 15.787 1.00 0.00 C ATOM 293 CD GLU A 18 30.883 47.790 16.326 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.154 46.839 15.973 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.439 48.685 17.077 1.00 0.00 O ATOM 0 H GLU A 18 35.643 47.424 17.116 1.00 0.00 H new ATOM 0 HA GLU A 18 32.988 47.969 18.258 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.051 46.596 15.813 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.640 45.887 16.573 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.724 48.855 15.960 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.309 47.700 14.709 1.00 0.00 H new ATOM 302 N PRO A 19 32.785 45.686 19.499 1.00 0.00 N ATOM 303 CA PRO A 19 32.802 44.498 20.328 1.00 0.00 C ATOM 304 C PRO A 19 33.209 43.205 19.618 1.00 0.00 C ATOM 305 O PRO A 19 33.749 42.299 20.249 1.00 0.00 O ATOM 306 CB PRO A 19 31.386 44.369 20.886 1.00 0.00 C ATOM 307 CG PRO A 19 30.887 45.810 20.928 1.00 0.00 C ATOM 308 CD PRO A 19 31.548 46.415 19.693 1.00 0.00 C ATOM 0 HA PRO A 19 33.569 44.623 21.093 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.759 43.745 20.249 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.385 43.915 21.877 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.800 45.866 20.877 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.190 46.319 21.843 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.901 46.323 18.821 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.741 47.478 19.836 1.00 0.00 H new ATOM 316 N SER A 20 32.980 43.120 18.310 1.00 0.00 N ATOM 317 CA SER A 20 33.363 42.010 17.461 1.00 0.00 C ATOM 318 C SER A 20 34.787 42.078 16.905 1.00 0.00 C ATOM 319 O SER A 20 35.177 41.155 16.194 1.00 0.00 O ATOM 320 CB SER A 20 32.333 41.853 16.346 1.00 0.00 C ATOM 321 OG SER A 20 32.095 43.054 15.648 1.00 0.00 O ATOM 0 H SER A 20 32.501 43.859 17.796 1.00 0.00 H new ATOM 0 HA SER A 20 33.374 41.125 18.097 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.677 41.093 15.645 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.396 41.494 16.771 1.00 0.00 H new ATOM 0 HG SER A 20 31.430 42.898 14.945 1.00 0.00 H new ATOM 327 N ASP A 21 35.572 43.111 17.194 1.00 0.00 N ATOM 328 CA ASP A 21 36.946 43.198 16.740 1.00 0.00 C ATOM 329 C ASP A 21 37.799 42.110 17.394 1.00 0.00 C ATOM 330 O ASP A 21 37.764 41.923 18.609 1.00 0.00 O ATOM 331 CB ASP A 21 37.542 44.578 17.003 1.00 0.00 C ATOM 332 CG ASP A 21 37.085 45.675 16.042 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.360 46.863 16.321 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.510 45.371 14.975 1.00 0.00 O ATOM 0 H ASP A 21 35.268 43.910 17.751 1.00 0.00 H new ATOM 0 HA ASP A 21 36.945 43.041 15.661 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.289 44.878 18.020 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.628 44.503 16.954 1.00 0.00 H new ATOM 339 N THR A 22 38.576 41.394 16.585 1.00 0.00 N ATOM 340 CA THR A 22 39.453 40.324 17.015 1.00 0.00 C ATOM 341 C THR A 22 40.727 40.845 17.683 1.00 0.00 C ATOM 342 O THR A 22 41.007 42.041 17.651 1.00 0.00 O ATOM 343 CB THR A 22 39.827 39.402 15.858 1.00 0.00 C ATOM 344 OG1 THR A 22 40.551 40.125 14.887 1.00 0.00 O ATOM 345 CG2 THR A 22 38.611 38.761 15.196 1.00 0.00 C ATOM 0 H THR A 22 38.609 41.554 15.578 1.00 0.00 H new ATOM 0 HA THR A 22 38.888 39.756 17.754 1.00 0.00 H new ATOM 0 HB THR A 22 40.435 38.600 16.277 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.945 40.729 14.410 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.938 38.116 14.380 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.067 38.168 15.931 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.958 39.540 14.803 1.00 0.00 H new ATOM 353 N ILE A 23 41.529 39.967 18.278 1.00 0.00 N ATOM 354 CA ILE A 23 42.836 40.333 18.786 1.00 0.00 C ATOM 355 C ILE A 23 43.721 40.830 17.642 1.00 0.00 C ATOM 356 O ILE A 23 44.381 41.857 17.781 1.00 0.00 O ATOM 357 CB ILE A 23 43.475 39.187 19.565 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.577 38.578 20.639 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.792 39.618 20.203 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.777 39.540 21.512 1.00 0.00 C ATOM 0 H ILE A 23 41.287 38.986 18.419 1.00 0.00 H new ATOM 0 HA ILE A 23 42.721 41.152 19.496 1.00 0.00 H new ATOM 0 HB ILE A 23 43.650 38.412 18.819 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.874 37.904 20.149 1.00 0.00 H new ATOM 0 HG13 ILE A 23 43.200 37.968 21.293 1.00 0.00 H new ATOM 0 HG21 ILE A 23 45.222 38.780 20.751 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.486 39.938 19.425 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.610 40.445 20.889 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.184 38.973 22.230 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.460 40.200 22.046 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.114 40.135 20.884 1.00 0.00 H new ATOM 372 N GLU A 24 43.652 40.198 16.473 1.00 0.00 N ATOM 373 CA GLU A 24 44.311 40.632 15.259 1.00 0.00 C ATOM 374 C GLU A 24 43.874 42.023 14.794 1.00 0.00 C ATOM 375 O GLU A 24 44.732 42.818 14.414 1.00 0.00 O ATOM 376 CB GLU A 24 44.084 39.561 14.197 1.00 0.00 C ATOM 377 CG GLU A 24 44.680 39.863 12.827 1.00 0.00 C ATOM 378 CD GLU A 24 44.377 38.717 11.859 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.284 38.720 11.253 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.214 37.799 11.714 1.00 0.00 O ATOM 0 H GLU A 24 43.115 39.340 16.348 1.00 0.00 H new ATOM 0 HA GLU A 24 45.378 40.744 15.453 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.502 38.621 14.557 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.011 39.409 14.082 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.268 40.795 12.440 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.758 40.002 12.913 1.00 0.00 H new ATOM 387 N ASN A 25 42.591 42.358 14.886 1.00 0.00 N ATOM 388 CA ASN A 25 42.120 43.698 14.596 1.00 0.00 C ATOM 389 C ASN A 25 42.680 44.725 15.582 1.00 0.00 C ATOM 390 O ASN A 25 43.148 45.783 15.168 1.00 0.00 O ATOM 391 CB ASN A 25 40.597 43.768 14.596 1.00 0.00 C ATOM 392 CG ASN A 25 39.884 43.034 13.458 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.937 42.281 13.675 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.231 43.308 12.204 1.00 0.00 N ATOM 0 H ASN A 25 41.855 41.708 15.163 1.00 0.00 H new ATOM 0 HA ASN A 25 42.484 43.943 13.598 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.236 43.365 15.542 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.303 44.817 14.564 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.712 42.894 11.429 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.016 43.932 12.017 1.00 0.00 H new ATOM 401 N VAL A 26 42.671 44.438 16.880 1.00 0.00 N ATOM 402 CA VAL A 26 43.155 45.359 17.888 1.00 0.00 C ATOM 403 C VAL A 26 44.670 45.549 17.796 1.00 0.00 C ATOM 404 O VAL A 26 45.130 46.687 17.839 1.00 0.00 O ATOM 405 CB VAL A 26 42.673 44.966 19.281 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.322 45.789 20.391 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.169 45.205 19.378 1.00 0.00 C ATOM 0 H VAL A 26 42.326 43.556 17.258 1.00 0.00 H new ATOM 0 HA VAL A 26 42.721 46.339 17.688 1.00 0.00 H new ATOM 0 HB VAL A 26 42.942 43.918 19.416 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.939 45.462 21.358 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.403 45.649 20.363 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.089 46.844 20.246 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.820 44.926 20.372 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.956 46.259 19.202 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.656 44.601 18.630 1.00 0.00 H new ATOM 417 N LYS A 27 45.449 44.497 17.551 1.00 0.00 N ATOM 418 CA LYS A 27 46.866 44.618 17.276 1.00 0.00 C ATOM 419 C LYS A 27 47.153 45.452 16.026 1.00 0.00 C ATOM 420 O LYS A 27 48.110 46.225 16.019 1.00 0.00 O ATOM 421 CB LYS A 27 47.521 43.249 17.110 1.00 0.00 C ATOM 422 CG LYS A 27 47.670 42.433 18.391 1.00 0.00 C ATOM 423 CD LYS A 27 48.647 41.297 18.096 1.00 0.00 C ATOM 424 CE LYS A 27 48.846 40.338 19.265 1.00 0.00 C ATOM 425 NZ LYS A 27 49.972 39.431 18.995 1.00 0.00 N ATOM 0 H LYS A 27 45.107 43.536 17.539 1.00 0.00 H new ATOM 0 HA LYS A 27 47.291 45.129 18.140 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.935 42.669 16.397 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.509 43.389 16.672 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.041 43.058 19.203 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.705 42.037 18.709 1.00 0.00 H new ATOM 0 HD2 LYS A 27 48.287 40.735 17.234 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.612 41.722 17.819 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.035 40.902 20.179 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.936 39.760 19.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.582 39.375 19.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.608 38.484 18.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.524 39.792 18.191 1.00 0.00 H new ATOM 439 N ALA A 28 46.328 45.338 14.989 1.00 0.00 N ATOM 440 CA ALA A 28 46.445 46.153 13.796 1.00 0.00 C ATOM 441 C ALA A 28 46.084 47.618 14.049 1.00 0.00 C ATOM 442 O ALA A 28 46.754 48.502 13.517 1.00 0.00 O ATOM 443 CB ALA A 28 45.616 45.523 12.680 1.00 0.00 C ATOM 0 H ALA A 28 45.556 44.672 14.958 1.00 0.00 H new ATOM 0 HA ALA A 28 47.489 46.174 13.484 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.698 46.130 11.778 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.985 44.518 12.476 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.572 45.470 12.988 1.00 0.00 H new ATOM 449 N LYS A 29 45.125 47.910 14.922 1.00 0.00 N ATOM 450 CA LYS A 29 44.804 49.258 15.346 1.00 0.00 C ATOM 451 C LYS A 29 45.896 49.872 16.223 1.00 0.00 C ATOM 452 O LYS A 29 46.138 51.073 16.133 1.00 0.00 O ATOM 453 CB LYS A 29 43.423 49.283 15.996 1.00 0.00 C ATOM 454 CG LYS A 29 42.314 49.094 14.965 1.00 0.00 C ATOM 455 CD LYS A 29 40.911 49.080 15.564 1.00 0.00 C ATOM 456 CE LYS A 29 39.882 48.939 14.445 1.00 0.00 C ATOM 457 NZ LYS A 29 38.498 48.973 14.942 1.00 0.00 N ATOM 0 H LYS A 29 44.541 47.198 15.360 1.00 0.00 H new ATOM 0 HA LYS A 29 44.765 49.897 14.464 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.360 48.496 16.748 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.281 50.231 16.514 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.376 49.895 14.228 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.481 48.157 14.433 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.813 48.254 16.269 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.733 49.999 16.123 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.024 49.742 13.722 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.051 48.001 13.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.840 48.959 14.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.325 48.144 15.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.349 49.841 15.496 1.00 0.00 H new ATOM 471 N ILE A 30 46.628 49.068 16.992 1.00 0.00 N ATOM 472 CA ILE A 30 47.829 49.470 17.696 1.00 0.00 C ATOM 473 C ILE A 30 48.981 49.738 16.725 1.00 0.00 C ATOM 474 O ILE A 30 49.669 50.747 16.864 1.00 0.00 O ATOM 475 CB ILE A 30 48.197 48.452 18.771 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.140 48.435 19.871 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.569 48.724 19.383 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.200 47.212 20.784 1.00 0.00 C ATOM 0 H ILE A 30 46.388 48.088 17.142 1.00 0.00 H new ATOM 0 HA ILE A 30 47.627 50.412 18.205 1.00 0.00 H new ATOM 0 HB ILE A 30 48.238 47.478 18.284 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.251 49.333 20.479 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.153 48.482 19.411 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.784 47.972 20.142 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.330 48.681 18.604 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.574 49.713 19.840 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.414 47.281 21.537 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.057 46.308 20.192 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.172 47.173 21.276 1.00 0.00 H new ATOM 490 N GLN A 31 49.167 48.909 15.701 1.00 0.00 N ATOM 491 CA GLN A 31 50.111 49.150 14.628 1.00 0.00 C ATOM 492 C GLN A 31 49.803 50.457 13.893 1.00 0.00 C ATOM 493 O GLN A 31 50.722 51.211 13.581 1.00 0.00 O ATOM 494 CB GLN A 31 50.111 47.951 13.683 1.00 0.00 C ATOM 495 CG GLN A 31 51.068 48.100 12.504 1.00 0.00 C ATOM 496 CD GLN A 31 50.924 46.954 11.499 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.817 46.127 11.325 1.00 0.00 O ATOM 498 NE2 GLN A 31 49.813 46.857 10.775 1.00 0.00 N ATOM 0 H GLN A 31 48.652 48.035 15.598 1.00 0.00 H new ATOM 0 HA GLN A 31 51.110 49.265 15.048 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.378 47.056 14.245 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.101 47.799 13.303 1.00 0.00 H new ATOM 0 HG2 GLN A 31 50.879 49.049 12.001 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.094 48.133 12.872 1.00 0.00 H new ATOM 0 HE21 GLN A 31 49.060 47.533 10.904 1.00 0.00 H new ATOM 0 HE22 GLN A 31 49.714 46.107 10.091 1.00 0.00 H new ATOM 507 N ASP A 32 48.533 50.778 13.668 1.00 0.00 N ATOM 508 CA ASP A 32 48.101 52.025 13.071 1.00 0.00 C ATOM 509 C ASP A 32 48.423 53.257 13.919 1.00 0.00 C ATOM 510 O ASP A 32 48.742 54.312 13.376 1.00 0.00 O ATOM 511 CB ASP A 32 46.610 51.908 12.771 1.00 0.00 C ATOM 512 CG ASP A 32 46.000 53.221 12.277 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.209 53.554 11.090 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.300 53.894 13.063 1.00 0.00 O ATOM 0 H ASP A 32 47.759 50.157 13.904 1.00 0.00 H new ATOM 0 HA ASP A 32 48.662 52.183 12.150 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.455 51.135 12.018 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.087 51.586 13.671 1.00 0.00 H new ATOM 519 N LYS A 33 48.396 53.139 15.243 1.00 0.00 N ATOM 520 CA LYS A 33 48.682 54.218 16.167 1.00 0.00 C ATOM 521 C LYS A 33 50.172 54.424 16.446 1.00 0.00 C ATOM 522 O LYS A 33 50.621 55.567 16.445 1.00 0.00 O ATOM 523 CB LYS A 33 47.891 53.993 17.452 1.00 0.00 C ATOM 524 CG LYS A 33 46.398 54.253 17.274 1.00 0.00 C ATOM 525 CD LYS A 33 45.980 55.663 17.681 1.00 0.00 C ATOM 526 CE LYS A 33 44.490 55.868 17.421 1.00 0.00 C ATOM 527 NZ LYS A 33 43.998 57.113 18.031 1.00 0.00 N ATOM 0 H LYS A 33 48.167 52.262 15.711 1.00 0.00 H new ATOM 0 HA LYS A 33 48.365 55.147 15.692 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.040 52.968 17.791 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.280 54.647 18.233 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.129 54.088 16.231 1.00 0.00 H new ATOM 0 HG3 LYS A 33 45.837 53.530 17.866 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.198 55.824 18.737 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.559 56.397 17.121 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.308 55.892 16.347 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.931 55.022 17.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.278 57.541 17.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.578 56.903 18.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.789 57.777 18.152 1.00 0.00 H new ATOM 541 N GLU A 34 50.925 53.356 16.697 1.00 0.00 N ATOM 542 CA GLU A 34 52.285 53.403 17.194 1.00 0.00 C ATOM 543 C GLU A 34 53.325 52.746 16.283 1.00 0.00 C ATOM 544 O GLU A 34 54.520 52.971 16.463 1.00 0.00 O ATOM 545 CB GLU A 34 52.335 52.746 18.571 1.00 0.00 C ATOM 546 CG GLU A 34 51.569 53.459 19.680 1.00 0.00 C ATOM 547 CD GLU A 34 52.328 54.668 20.232 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.171 54.501 21.139 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.105 55.809 19.773 1.00 0.00 O ATOM 0 H GLU A 34 50.587 52.404 16.553 1.00 0.00 H new ATOM 0 HA GLU A 34 52.553 54.459 17.237 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.946 51.732 18.482 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.379 52.662 18.874 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.602 53.785 19.298 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.371 52.757 20.490 1.00 0.00 H new ATOM 556 N GLY A 35 52.918 51.928 15.315 1.00 0.00 N ATOM 557 CA GLY A 35 53.811 51.252 14.397 1.00 0.00 C ATOM 558 C GLY A 35 54.559 50.040 14.957 1.00 0.00 C ATOM 559 O GLY A 35 55.615 49.679 14.440 1.00 0.00 O ATOM 0 H GLY A 35 51.934 51.717 15.149 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.233 50.929 13.531 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.545 51.973 14.039 1.00 0.00 H new ATOM 563 N ILE A 36 54.036 49.419 16.010 1.00 0.00 N ATOM 564 CA ILE A 36 54.594 48.234 16.629 1.00 0.00 C ATOM 565 C ILE A 36 54.076 47.002 15.884 1.00 0.00 C ATOM 566 O ILE A 36 52.862 46.819 15.853 1.00 0.00 O ATOM 567 CB ILE A 36 54.233 48.183 18.111 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.737 49.402 18.879 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.785 46.912 18.751 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.985 49.642 20.184 1.00 0.00 C ATOM 0 H ILE A 36 53.183 49.742 16.467 1.00 0.00 H new ATOM 0 HA ILE A 36 55.682 48.257 16.565 1.00 0.00 H new ATOM 0 HB ILE A 36 53.144 48.184 18.168 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.797 49.274 19.096 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.646 50.285 18.247 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.519 46.891 19.808 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.361 46.040 18.253 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.870 46.896 18.650 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.391 50.523 20.681 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.928 49.801 19.971 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.097 48.774 20.834 1.00 0.00 H new ATOM 582 N PRO A 37 54.918 46.144 15.314 1.00 0.00 N ATOM 583 CA PRO A 37 54.476 44.951 14.620 1.00 0.00 C ATOM 584 C PRO A 37 53.659 44.010 15.507 1.00 0.00 C ATOM 585 O PRO A 37 54.069 43.785 16.643 1.00 0.00 O ATOM 586 CB PRO A 37 55.734 44.256 14.109 1.00 0.00 C ATOM 587 CG PRO A 37 56.750 45.391 14.007 1.00 0.00 C ATOM 588 CD PRO A 37 56.352 46.292 15.173 1.00 0.00 C ATOM 0 HA PRO A 37 53.806 45.229 13.806 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.069 43.477 14.794 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.566 43.780 13.143 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.774 45.030 14.104 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.684 45.911 13.051 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.867 45.999 16.088 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.620 47.330 14.975 1.00 0.00 H new ATOM 596 N PRO A 38 52.557 43.425 15.046 1.00 0.00 N ATOM 597 CA PRO A 38 51.708 42.569 15.850 1.00 0.00 C ATOM 598 C PRO A 38 52.403 41.404 16.557 1.00 0.00 C ATOM 599 O PRO A 38 52.039 41.086 17.688 1.00 0.00 O ATOM 600 CB PRO A 38 50.619 42.075 14.903 1.00 0.00 C ATOM 601 CG PRO A 38 50.462 43.255 13.948 1.00 0.00 C ATOM 602 CD PRO A 38 51.903 43.731 13.790 1.00 0.00 C ATOM 0 HA PRO A 38 51.325 43.150 16.688 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.916 41.165 14.381 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.691 41.852 15.430 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.025 42.954 12.996 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.819 44.032 14.362 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.394 43.224 12.959 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.941 44.800 13.579 1.00 0.00 H new ATOM 610 N ASP A 39 53.438 40.806 15.975 1.00 0.00 N ATOM 611 CA ASP A 39 54.175 39.735 16.614 1.00 0.00 C ATOM 612 C ASP A 39 54.965 40.194 17.842 1.00 0.00 C ATOM 613 O ASP A 39 55.194 39.391 18.744 1.00 0.00 O ATOM 614 CB ASP A 39 55.064 38.997 15.618 1.00 0.00 C ATOM 615 CG ASP A 39 56.434 39.649 15.422 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.529 40.641 14.667 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.415 39.148 16.011 1.00 0.00 O ATOM 0 H ASP A 39 53.785 41.054 15.048 1.00 0.00 H new ATOM 0 HA ASP A 39 53.428 39.032 16.983 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.204 37.971 15.959 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.554 38.946 14.656 1.00 0.00 H new ATOM 622 N GLN A 40 55.317 41.472 17.941 1.00 0.00 N ATOM 623 CA GLN A 40 55.959 42.036 19.110 1.00 0.00 C ATOM 624 C GLN A 40 54.976 42.329 20.245 1.00 0.00 C ATOM 625 O GLN A 40 55.413 42.607 21.360 1.00 0.00 O ATOM 626 CB GLN A 40 56.682 43.332 18.751 1.00 0.00 C ATOM 627 CG GLN A 40 57.822 43.150 17.754 1.00 0.00 C ATOM 628 CD GLN A 40 58.631 44.428 17.527 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.591 45.375 18.309 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.412 44.491 16.452 1.00 0.00 N ATOM 0 H GLN A 40 55.159 42.151 17.196 1.00 0.00 H new ATOM 0 HA GLN A 40 56.667 41.284 19.457 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.960 44.036 18.337 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.078 43.780 19.662 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.488 42.365 18.112 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.413 42.812 16.802 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.448 43.707 15.801 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.975 45.324 16.279 1.00 0.00 H new ATOM 639 N GLN A 41 53.673 42.308 19.983 1.00 0.00 N ATOM 640 CA GLN A 41 52.645 42.680 20.933 1.00 0.00 C ATOM 641 C GLN A 41 52.108 41.452 21.671 1.00 0.00 C ATOM 642 O GLN A 41 51.774 40.452 21.041 1.00 0.00 O ATOM 643 CB GLN A 41 51.493 43.392 20.228 1.00 0.00 C ATOM 644 CG GLN A 41 51.857 44.611 19.385 1.00 0.00 C ATOM 645 CD GLN A 41 50.626 45.228 18.718 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.524 45.203 19.261 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.721 45.793 17.517 1.00 0.00 N ATOM 0 H GLN A 41 53.299 42.023 19.078 1.00 0.00 H new ATOM 0 HA GLN A 41 53.097 43.357 21.658 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.990 42.671 19.584 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.771 43.703 20.983 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.342 45.357 20.015 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.578 44.322 18.621 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.622 45.829 17.040 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.893 46.190 17.073 1.00 0.00 H new ATOM 656 N ARG A 42 51.929 41.556 22.985 1.00 0.00 N ATOM 657 CA ARG A 42 51.012 40.745 23.760 1.00 0.00 C ATOM 658 C ARG A 42 50.019 41.653 24.487 1.00 0.00 C ATOM 659 O ARG A 42 50.432 42.638 25.094 1.00 0.00 O ATOM 660 CB ARG A 42 51.758 39.853 24.748 1.00 0.00 C ATOM 661 CG ARG A 42 52.565 38.758 24.054 1.00 0.00 C ATOM 662 CD ARG A 42 53.142 37.792 25.084 1.00 0.00 C ATOM 663 NE ARG A 42 53.808 36.664 24.432 1.00 0.00 N ATOM 664 CZ ARG A 42 55.123 36.458 24.275 1.00 0.00 C ATOM 665 NH1 ARG A 42 56.060 37.313 24.707 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.530 35.352 23.637 1.00 0.00 N ATOM 0 H ARG A 42 52.439 42.232 23.553 1.00 0.00 H new ATOM 0 HA ARG A 42 50.467 40.089 23.082 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.427 40.466 25.352 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.042 39.395 25.431 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.929 38.216 23.354 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.371 39.204 23.472 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.852 38.318 25.723 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.344 37.424 25.729 1.00 0.00 H new ATOM 0 HE ARG A 42 53.195 35.944 24.049 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.786 38.172 25.183 1.00 0.00 H new ATOM 0 HH12 ARG A 42 57.048 37.104 24.560 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.844 34.686 23.282 1.00 0.00 H new ATOM 0 HH22 ARG A 42 56.526 35.176 23.507 1.00 0.00 H new ATOM 680 N LEU A 43 48.729 41.338 24.418 1.00 0.00 N ATOM 681 CA LEU A 43 47.660 42.113 25.018 1.00 0.00 C ATOM 682 C LEU A 43 47.103 41.397 26.249 1.00 0.00 C ATOM 683 O LEU A 43 46.863 40.192 26.209 1.00 0.00 O ATOM 684 CB LEU A 43 46.575 42.410 23.987 1.00 0.00 C ATOM 685 CG LEU A 43 47.050 43.090 22.706 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.857 43.416 21.811 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.800 44.393 22.963 1.00 0.00 C ATOM 0 H LEU A 43 48.394 40.510 23.927 1.00 0.00 H new ATOM 0 HA LEU A 43 48.060 43.069 25.355 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.087 41.473 23.720 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.819 43.042 24.453 1.00 0.00 H new ATOM 0 HG LEU A 43 47.731 42.385 22.228 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.207 43.901 20.900 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.333 42.496 21.554 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.178 44.085 22.340 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.111 44.827 22.013 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.147 45.092 23.485 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.679 44.192 23.575 1.00 0.00 H new ATOM 699 N ILE A 44 46.933 42.134 27.342 1.00 0.00 N ATOM 700 CA ILE A 44 46.548 41.626 28.644 1.00 0.00 C ATOM 701 C ILE A 44 45.428 42.480 29.243 1.00 0.00 C ATOM 702 O ILE A 44 45.530 43.704 29.291 1.00 0.00 O ATOM 703 CB ILE A 44 47.753 41.516 29.574 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.882 40.707 28.943 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.350 40.917 30.918 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.124 40.504 29.806 1.00 0.00 C ATOM 0 H ILE A 44 47.067 43.145 27.339 1.00 0.00 H new ATOM 0 HA ILE A 44 46.157 40.616 28.520 1.00 0.00 H new ATOM 0 HB ILE A 44 48.125 42.526 29.743 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.491 39.727 28.669 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.183 41.200 28.019 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.226 40.849 31.563 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.600 41.553 31.390 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.935 39.921 30.763 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.858 39.916 29.255 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.553 41.473 30.060 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.850 39.978 30.720 1.00 0.00 H new ATOM 718 N PHE A 45 44.370 41.835 29.726 1.00 0.00 N ATOM 719 CA PHE A 45 43.265 42.464 30.419 1.00 0.00 C ATOM 720 C PHE A 45 42.631 41.518 31.441 1.00 0.00 C ATOM 721 O PHE A 45 42.585 40.309 31.222 1.00 0.00 O ATOM 722 CB PHE A 45 42.234 42.934 29.396 1.00 0.00 C ATOM 723 CG PHE A 45 41.103 43.746 29.983 1.00 0.00 C ATOM 724 CD1 PHE A 45 41.351 45.027 30.489 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.810 43.211 30.041 1.00 0.00 C ATOM 726 CE1 PHE A 45 40.306 45.784 31.032 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.762 43.970 30.577 1.00 0.00 C ATOM 728 CZ PHE A 45 39.010 45.255 31.074 1.00 0.00 C ATOM 0 H PHE A 45 44.261 40.825 29.639 1.00 0.00 H new ATOM 0 HA PHE A 45 43.642 43.323 30.974 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.739 43.531 28.637 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.817 42.063 28.891 1.00 0.00 H new ATOM 0 HD1 PHE A 45 42.351 45.433 30.461 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.621 42.214 29.673 1.00 0.00 H new ATOM 0 HE1 PHE A 45 40.499 46.774 31.418 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.762 43.564 30.607 1.00 0.00 H new ATOM 0 HZ PHE A 45 38.202 45.838 31.490 1.00 0.00 H new ATOM 738 N ALA A 46 42.134 42.048 32.554 1.00 0.00 N ATOM 739 CA ALA A 46 41.529 41.310 33.644 1.00 0.00 C ATOM 740 C ALA A 46 42.333 40.104 34.134 1.00 0.00 C ATOM 741 O ALA A 46 41.772 39.093 34.550 1.00 0.00 O ATOM 742 CB ALA A 46 40.074 41.010 33.299 1.00 0.00 C ATOM 0 H ALA A 46 42.146 43.054 32.723 1.00 0.00 H new ATOM 0 HA ALA A 46 41.544 41.948 34.528 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.613 40.455 34.116 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.536 41.946 33.147 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.032 40.415 32.387 1.00 0.00 H new ATOM 748 N GLY A 47 43.660 40.188 34.096 1.00 0.00 N ATOM 749 CA GLY A 47 44.582 39.146 34.499 1.00 0.00 C ATOM 750 C GLY A 47 44.838 38.043 33.470 1.00 0.00 C ATOM 751 O GLY A 47 45.589 37.119 33.778 1.00 0.00 O ATOM 0 H GLY A 47 44.138 41.027 33.767 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.536 39.610 34.750 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.202 38.684 35.410 1.00 0.00 H new ATOM 755 N LYS A 48 44.266 38.125 32.273 1.00 0.00 N ATOM 756 CA LYS A 48 44.432 37.185 31.183 1.00 0.00 C ATOM 757 C LYS A 48 45.177 37.800 29.996 1.00 0.00 C ATOM 758 O LYS A 48 44.864 38.912 29.577 1.00 0.00 O ATOM 759 CB LYS A 48 43.076 36.696 30.684 1.00 0.00 C ATOM 760 CG LYS A 48 42.319 35.839 31.695 1.00 0.00 C ATOM 761 CD LYS A 48 41.069 35.258 31.040 1.00 0.00 C ATOM 762 CE LYS A 48 40.373 34.305 32.007 1.00 0.00 C ATOM 763 NZ LYS A 48 39.228 33.628 31.380 1.00 0.00 N ATOM 0 H LYS A 48 43.641 38.893 32.030 1.00 0.00 H new ATOM 0 HA LYS A 48 45.018 36.357 31.581 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.463 37.559 30.422 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.222 36.120 29.770 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.959 35.035 32.057 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.042 36.440 32.561 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.390 36.062 30.755 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.339 34.730 30.126 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.087 33.560 32.360 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.033 34.860 32.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.782 32.989 32.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.535 34.337 31.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.556 33.078 30.561 1.00 0.00 H new ATOM 777 N GLN A 49 46.093 37.046 29.396 1.00 0.00 N ATOM 778 CA GLN A 49 46.557 37.296 28.047 1.00 0.00 C ATOM 779 C GLN A 49 45.446 36.975 27.044 1.00 0.00 C ATOM 780 O GLN A 49 44.767 35.960 27.182 1.00 0.00 O ATOM 781 CB GLN A 49 47.824 36.487 27.788 1.00 0.00 C ATOM 782 CG GLN A 49 48.388 36.673 26.382 1.00 0.00 C ATOM 783 CD GLN A 49 49.717 35.946 26.167 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.466 35.661 27.098 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.068 35.639 24.921 1.00 0.00 N ATOM 0 H GLN A 49 46.533 36.240 29.840 1.00 0.00 H new ATOM 0 HA GLN A 49 46.806 38.350 27.924 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.583 36.773 28.516 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.610 35.430 27.948 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.661 36.311 25.655 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.528 37.737 26.191 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.450 35.873 24.144 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.955 35.169 24.742 1.00 0.00 H new ATOM 794 N LEU A 50 45.253 37.822 26.038 1.00 0.00 N ATOM 795 CA LEU A 50 44.191 37.674 25.062 1.00 0.00 C ATOM 796 C LEU A 50 44.655 36.814 23.885 1.00 0.00 C ATOM 797 O LEU A 50 45.731 37.043 23.337 1.00 0.00 O ATOM 798 CB LEU A 50 43.660 39.045 24.650 1.00 0.00 C ATOM 799 CG LEU A 50 43.320 40.009 25.782 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.654 41.261 25.217 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.396 39.418 26.843 1.00 0.00 C ATOM 0 H LEU A 50 45.841 38.640 25.880 1.00 0.00 H new ATOM 0 HA LEU A 50 43.352 37.140 25.508 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.402 39.520 24.008 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.764 38.897 24.047 1.00 0.00 H new ATOM 0 HG LEU A 50 44.269 40.240 26.265 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.414 41.945 26.031 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.333 41.751 24.520 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.738 40.982 24.696 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.202 40.165 27.613 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.455 39.120 26.381 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.871 38.547 27.294 1.00 0.00 H new ATOM 813 N GLU A 51 43.871 35.799 23.535 1.00 0.00 N ATOM 814 CA GLU A 51 44.270 34.707 22.670 1.00 0.00 C ATOM 815 C GLU A 51 43.738 34.792 21.239 1.00 0.00 C ATOM 816 O GLU A 51 42.781 35.504 20.942 1.00 0.00 O ATOM 817 CB GLU A 51 43.898 33.380 23.326 1.00 0.00 C ATOM 818 CG GLU A 51 44.684 33.111 24.606 1.00 0.00 C ATOM 819 CD GLU A 51 44.222 31.845 25.330 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.929 30.817 24.681 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.122 31.858 26.576 1.00 0.00 O ATOM 0 H GLU A 51 42.908 35.716 23.860 1.00 0.00 H new ATOM 0 HA GLU A 51 45.351 34.782 22.557 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.832 33.379 23.553 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.075 32.569 22.620 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.743 33.020 24.364 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.582 33.965 25.276 1.00 0.00 H new ATOM 828 N ASP A 52 44.334 34.025 20.329 1.00 0.00 N ATOM 829 CA ASP A 52 44.088 34.118 18.905 1.00 0.00 C ATOM 830 C ASP A 52 42.650 33.771 18.519 1.00 0.00 C ATOM 831 O ASP A 52 42.084 32.778 18.973 1.00 0.00 O ATOM 832 CB ASP A 52 45.066 33.243 18.126 1.00 0.00 C ATOM 833 CG ASP A 52 46.493 33.795 18.173 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.823 34.681 17.356 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.291 33.329 19.015 1.00 0.00 O ATOM 0 H ASP A 52 45.016 33.307 20.574 1.00 0.00 H new ATOM 0 HA ASP A 52 44.245 35.163 18.639 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.054 32.233 18.536 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.740 33.170 17.089 1.00 0.00 H new ATOM 840 N GLY A 53 42.069 34.589 17.646 1.00 0.00 N ATOM 841 CA GLY A 53 40.731 34.448 17.108 1.00 0.00 C ATOM 842 C GLY A 53 39.604 34.949 18.012 1.00 0.00 C ATOM 843 O GLY A 53 38.465 35.038 17.559 1.00 0.00 O ATOM 0 H GLY A 53 42.550 35.410 17.279 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.680 34.985 16.161 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.556 33.395 16.887 1.00 0.00 H new ATOM 847 N ARG A 54 39.894 35.300 19.262 1.00 0.00 N ATOM 848 CA ARG A 54 38.950 35.858 20.209 1.00 0.00 C ATOM 849 C ARG A 54 38.685 37.337 19.924 1.00 0.00 C ATOM 850 O ARG A 54 39.468 37.996 19.245 1.00 0.00 O ATOM 851 CB ARG A 54 39.460 35.666 21.634 1.00 0.00 C ATOM 852 CG ARG A 54 39.860 34.243 22.015 1.00 0.00 C ATOM 853 CD ARG A 54 38.723 33.229 21.929 1.00 0.00 C ATOM 854 NE ARG A 54 39.210 31.913 22.342 1.00 0.00 N ATOM 855 CZ ARG A 54 38.529 30.760 22.374 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.240 30.644 22.023 1.00 0.00 N ATOM 857 NH2 ARG A 54 39.169 29.650 22.767 1.00 0.00 N ATOM 0 H ARG A 54 40.831 35.197 19.652 1.00 0.00 H new ATOM 0 HA ARG A 54 38.004 35.327 20.100 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.322 36.316 21.781 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.686 36.002 22.324 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.671 33.919 21.363 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.251 34.248 23.032 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.896 33.539 22.568 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.339 33.183 20.910 1.00 0.00 H new ATOM 0 HE ARG A 54 40.184 31.868 22.641 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.721 31.464 21.709 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.778 29.736 22.070 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.153 29.696 23.033 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.672 28.760 22.800 1.00 0.00 H new ATOM 871 N THR A 55 37.599 37.869 20.479 1.00 0.00 N ATOM 872 CA THR A 55 37.167 39.245 20.341 1.00 0.00 C ATOM 873 C THR A 55 37.063 39.972 21.683 1.00 0.00 C ATOM 874 O THR A 55 37.130 39.350 22.741 1.00 0.00 O ATOM 875 CB THR A 55 35.822 39.330 19.624 1.00 0.00 C ATOM 876 OG1 THR A 55 34.809 38.749 20.413 1.00 0.00 O ATOM 877 CG2 THR A 55 35.804 38.672 18.247 1.00 0.00 C ATOM 0 H THR A 55 36.970 37.320 21.065 1.00 0.00 H new ATOM 0 HA THR A 55 37.936 39.740 19.747 1.00 0.00 H new ATOM 0 HB THR A 55 35.644 40.395 19.473 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.872 37.773 20.359 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.813 38.777 17.806 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.540 39.154 17.604 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.047 37.614 18.346 1.00 0.00 H new ATOM 885 N LEU A 56 36.809 41.277 21.651 1.00 0.00 N ATOM 886 CA LEU A 56 36.446 42.038 22.829 1.00 0.00 C ATOM 887 C LEU A 56 35.208 41.462 23.520 1.00 0.00 C ATOM 888 O LEU A 56 35.167 41.397 24.747 1.00 0.00 O ATOM 889 CB LEU A 56 36.224 43.502 22.459 1.00 0.00 C ATOM 890 CG LEU A 56 37.430 44.238 21.883 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.069 45.701 21.642 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.645 44.212 22.806 1.00 0.00 C ATOM 0 H LEU A 56 36.851 41.835 20.798 1.00 0.00 H new ATOM 0 HA LEU A 56 37.272 41.971 23.538 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.412 43.553 21.734 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.890 44.034 23.350 1.00 0.00 H new ATOM 0 HG LEU A 56 37.689 43.723 20.958 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.931 46.226 21.231 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.239 45.760 20.938 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.779 46.164 22.585 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.468 44.752 22.339 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.392 44.686 23.754 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.944 43.179 22.985 1.00 0.00 H new ATOM 904 N SER A 57 34.226 40.990 22.757 1.00 0.00 N ATOM 905 CA SER A 57 33.029 40.365 23.278 1.00 0.00 C ATOM 906 C SER A 57 33.277 39.022 23.967 1.00 0.00 C ATOM 907 O SER A 57 32.639 38.752 24.983 1.00 0.00 O ATOM 908 CB SER A 57 31.961 40.255 22.194 1.00 0.00 C ATOM 909 OG SER A 57 32.252 39.299 21.197 1.00 0.00 O ATOM 0 H SER A 57 34.247 41.036 21.738 1.00 0.00 H new ATOM 0 HA SER A 57 32.662 41.023 24.065 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.009 40.000 22.660 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.834 41.230 21.723 1.00 0.00 H new ATOM 0 HG SER A 57 33.222 39.241 21.073 1.00 0.00 H new ATOM 915 N ASP A 58 34.232 38.214 23.515 1.00 0.00 N ATOM 916 CA ASP A 58 34.559 36.955 24.155 1.00 0.00 C ATOM 917 C ASP A 58 35.052 37.147 25.590 1.00 0.00 C ATOM 918 O ASP A 58 34.695 36.367 26.471 1.00 0.00 O ATOM 919 CB ASP A 58 35.617 36.183 23.374 1.00 0.00 C ATOM 920 CG ASP A 58 35.085 35.608 22.059 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.436 34.540 22.087 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.350 36.220 21.001 1.00 0.00 O ATOM 0 H ASP A 58 34.799 38.419 22.692 1.00 0.00 H new ATOM 0 HA ASP A 58 33.631 36.383 24.173 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.458 36.843 23.162 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.997 35.370 23.993 1.00 0.00 H new ATOM 927 N TYR A 59 35.818 38.206 25.840 1.00 0.00 N ATOM 928 CA TYR A 59 36.377 38.547 27.132 1.00 0.00 C ATOM 929 C TYR A 59 35.570 39.576 27.927 1.00 0.00 C ATOM 930 O TYR A 59 36.006 39.969 29.006 1.00 0.00 O ATOM 931 CB TYR A 59 37.834 38.957 26.943 1.00 0.00 C ATOM 932 CG TYR A 59 38.752 37.857 26.465 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.046 36.784 27.314 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.349 37.932 25.201 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.944 35.788 26.910 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.284 36.968 24.807 1.00 0.00 C ATOM 937 CZ TYR A 59 40.582 35.885 25.658 1.00 0.00 C ATOM 938 OH TYR A 59 41.485 34.939 25.270 1.00 0.00 O ATOM 0 H TYR A 59 36.073 38.874 25.112 1.00 0.00 H new ATOM 0 HA TYR A 59 36.324 37.657 27.758 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.874 39.779 26.228 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.213 39.340 27.890 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.578 36.724 28.286 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.087 38.736 24.528 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.147 34.947 27.557 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.777 37.054 23.850 1.00 0.00 H new ATOM 0 HH TYR A 59 41.252 34.078 25.676 1.00 0.00 H new ATOM 948 N ASN A 60 34.401 39.992 27.449 1.00 0.00 N ATOM 949 CA ASN A 60 33.547 40.997 28.050 1.00 0.00 C ATOM 950 C ASN A 60 34.256 42.330 28.294 1.00 0.00 C ATOM 951 O ASN A 60 34.306 42.833 29.414 1.00 0.00 O ATOM 952 CB ASN A 60 32.832 40.417 29.267 1.00 0.00 C ATOM 953 CG ASN A 60 31.667 41.276 29.763 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.265 42.275 29.171 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.066 40.906 30.890 1.00 0.00 N ATOM 0 H ASN A 60 34.008 39.614 26.587 1.00 0.00 H new ATOM 0 HA ASN A 60 32.773 41.265 27.331 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.459 39.423 29.019 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.552 40.295 30.076 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.282 41.449 31.252 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.389 40.079 31.392 1.00 0.00 H new ATOM 962 N ILE A 61 34.863 42.892 27.251 1.00 0.00 N ATOM 963 CA ILE A 61 35.573 44.154 27.281 1.00 0.00 C ATOM 964 C ILE A 61 34.650 45.255 26.755 1.00 0.00 C ATOM 965 O ILE A 61 33.993 45.082 25.730 1.00 0.00 O ATOM 966 CB ILE A 61 36.897 44.059 26.530 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.710 42.864 27.018 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.675 45.363 26.686 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.109 42.712 26.429 1.00 0.00 C ATOM 0 H ILE A 61 34.870 42.458 26.328 1.00 0.00 H new ATOM 0 HA ILE A 61 35.842 44.410 28.306 1.00 0.00 H new ATOM 0 HB ILE A 61 36.695 43.905 25.470 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.801 42.932 28.102 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.147 41.956 26.801 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.620 45.290 26.148 1.00 0.00 H new ATOM 0 HG22 ILE A 61 37.089 46.187 26.280 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.873 45.545 27.742 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.588 41.828 26.851 1.00 0.00 H new ATOM 0 HD12 ILE A 61 39.038 42.604 25.347 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.702 43.595 26.668 1.00 0.00 H new ATOM 981 N GLN A 62 34.565 46.373 27.470 1.00 0.00 N ATOM 982 CA GLN A 62 33.535 47.379 27.306 1.00 0.00 C ATOM 983 C GLN A 62 34.102 48.777 27.057 1.00 0.00 C ATOM 984 O GLN A 62 35.294 49.018 27.237 1.00 0.00 O ATOM 985 CB GLN A 62 32.614 47.327 28.522 1.00 0.00 C ATOM 986 CG GLN A 62 31.883 45.993 28.639 1.00 0.00 C ATOM 987 CD GLN A 62 30.758 45.984 29.676 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.145 46.997 30.006 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.389 44.816 30.196 1.00 0.00 N ATOM 0 H GLN A 62 35.236 46.606 28.202 1.00 0.00 H new ATOM 0 HA GLN A 62 32.960 47.155 26.408 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.199 47.498 29.426 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.884 48.134 28.457 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.467 45.733 27.666 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.605 45.217 28.895 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.884 43.963 29.936 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.611 44.774 30.855 1.00 0.00 H new ATOM 998 N LYS A 63 33.247 49.718 26.661 1.00 0.00 N ATOM 999 CA LYS A 63 33.559 51.106 26.389 1.00 0.00 C ATOM 1000 C LYS A 63 34.377 51.760 27.504 1.00 0.00 C ATOM 1001 O LYS A 63 33.998 51.709 28.672 1.00 0.00 O ATOM 1002 CB LYS A 63 32.232 51.829 26.173 1.00 0.00 C ATOM 1003 CG LYS A 63 32.331 53.347 26.048 1.00 0.00 C ATOM 1004 CD LYS A 63 30.943 53.956 25.869 1.00 0.00 C ATOM 1005 CE LYS A 63 31.016 55.480 25.894 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.675 56.084 25.955 1.00 0.00 N ATOM 0 H LYS A 63 32.259 49.511 26.515 1.00 0.00 H new ATOM 0 HA LYS A 63 34.189 51.171 25.502 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.765 51.436 25.270 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.568 51.592 27.004 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.805 53.762 26.937 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.962 53.608 25.199 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.513 53.623 24.924 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.282 53.605 26.661 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.601 55.803 26.755 1.00 0.00 H new ATOM 0 HE3 LYS A 63 31.536 55.835 25.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.761 57.120 25.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.126 55.795 25.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.189 55.764 26.817 1.00 0.00 H new ATOM 1020 N GLU A 64 35.480 52.403 27.130 1.00 0.00 N ATOM 1021 CA GLU A 64 36.425 53.091 27.986 1.00 0.00 C ATOM 1022 C GLU A 64 37.142 52.206 29.008 1.00 0.00 C ATOM 1023 O GLU A 64 37.649 52.697 30.015 1.00 0.00 O ATOM 1024 CB GLU A 64 35.835 54.383 28.542 1.00 0.00 C ATOM 1025 CG GLU A 64 35.489 55.397 27.456 1.00 0.00 C ATOM 1026 CD GLU A 64 34.841 56.687 27.966 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.503 56.810 29.162 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.627 57.591 27.129 1.00 0.00 O ATOM 0 H GLU A 64 35.751 52.457 26.148 1.00 0.00 H new ATOM 0 HA GLU A 64 37.254 53.390 27.345 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.936 54.149 29.113 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.546 54.831 29.236 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.400 55.654 26.915 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.815 54.926 26.740 1.00 0.00 H new ATOM 1035 N SER A 65 37.253 50.907 28.747 1.00 0.00 N ATOM 1036 CA SER A 65 38.188 50.031 29.424 1.00 0.00 C ATOM 1037 C SER A 65 39.634 50.369 29.054 1.00 0.00 C ATOM 1038 O SER A 65 39.887 50.810 27.935 1.00 0.00 O ATOM 1039 CB SER A 65 37.962 48.565 29.068 1.00 0.00 C ATOM 1040 OG SER A 65 36.634 48.162 29.321 1.00 0.00 O ATOM 0 H SER A 65 36.684 50.431 28.047 1.00 0.00 H new ATOM 0 HA SER A 65 38.017 50.184 30.489 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.195 48.407 28.015 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.647 47.942 29.643 1.00 0.00 H new ATOM 0 HG SER A 65 36.025 48.654 28.731 1.00 0.00 H new ATOM 1046 N THR A 66 40.584 50.097 29.944 1.00 0.00 N ATOM 1047 CA THR A 66 42.008 50.242 29.717 1.00 0.00 C ATOM 1048 C THR A 66 42.695 48.876 29.685 1.00 0.00 C ATOM 1049 O THR A 66 42.673 48.144 30.673 1.00 0.00 O ATOM 1050 CB THR A 66 42.657 51.156 30.753 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.999 52.402 30.787 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.121 51.453 30.439 1.00 0.00 C ATOM 0 H THR A 66 40.368 49.756 30.880 1.00 0.00 H new ATOM 0 HA THR A 66 42.137 50.714 28.743 1.00 0.00 H new ATOM 0 HB THR A 66 42.583 50.626 31.703 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.424 52.978 31.456 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.533 52.107 31.208 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.685 50.520 30.416 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.193 51.944 29.468 1.00 0.00 H new ATOM 1060 N LEU A 67 43.316 48.521 28.564 1.00 0.00 N ATOM 1061 CA LEU A 67 44.021 47.276 28.325 1.00 0.00 C ATOM 1062 C LEU A 67 45.533 47.496 28.393 1.00 0.00 C ATOM 1063 O LEU A 67 46.007 48.598 28.128 1.00 0.00 O ATOM 1064 CB LEU A 67 43.620 46.696 26.972 1.00 0.00 C ATOM 1065 CG LEU A 67 42.187 46.199 26.804 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.121 47.289 26.851 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.069 45.499 25.453 1.00 0.00 C ATOM 0 H LEU A 67 43.339 49.137 27.751 1.00 0.00 H new ATOM 0 HA LEU A 67 43.746 46.563 29.102 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.800 47.459 26.215 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.290 45.865 26.753 1.00 0.00 H new ATOM 0 HG LEU A 67 42.002 45.538 27.650 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.136 46.840 26.723 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.165 47.800 27.813 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.299 48.007 26.051 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.049 45.138 25.318 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.313 46.202 24.656 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.760 44.657 25.418 1.00 0.00 H new ATOM 1079 N HIS A 68 46.308 46.461 28.708 1.00 0.00 N ATOM 1080 CA HIS A 68 47.748 46.541 28.847 1.00 0.00 C ATOM 1081 C HIS A 68 48.459 45.871 27.670 1.00 0.00 C ATOM 1082 O HIS A 68 48.084 44.778 27.253 1.00 0.00 O ATOM 1083 CB HIS A 68 48.196 45.957 30.184 1.00 0.00 C ATOM 1084 CG HIS A 68 47.504 46.558 31.377 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.982 47.610 32.157 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.257 46.208 31.824 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.009 47.904 33.023 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.963 47.077 32.857 1.00 0.00 N ATOM 0 H HIS A 68 45.938 45.526 28.876 1.00 0.00 H new ATOM 0 HA HIS A 68 48.031 47.594 28.834 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.018 44.882 30.177 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.271 46.101 30.290 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.631 45.414 31.445 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.056 48.696 33.755 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.100 47.089 33.400 1.00 0.00 H new ATOM 1096 N LEU A 69 49.508 46.510 27.158 1.00 0.00 N ATOM 1097 CA LEU A 69 50.359 46.051 26.079 1.00 0.00 C ATOM 1098 C LEU A 69 51.756 45.733 26.614 1.00 0.00 C ATOM 1099 O LEU A 69 52.398 46.583 27.227 1.00 0.00 O ATOM 1100 CB LEU A 69 50.378 47.128 24.998 1.00 0.00 C ATOM 1101 CG LEU A 69 51.441 46.986 23.913 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.286 45.729 23.062 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.372 48.189 22.975 1.00 0.00 C ATOM 0 H LEU A 69 49.800 47.421 27.513 1.00 0.00 H new ATOM 0 HA LEU A 69 49.976 45.129 25.642 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.400 47.146 24.517 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.512 48.095 25.483 1.00 0.00 H new ATOM 0 HG LEU A 69 52.396 46.921 24.435 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.077 45.697 22.313 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.354 44.847 23.699 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.316 45.743 22.565 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.131 48.089 22.199 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.385 48.235 22.514 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.550 49.103 23.542 1.00 0.00 H new ATOM 1115 N VAL A 70 52.252 44.532 26.331 1.00 0.00 N ATOM 1116 CA VAL A 70 53.585 44.067 26.653 1.00 0.00 C ATOM 1117 C VAL A 70 54.353 43.798 25.357 1.00 0.00 C ATOM 1118 O VAL A 70 53.790 43.275 24.398 1.00 0.00 O ATOM 1119 CB VAL A 70 53.550 42.840 27.560 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.924 42.545 28.154 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.596 43.016 28.739 1.00 0.00 C ATOM 0 H VAL A 70 51.701 43.825 25.845 1.00 0.00 H new ATOM 0 HA VAL A 70 54.106 44.844 27.213 1.00 0.00 H new ATOM 0 HB VAL A 70 53.214 42.023 26.922 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.862 41.665 28.794 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.636 42.359 27.350 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.257 43.400 28.743 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.607 42.116 29.354 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.913 43.869 29.339 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.586 43.189 28.367 1.00 0.00 H new ATOM 1131 N LEU A 71 55.621 44.197 25.320 1.00 0.00 N ATOM 1132 CA LEU A 71 56.522 44.042 24.195 1.00 0.00 C ATOM 1133 C LEU A 71 57.319 42.740 24.290 1.00 0.00 C ATOM 1134 O LEU A 71 57.429 42.167 25.372 1.00 0.00 O ATOM 1135 CB LEU A 71 57.433 45.263 24.103 1.00 0.00 C ATOM 1136 CG LEU A 71 56.831 46.580 23.624 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.102 46.451 22.289 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.909 47.254 24.635 1.00 0.00 C ATOM 0 H LEU A 71 56.064 44.659 26.114 1.00 0.00 H new ATOM 0 HA LEU A 71 55.937 43.976 23.278 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.862 45.433 25.091 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.258 45.013 23.436 1.00 0.00 H new ATOM 0 HG LEU A 71 57.702 47.222 23.494 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.696 47.421 22.001 1.00 0.00 H new ATOM 0 HD12 LEU A 71 56.800 46.109 21.525 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.289 45.731 22.386 1.00 0.00 H new ATOM 0 HD21 LEU A 71 55.525 48.183 24.214 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.077 46.590 24.868 1.00 0.00 H new ATOM 0 HD23 LEU A 71 56.466 47.471 25.547 1.00 0.00 H new ATOM 1150 N ARG A 72 57.945 42.301 23.203 1.00 0.00 N ATOM 1151 CA ARG A 72 58.850 41.169 23.187 1.00 0.00 C ATOM 1152 C ARG A 72 60.335 41.531 23.235 1.00 0.00 C ATOM 1153 O ARG A 72 61.105 40.795 23.849 1.00 0.00 O ATOM 1154 CB ARG A 72 58.562 40.251 22.002 1.00 0.00 C ATOM 1155 CG ARG A 72 57.210 39.547 22.089 1.00 0.00 C ATOM 1156 CD ARG A 72 57.224 38.131 21.521 1.00 0.00 C ATOM 1157 NE ARG A 72 57.445 38.068 20.076 1.00 0.00 N ATOM 1158 CZ ARG A 72 57.409 36.953 19.333 1.00 0.00 C ATOM 1159 NH1 ARG A 72 57.362 35.749 19.917 1.00 0.00 N ATOM 1160 NH2 ARG A 72 57.417 37.000 17.994 1.00 0.00 N ATOM 0 H ARG A 72 57.831 42.737 22.288 1.00 0.00 H new ATOM 0 HA ARG A 72 58.649 40.640 24.119 1.00 0.00 H new ATOM 0 HB2 ARG A 72 58.599 40.836 21.083 1.00 0.00 H new ATOM 0 HB3 ARG A 72 59.349 39.500 21.935 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.896 39.509 23.132 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.467 40.138 21.554 1.00 0.00 H new ATOM 0 HD2 ARG A 72 58.004 37.558 22.022 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.275 37.649 21.754 1.00 0.00 H new ATOM 0 HE ARG A 72 57.643 38.945 19.594 1.00 0.00 H new ATOM 0 HH11 ARG A 72 57.353 35.676 20.934 1.00 0.00 H new ATOM 0 HH12 ARG A 72 57.335 34.905 19.345 1.00 0.00 H new ATOM 0 HH21 ARG A 72 57.451 37.900 17.515 1.00 0.00 H new ATOM 0 HH22 ARG A 72 57.389 36.136 17.453 1.00 0.00 H new ATOM 1174 N LEU A 73 60.754 42.620 22.598 1.00 0.00 N ATOM 1175 CA LEU A 73 62.133 42.884 22.239 1.00 0.00 C ATOM 1176 C LEU A 73 62.784 44.045 22.994 1.00 0.00 C ATOM 1177 O LEU A 73 63.708 44.666 22.474 1.00 0.00 O ATOM 1178 CB LEU A 73 62.247 43.029 20.724 1.00 0.00 C ATOM 1179 CG LEU A 73 61.673 41.891 19.885 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.876 42.206 18.406 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.333 40.546 20.175 1.00 0.00 C ATOM 0 H LEU A 73 60.118 43.364 22.311 1.00 0.00 H new ATOM 0 HA LEU A 73 62.714 42.020 22.563 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.749 43.953 20.431 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.301 43.141 20.471 1.00 0.00 H new ATOM 0 HG LEU A 73 60.617 41.812 20.142 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.468 41.396 17.802 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.365 43.136 18.159 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.941 42.311 18.199 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.882 39.777 19.548 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.400 40.610 19.960 1.00 0.00 H new ATOM 0 HD23 LEU A 73 62.189 40.289 21.224 1.00 0.00 H new ATOM 1193 N ARG A 74 62.326 44.365 24.202 1.00 0.00 N ATOM 1194 CA ARG A 74 62.832 45.424 25.052 1.00 0.00 C ATOM 1195 C ARG A 74 63.082 44.954 26.487 1.00 0.00 C ATOM 1196 O ARG A 74 62.652 43.876 26.889 1.00 0.00 O ATOM 1197 CB ARG A 74 61.879 46.615 25.071 1.00 0.00 C ATOM 1198 CG ARG A 74 61.390 47.096 23.708 1.00 0.00 C ATOM 1199 CD ARG A 74 60.605 48.398 23.840 1.00 0.00 C ATOM 1200 NE ARG A 74 59.905 48.727 22.598 1.00 0.00 N ATOM 1201 CZ ARG A 74 59.016 49.712 22.409 1.00 0.00 C ATOM 1202 NH1 ARG A 74 58.735 50.606 23.368 1.00 0.00 N ATOM 1203 NH2 ARG A 74 58.368 49.819 21.241 1.00 0.00 N ATOM 0 H ARG A 74 61.550 43.861 24.631 1.00 0.00 H new ATOM 0 HA ARG A 74 63.787 45.727 24.624 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.011 46.352 25.675 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.376 47.446 25.572 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.241 47.246 23.044 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.761 46.332 23.252 1.00 0.00 H new ATOM 0 HD2 ARG A 74 59.885 48.309 24.653 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.284 49.209 24.103 1.00 0.00 H new ATOM 0 HE ARG A 74 60.116 48.144 21.788 1.00 0.00 H new ATOM 0 HH11 ARG A 74 59.203 50.548 24.272 1.00 0.00 H new ATOM 0 HH12 ARG A 74 58.053 51.344 23.193 1.00 0.00 H new ATOM 0 HH21 ARG A 74 58.551 49.150 20.493 1.00 0.00 H new ATOM 0 HH22 ARG A 74 57.692 50.570 21.100 1.00 0.00 H new ATOM 1217 N GLY A 75 63.734 45.796 27.285 1.00 0.00 N ATOM 1218 CA GLY A 75 63.824 45.656 28.724 1.00 0.00 C ATOM 1219 C GLY A 75 64.829 44.599 29.185 1.00 0.00 C ATOM 1220 O GLY A 75 65.992 44.912 29.428 1.00 0.00 O ATOM 0 H GLY A 75 64.226 46.616 26.931 1.00 0.00 H new ATOM 0 HA2 GLY A 75 64.100 46.618 29.156 1.00 0.00 H new ATOM 0 HA3 GLY A 75 62.839 45.402 29.116 1.00 0.00 H new ATOM 1224 N GLY A 76 64.369 43.363 29.362 1.00 0.00 N ATOM 1225 CA GLY A 76 65.184 42.263 29.838 1.00 0.00 C ATOM 1226 C GLY A 76 64.490 40.899 29.830 1.00 0.00 C ATOM 1227 O GLY A 76 65.100 39.963 29.269 1.00 0.00 O ATOM 1228 OXT GLY A 76 63.388 40.768 30.406 1.00 0.00 O ATOM 0 H GLY A 76 63.402 43.100 29.174 1.00 0.00 H new ATOM 0 HA2 GLY A 76 66.082 42.202 29.223 1.00 0.00 H new ATOM 0 HA3 GLY A 76 65.509 42.484 30.855 1.00 0.00 H new TER 1232 GLY A 76