USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot -63:sc= 1.14 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 1 MET CE :methyl 153:sc= 0 (180deg=-0.0713) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.26 (180deg=1.06) USER MOD Single : A 2 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.012) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -28:sc= 0.26 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00736 USER MOD Single : A 25 ASN : amide:sc= 0.258 X(o=0.26,f=-0.098) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0.72 (180deg=0.709) USER MOD Single : A 31 GLN : amide:sc= -0.974 K(o=-0.97,f=-0.43) USER MOD Single : A 33 LYS NZ :NH3+ -152:sc= 1.17 (180deg=0.0662!) USER MOD Single : A 40 GLN : amide:sc= -0.0187 K(o=-0.019,f=-1.4!) USER MOD Single : A 41 GLN : amide:sc= 1 K(o=1,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0158 K(o=-0.016,f=-1.1) USER MOD Single : A 55 THR OG1 : rot -46:sc= 1.07 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -15:sc= -0.483 USER MOD Single : A 60 ASN : amide:sc= -0.0771 X(o=-0.077,f=-0.077) USER MOD Single : A 62 GLN : amide:sc= 0.992 K(o=0.99,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= 1.01 (180deg=0.276) USER MOD Single : A 65 SER OG : rot 91:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00509 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.129 31.501 14.959 1.00 0.00 N ATOM 2 CA MET A 1 13.959 31.284 16.402 1.00 0.00 C ATOM 3 C MET A 1 15.305 31.608 17.043 1.00 0.00 C ATOM 4 O MET A 1 16.294 31.350 16.352 1.00 0.00 O ATOM 5 CB MET A 1 13.701 29.791 16.563 1.00 0.00 C ATOM 6 CG MET A 1 13.049 29.452 17.908 1.00 0.00 C ATOM 7 SD MET A 1 12.877 27.698 18.340 1.00 0.00 S ATOM 8 CE MET A 1 14.597 27.142 18.447 1.00 0.00 C ATOM 0 H1 MET A 1 13.197 31.510 14.497 1.00 0.00 H new ATOM 0 H2 MET A 1 14.604 32.412 14.799 1.00 0.00 H new ATOM 0 H3 MET A 1 14.706 30.734 14.558 1.00 0.00 H new ATOM 0 HA MET A 1 13.160 31.881 16.842 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.057 29.447 15.753 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.643 29.250 16.473 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.629 29.936 18.694 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.056 29.900 17.922 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.664 26.297 19.133 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.943 26.836 17.460 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.221 27.957 18.813 1.00 0.00 H new ATOM 20 N GLN A 2 15.417 32.159 18.258 1.00 0.00 N ATOM 21 CA GLN A 2 16.681 32.477 18.887 1.00 0.00 C ATOM 22 C GLN A 2 17.028 31.469 19.981 1.00 0.00 C ATOM 23 O GLN A 2 16.160 31.070 20.746 1.00 0.00 O ATOM 24 CB GLN A 2 16.533 33.786 19.658 1.00 0.00 C ATOM 25 CG GLN A 2 16.428 34.951 18.663 1.00 0.00 C ATOM 26 CD GLN A 2 15.695 36.204 19.118 1.00 0.00 C ATOM 27 OE1 GLN A 2 15.814 37.260 18.498 1.00 0.00 O ATOM 28 NE2 GLN A 2 14.968 36.189 20.223 1.00 0.00 N ATOM 0 H GLN A 2 14.609 32.396 18.833 1.00 0.00 H new ATOM 0 HA GLN A 2 17.429 32.499 18.095 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.646 33.751 20.290 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.388 33.932 20.318 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.439 35.239 18.376 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.935 34.581 17.764 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.858 35.322 20.750 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.517 37.044 20.548 1.00 0.00 H new ATOM 37 N ILE A 3 18.251 30.954 19.934 1.00 0.00 N ATOM 38 CA ILE A 3 18.923 30.224 20.992 1.00 0.00 C ATOM 39 C ILE A 3 20.196 30.966 21.399 1.00 0.00 C ATOM 40 O ILE A 3 20.920 31.279 20.458 1.00 0.00 O ATOM 41 CB ILE A 3 19.162 28.724 20.825 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.188 28.332 19.758 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.863 27.919 20.722 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.709 26.895 19.886 1.00 0.00 C ATOM 0 H ILE A 3 18.833 31.043 19.101 1.00 0.00 H new ATOM 0 HA ILE A 3 18.186 30.214 21.795 1.00 0.00 H new ATOM 0 HB ILE A 3 19.640 28.438 21.762 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.738 28.457 18.773 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.032 29.019 19.812 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.099 26.861 20.605 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.274 28.061 21.628 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.291 28.261 19.860 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.431 26.698 19.093 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.191 26.768 20.855 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.876 26.197 19.801 1.00 0.00 H new ATOM 56 N PHE A 4 20.448 31.395 22.632 1.00 0.00 N ATOM 57 CA PHE A 4 21.630 32.075 23.136 1.00 0.00 C ATOM 58 C PHE A 4 22.769 31.052 23.245 1.00 0.00 C ATOM 59 O PHE A 4 22.516 29.897 23.577 1.00 0.00 O ATOM 60 CB PHE A 4 21.239 32.528 24.546 1.00 0.00 C ATOM 61 CG PHE A 4 20.522 33.853 24.419 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.207 35.071 24.287 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.146 33.907 24.669 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.539 36.283 24.508 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.451 35.129 24.728 1.00 0.00 C ATOM 66 CZ PHE A 4 19.153 36.340 24.722 1.00 0.00 C ATOM 0 H PHE A 4 19.760 31.260 23.373 1.00 0.00 H new ATOM 0 HA PHE A 4 21.951 32.901 22.501 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.595 31.788 25.021 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.124 32.630 25.174 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.252 35.074 24.014 1.00 0.00 H new ATOM 0 HD2 PHE A 4 18.603 32.986 24.821 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.108 37.201 24.514 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.372 35.133 24.778 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.648 37.282 24.876 1.00 0.00 H new ATOM 76 N VAL A 5 23.945 31.647 23.106 1.00 0.00 N ATOM 77 CA VAL A 5 25.159 30.982 23.564 1.00 0.00 C ATOM 78 C VAL A 5 25.875 31.963 24.502 1.00 0.00 C ATOM 79 O VAL A 5 25.696 33.172 24.360 1.00 0.00 O ATOM 80 CB VAL A 5 26.027 30.467 22.423 1.00 0.00 C ATOM 81 CG1 VAL A 5 26.810 31.528 21.650 1.00 0.00 C ATOM 82 CG2 VAL A 5 26.946 29.325 22.859 1.00 0.00 C ATOM 0 H VAL A 5 24.085 32.568 22.690 1.00 0.00 H new ATOM 0 HA VAL A 5 24.914 30.070 24.108 1.00 0.00 H new ATOM 0 HB VAL A 5 25.296 30.083 21.712 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.392 31.049 20.863 1.00 0.00 H new ATOM 0 HG12 VAL A 5 26.115 32.241 21.205 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.482 32.052 22.330 1.00 0.00 H new ATOM 0 HG21 VAL A 5 27.543 28.994 22.009 1.00 0.00 H new ATOM 0 HG22 VAL A 5 27.606 29.673 23.653 1.00 0.00 H new ATOM 0 HG23 VAL A 5 26.344 28.493 23.225 1.00 0.00 H new ATOM 92 N LYS A 6 26.694 31.460 25.418 1.00 0.00 N ATOM 93 CA LYS A 6 27.638 32.150 26.270 1.00 0.00 C ATOM 94 C LYS A 6 29.085 31.679 26.080 1.00 0.00 C ATOM 95 O LYS A 6 29.260 30.540 25.649 1.00 0.00 O ATOM 96 CB LYS A 6 27.134 32.211 27.709 1.00 0.00 C ATOM 97 CG LYS A 6 27.527 33.407 28.572 1.00 0.00 C ATOM 98 CD LYS A 6 26.921 33.359 29.983 1.00 0.00 C ATOM 99 CE LYS A 6 27.095 34.631 30.801 1.00 0.00 C ATOM 100 NZ LYS A 6 26.206 34.657 31.971 1.00 0.00 N ATOM 0 H LYS A 6 26.710 30.456 25.595 1.00 0.00 H new ATOM 0 HA LYS A 6 27.693 33.190 25.948 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.045 32.167 27.680 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.476 31.310 28.218 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.613 33.449 28.651 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.208 34.324 28.077 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.856 33.143 29.898 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.372 32.530 30.528 1.00 0.00 H new ATOM 0 HE2 LYS A 6 28.131 34.712 31.130 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.892 35.498 30.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.356 35.539 32.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.216 34.606 31.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.416 33.844 32.585 1.00 0.00 H new ATOM 114 N THR A 7 30.059 32.535 26.348 1.00 0.00 N ATOM 115 CA THR A 7 31.487 32.450 26.098 1.00 0.00 C ATOM 116 C THR A 7 32.152 32.215 27.459 1.00 0.00 C ATOM 117 O THR A 7 31.574 32.549 28.493 1.00 0.00 O ATOM 118 CB THR A 7 32.046 33.605 25.272 1.00 0.00 C ATOM 119 OG1 THR A 7 31.620 34.828 25.823 1.00 0.00 O ATOM 120 CG2 THR A 7 31.486 33.604 23.849 1.00 0.00 C ATOM 0 H THR A 7 29.835 33.419 26.805 1.00 0.00 H new ATOM 0 HA THR A 7 31.719 31.612 25.441 1.00 0.00 H new ATOM 0 HB THR A 7 33.130 33.488 25.270 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.643 34.888 25.770 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.907 34.441 23.292 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.750 32.669 23.355 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.401 33.701 23.885 1.00 0.00 H new ATOM 128 N LEU A 8 33.378 31.684 27.451 1.00 0.00 N ATOM 129 CA LEU A 8 34.170 31.368 28.626 1.00 0.00 C ATOM 130 C LEU A 8 34.520 32.616 29.428 1.00 0.00 C ATOM 131 O LEU A 8 34.658 32.556 30.652 1.00 0.00 O ATOM 132 CB LEU A 8 35.430 30.621 28.187 1.00 0.00 C ATOM 133 CG LEU A 8 35.241 29.276 27.472 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.488 28.869 26.689 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.822 28.248 28.521 1.00 0.00 C ATOM 0 H LEU A 8 33.860 31.455 26.582 1.00 0.00 H new ATOM 0 HA LEU A 8 33.581 30.733 29.287 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.997 31.277 27.526 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.045 30.449 29.071 1.00 0.00 H new ATOM 0 HG LEU A 8 34.457 29.350 26.718 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.313 27.912 26.198 1.00 0.00 H new ATOM 0 HD12 LEU A 8 36.710 29.627 25.938 1.00 0.00 H new ATOM 0 HD13 LEU A 8 37.333 28.777 27.372 1.00 0.00 H new ATOM 0 HD21 LEU A 8 34.679 27.279 28.044 1.00 0.00 H new ATOM 0 HD22 LEU A 8 35.599 28.167 29.282 1.00 0.00 H new ATOM 0 HD23 LEU A 8 33.889 28.564 28.987 1.00 0.00 H new ATOM 147 N THR A 9 34.453 33.802 28.812 1.00 0.00 N ATOM 148 CA THR A 9 34.677 35.078 29.451 1.00 0.00 C ATOM 149 C THR A 9 33.471 35.709 30.152 1.00 0.00 C ATOM 150 O THR A 9 33.630 36.702 30.861 1.00 0.00 O ATOM 151 CB THR A 9 35.087 35.983 28.286 1.00 0.00 C ATOM 152 OG1 THR A 9 34.061 36.033 27.320 1.00 0.00 O ATOM 153 CG2 THR A 9 36.301 35.549 27.464 1.00 0.00 C ATOM 0 H THR A 9 34.233 33.889 27.820 1.00 0.00 H new ATOM 0 HA THR A 9 35.404 34.949 30.253 1.00 0.00 H new ATOM 0 HB THR A 9 35.311 36.918 28.800 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.335 36.616 26.581 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.483 36.276 26.672 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.176 35.490 28.111 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.110 34.571 27.022 1.00 0.00 H new ATOM 161 N GLY A 10 32.282 35.193 29.843 1.00 0.00 N ATOM 162 CA GLY A 10 30.974 35.532 30.360 1.00 0.00 C ATOM 163 C GLY A 10 30.111 36.362 29.393 1.00 0.00 C ATOM 164 O GLY A 10 29.094 36.814 29.903 1.00 0.00 O ATOM 0 H GLY A 10 32.214 34.448 29.149 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.443 34.612 30.606 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.096 36.088 31.290 1.00 0.00 H new ATOM 168 N LYS A 11 30.507 36.631 28.153 1.00 0.00 N ATOM 169 CA LYS A 11 29.607 37.360 27.286 1.00 0.00 C ATOM 170 C LYS A 11 28.585 36.408 26.656 1.00 0.00 C ATOM 171 O LYS A 11 28.966 35.366 26.134 1.00 0.00 O ATOM 172 CB LYS A 11 30.443 37.958 26.152 1.00 0.00 C ATOM 173 CG LYS A 11 29.814 39.154 25.427 1.00 0.00 C ATOM 174 CD LYS A 11 30.685 39.669 24.288 1.00 0.00 C ATOM 175 CE LYS A 11 29.928 40.740 23.515 1.00 0.00 C ATOM 176 NZ LYS A 11 30.822 41.333 22.512 1.00 0.00 N ATOM 0 H LYS A 11 31.404 36.367 27.745 1.00 0.00 H new ATOM 0 HA LYS A 11 29.085 38.125 27.861 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.406 38.267 26.558 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.643 37.176 25.420 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.840 38.865 25.033 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.643 39.959 26.142 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.614 40.079 24.683 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.956 38.849 23.623 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.054 40.306 23.029 1.00 0.00 H new ATOM 0 HE3 LYS A 11 29.565 41.509 24.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 30.310 42.066 21.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.643 41.760 22.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.147 40.594 21.857 1.00 0.00 H new ATOM 190 N THR A 12 27.303 36.744 26.667 1.00 0.00 N ATOM 191 CA THR A 12 26.095 36.152 26.124 1.00 0.00 C ATOM 192 C THR A 12 25.959 36.755 24.726 1.00 0.00 C ATOM 193 O THR A 12 25.956 37.973 24.544 1.00 0.00 O ATOM 194 CB THR A 12 24.840 36.591 26.882 1.00 0.00 C ATOM 195 OG1 THR A 12 24.862 36.102 28.204 1.00 0.00 O ATOM 196 CG2 THR A 12 23.570 36.170 26.129 1.00 0.00 C ATOM 0 H THR A 12 27.048 37.604 27.152 1.00 0.00 H new ATOM 0 HA THR A 12 26.171 35.066 26.169 1.00 0.00 H new ATOM 0 HB THR A 12 24.830 37.679 26.939 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.053 36.394 28.674 1.00 0.00 H new ATOM 0 HG21 THR A 12 22.692 36.493 26.688 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.562 36.632 25.142 1.00 0.00 H new ATOM 0 HG23 THR A 12 23.553 35.085 26.022 1.00 0.00 H new ATOM 204 N ILE A 13 25.868 35.894 23.715 1.00 0.00 N ATOM 205 CA ILE A 13 25.744 36.115 22.287 1.00 0.00 C ATOM 206 C ILE A 13 24.358 35.612 21.852 1.00 0.00 C ATOM 207 O ILE A 13 23.961 34.562 22.358 1.00 0.00 O ATOM 208 CB ILE A 13 26.861 35.363 21.575 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.265 35.611 22.137 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.828 35.570 20.060 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.991 36.943 21.955 1.00 0.00 C ATOM 0 H ILE A 13 25.882 34.893 23.912 1.00 0.00 H new ATOM 0 HA ILE A 13 25.834 37.171 22.033 1.00 0.00 H new ATOM 0 HB ILE A 13 26.647 34.314 21.782 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.210 35.428 23.210 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.912 34.841 21.716 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.644 35.014 19.599 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.877 35.214 19.665 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.940 36.631 19.835 1.00 0.00 H new ATOM 0 HD11 ILE A 13 29.969 36.893 22.434 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.118 37.146 20.892 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.405 37.742 22.409 1.00 0.00 H new ATOM 223 N THR A 14 23.614 36.276 20.972 1.00 0.00 N ATOM 224 CA THR A 14 22.396 35.763 20.384 1.00 0.00 C ATOM 225 C THR A 14 22.639 35.137 19.008 1.00 0.00 C ATOM 226 O THR A 14 23.387 35.724 18.233 1.00 0.00 O ATOM 227 CB THR A 14 21.385 36.895 20.187 1.00 0.00 C ATOM 228 OG1 THR A 14 20.931 37.448 21.405 1.00 0.00 O ATOM 229 CG2 THR A 14 20.076 36.674 19.424 1.00 0.00 C ATOM 0 H THR A 14 23.855 37.211 20.644 1.00 0.00 H new ATOM 0 HA THR A 14 22.020 35.005 21.071 1.00 0.00 H new ATOM 0 HB THR A 14 22.034 37.514 19.567 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.980 36.770 22.111 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.507 37.603 19.401 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.298 36.359 18.404 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.490 35.902 19.923 1.00 0.00 H new ATOM 237 N LEU A 15 22.146 33.930 18.765 1.00 0.00 N ATOM 238 CA LEU A 15 22.150 33.210 17.505 1.00 0.00 C ATOM 239 C LEU A 15 20.772 33.134 16.858 1.00 0.00 C ATOM 240 O LEU A 15 19.853 32.643 17.522 1.00 0.00 O ATOM 241 CB LEU A 15 22.677 31.783 17.674 1.00 0.00 C ATOM 242 CG LEU A 15 24.056 31.681 18.327 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.638 30.270 18.323 1.00 0.00 C ATOM 244 CD2 LEU A 15 25.157 32.534 17.701 1.00 0.00 C ATOM 0 H LEU A 15 21.698 33.389 19.505 1.00 0.00 H new ATOM 0 HA LEU A 15 22.811 33.781 16.854 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.964 31.216 18.273 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.719 31.308 16.694 1.00 0.00 H new ATOM 0 HG LEU A 15 23.817 32.038 19.329 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.617 30.279 18.803 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.973 29.600 18.868 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.741 29.922 17.295 1.00 0.00 H new ATOM 0 HD21 LEU A 15 26.089 32.381 18.245 1.00 0.00 H new ATOM 0 HD22 LEU A 15 25.293 32.245 16.659 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.875 33.586 17.751 1.00 0.00 H new ATOM 256 N GLU A 16 20.603 33.478 15.581 1.00 0.00 N ATOM 257 CA GLU A 16 19.400 33.257 14.802 1.00 0.00 C ATOM 258 C GLU A 16 19.388 31.807 14.323 1.00 0.00 C ATOM 259 O GLU A 16 20.225 31.335 13.551 1.00 0.00 O ATOM 260 CB GLU A 16 19.284 34.273 13.658 1.00 0.00 C ATOM 261 CG GLU A 16 20.151 34.227 12.404 1.00 0.00 C ATOM 262 CD GLU A 16 21.619 34.516 12.687 1.00 0.00 C ATOM 263 OE1 GLU A 16 22.035 34.794 13.834 1.00 0.00 O ATOM 264 OE2 GLU A 16 22.424 34.419 11.738 1.00 0.00 O ATOM 0 H GLU A 16 21.338 33.938 15.044 1.00 0.00 H new ATOM 0 HA GLU A 16 18.517 33.417 15.420 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.249 34.236 13.318 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.439 35.256 14.103 1.00 0.00 H new ATOM 0 HG2 GLU A 16 20.062 33.243 11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.776 34.953 11.682 1.00 0.00 H new ATOM 271 N VAL A 17 18.396 31.014 14.713 1.00 0.00 N ATOM 272 CA VAL A 17 18.319 29.690 14.151 1.00 0.00 C ATOM 273 C VAL A 17 16.966 29.315 13.551 1.00 0.00 C ATOM 274 O VAL A 17 15.932 29.839 13.931 1.00 0.00 O ATOM 275 CB VAL A 17 18.727 28.718 15.261 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.151 28.800 15.794 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.913 28.345 16.506 1.00 0.00 C ATOM 0 H VAL A 17 17.669 31.257 15.386 1.00 0.00 H new ATOM 0 HA VAL A 17 18.991 29.644 13.294 1.00 0.00 H new ATOM 0 HB VAL A 17 18.492 27.958 14.516 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.291 28.052 16.574 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.855 28.614 14.982 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.328 29.793 16.208 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.474 27.628 17.106 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.721 29.241 17.097 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.965 27.901 16.201 1.00 0.00 H new ATOM 287 N GLU A 18 16.877 28.365 12.619 1.00 0.00 N ATOM 288 CA GLU A 18 15.626 27.715 12.276 1.00 0.00 C ATOM 289 C GLU A 18 15.253 26.730 13.392 1.00 0.00 C ATOM 290 O GLU A 18 16.198 26.236 13.999 1.00 0.00 O ATOM 291 CB GLU A 18 15.955 26.960 10.988 1.00 0.00 C ATOM 292 CG GLU A 18 16.525 27.846 9.879 1.00 0.00 C ATOM 293 CD GLU A 18 15.623 28.970 9.420 1.00 0.00 C ATOM 294 OE1 GLU A 18 14.375 28.900 9.512 1.00 0.00 O ATOM 295 OE2 GLU A 18 16.205 30.036 9.113 1.00 0.00 O ATOM 0 H GLU A 18 17.677 28.029 12.083 1.00 0.00 H new ATOM 0 HA GLU A 18 14.790 28.404 12.155 1.00 0.00 H new ATOM 0 HB2 GLU A 18 16.672 26.171 11.214 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.051 26.474 10.622 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.464 28.276 10.227 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.761 27.218 9.020 1.00 0.00 H new ATOM 302 N PRO A 19 14.004 26.358 13.648 1.00 0.00 N ATOM 303 CA PRO A 19 13.597 25.429 14.681 1.00 0.00 C ATOM 304 C PRO A 19 13.850 23.948 14.345 1.00 0.00 C ATOM 305 O PRO A 19 13.417 23.110 15.120 1.00 0.00 O ATOM 306 CB PRO A 19 12.149 25.865 14.896 1.00 0.00 C ATOM 307 CG PRO A 19 11.651 26.210 13.498 1.00 0.00 C ATOM 308 CD PRO A 19 12.876 26.920 12.929 1.00 0.00 C ATOM 0 HA PRO A 19 14.181 25.469 15.600 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.556 25.068 15.345 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.087 26.724 15.564 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.383 25.323 12.924 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.772 26.854 13.519 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.968 26.750 11.856 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.811 27.998 13.077 1.00 0.00 H new ATOM 316 N SER A 20 14.688 23.753 13.332 1.00 0.00 N ATOM 317 CA SER A 20 15.269 22.525 12.852 1.00 0.00 C ATOM 318 C SER A 20 16.783 22.499 12.604 1.00 0.00 C ATOM 319 O SER A 20 17.211 21.518 12.011 1.00 0.00 O ATOM 320 CB SER A 20 14.482 22.250 11.566 1.00 0.00 C ATOM 321 OG SER A 20 14.327 23.350 10.708 1.00 0.00 O ATOM 0 H SER A 20 15.005 24.545 12.773 1.00 0.00 H new ATOM 0 HA SER A 20 15.188 21.763 13.627 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.982 21.451 11.018 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.493 21.880 11.837 1.00 0.00 H new ATOM 0 HG SER A 20 13.816 23.079 9.917 1.00 0.00 H new ATOM 327 N ASP A 21 17.463 23.596 12.912 1.00 0.00 N ATOM 328 CA ASP A 21 18.899 23.746 12.754 1.00 0.00 C ATOM 329 C ASP A 21 19.579 22.676 13.601 1.00 0.00 C ATOM 330 O ASP A 21 19.202 22.326 14.724 1.00 0.00 O ATOM 331 CB ASP A 21 19.343 25.166 13.122 1.00 0.00 C ATOM 332 CG ASP A 21 19.678 25.951 11.862 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.097 25.382 10.830 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.317 27.152 11.866 1.00 0.00 O ATOM 0 H ASP A 21 17.014 24.430 13.290 1.00 0.00 H new ATOM 0 HA ASP A 21 19.190 23.606 11.713 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.551 25.671 13.675 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.213 25.125 13.777 1.00 0.00 H new ATOM 339 N THR A 22 20.617 22.055 13.053 1.00 0.00 N ATOM 340 CA THR A 22 21.326 20.930 13.633 1.00 0.00 C ATOM 341 C THR A 22 22.633 21.460 14.228 1.00 0.00 C ATOM 342 O THR A 22 23.041 22.611 14.196 1.00 0.00 O ATOM 343 CB THR A 22 21.509 20.028 12.411 1.00 0.00 C ATOM 344 OG1 THR A 22 22.376 20.597 11.446 1.00 0.00 O ATOM 345 CG2 THR A 22 20.168 19.648 11.793 1.00 0.00 C ATOM 0 H THR A 22 21.001 22.338 12.152 1.00 0.00 H new ATOM 0 HA THR A 22 20.838 20.395 14.448 1.00 0.00 H new ATOM 0 HB THR A 22 21.986 19.114 12.765 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.464 19.986 10.685 1.00 0.00 H new ATOM 0 HG21 THR A 22 20.335 19.007 10.927 1.00 0.00 H new ATOM 0 HG22 THR A 22 19.566 19.115 12.529 1.00 0.00 H new ATOM 0 HG23 THR A 22 19.643 20.550 11.480 1.00 0.00 H new ATOM 353 N ILE A 23 23.358 20.633 14.986 1.00 0.00 N ATOM 354 CA ILE A 23 24.538 21.047 15.704 1.00 0.00 C ATOM 355 C ILE A 23 25.729 21.466 14.832 1.00 0.00 C ATOM 356 O ILE A 23 26.344 22.447 15.251 1.00 0.00 O ATOM 357 CB ILE A 23 24.993 20.001 16.722 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.894 19.230 17.456 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.054 20.451 17.722 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.728 20.072 17.971 1.00 0.00 C ATOM 0 H ILE A 23 23.128 19.647 15.111 1.00 0.00 H new ATOM 0 HA ILE A 23 24.208 21.948 16.221 1.00 0.00 H new ATOM 0 HB ILE A 23 25.465 19.302 16.032 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.499 18.468 16.784 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.343 18.709 18.301 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.296 19.626 18.392 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.952 20.759 17.186 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.673 21.290 18.304 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.008 19.427 18.474 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.100 20.818 18.674 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.243 20.573 17.133 1.00 0.00 H new ATOM 372 N GLU A 24 25.929 20.919 13.634 1.00 0.00 N ATOM 373 CA GLU A 24 26.983 21.344 12.736 1.00 0.00 C ATOM 374 C GLU A 24 26.772 22.779 12.259 1.00 0.00 C ATOM 375 O GLU A 24 27.704 23.540 12.012 1.00 0.00 O ATOM 376 CB GLU A 24 26.915 20.521 11.441 1.00 0.00 C ATOM 377 CG GLU A 24 28.072 20.789 10.482 1.00 0.00 C ATOM 378 CD GLU A 24 28.293 19.696 9.440 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.345 19.311 8.716 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.404 19.146 9.334 1.00 0.00 O ATOM 0 H GLU A 24 25.355 20.162 13.263 1.00 0.00 H new ATOM 0 HA GLU A 24 27.917 21.230 13.286 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.903 19.461 11.695 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.976 20.737 10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.891 21.733 9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.987 20.912 11.061 1.00 0.00 H new ATOM 387 N ASN A 25 25.520 23.223 12.242 1.00 0.00 N ATOM 388 CA ASN A 25 25.061 24.560 11.903 1.00 0.00 C ATOM 389 C ASN A 25 25.153 25.529 13.079 1.00 0.00 C ATOM 390 O ASN A 25 25.415 26.709 12.847 1.00 0.00 O ATOM 391 CB ASN A 25 23.616 24.436 11.416 1.00 0.00 C ATOM 392 CG ASN A 25 23.562 24.812 9.938 1.00 0.00 C ATOM 393 OD1 ASN A 25 24.326 24.311 9.122 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.624 25.635 9.485 1.00 0.00 N ATOM 0 H ASN A 25 24.742 22.609 12.484 1.00 0.00 H new ATOM 0 HA ASN A 25 25.705 24.974 11.127 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.255 23.418 11.560 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.965 25.090 11.996 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.557 25.832 8.486 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.970 26.071 10.136 1.00 0.00 H new ATOM 401 N VAL A 26 25.068 25.123 14.349 1.00 0.00 N ATOM 402 CA VAL A 26 25.185 26.057 15.456 1.00 0.00 C ATOM 403 C VAL A 26 26.663 26.313 15.710 1.00 0.00 C ATOM 404 O VAL A 26 27.026 27.475 15.906 1.00 0.00 O ATOM 405 CB VAL A 26 24.507 25.441 16.679 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.684 26.174 18.006 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.997 25.351 16.462 1.00 0.00 C ATOM 0 H VAL A 26 24.919 24.154 14.629 1.00 0.00 H new ATOM 0 HA VAL A 26 24.700 27.008 15.233 1.00 0.00 H new ATOM 0 HB VAL A 26 25.008 24.477 16.764 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.155 25.635 18.792 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.744 26.228 18.253 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.279 27.182 17.921 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.529 24.910 17.342 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.593 26.350 16.298 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.791 24.729 15.591 1.00 0.00 H new ATOM 417 N LYS A 27 27.567 25.369 15.433 1.00 0.00 N ATOM 418 CA LYS A 27 28.986 25.550 15.228 1.00 0.00 C ATOM 419 C LYS A 27 29.369 26.626 14.208 1.00 0.00 C ATOM 420 O LYS A 27 30.232 27.474 14.427 1.00 0.00 O ATOM 421 CB LYS A 27 29.582 24.171 14.930 1.00 0.00 C ATOM 422 CG LYS A 27 29.729 23.281 16.161 1.00 0.00 C ATOM 423 CD LYS A 27 30.476 22.003 15.794 1.00 0.00 C ATOM 424 CE LYS A 27 30.843 21.090 16.961 1.00 0.00 C ATOM 425 NZ LYS A 27 31.409 19.799 16.526 1.00 0.00 N ATOM 0 H LYS A 27 27.294 24.390 15.342 1.00 0.00 H new ATOM 0 HA LYS A 27 29.421 25.960 16.140 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.951 23.664 14.200 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.561 24.301 14.469 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.268 23.815 16.944 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.746 23.035 16.562 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.865 21.436 15.092 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.392 22.277 15.270 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.563 21.599 17.601 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.954 20.906 17.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.639 19.222 17.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.714 19.296 15.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.273 19.968 15.973 1.00 0.00 H new ATOM 439 N ALA A 28 28.736 26.550 13.042 1.00 0.00 N ATOM 440 CA ALA A 28 28.942 27.434 11.906 1.00 0.00 C ATOM 441 C ALA A 28 28.402 28.822 12.264 1.00 0.00 C ATOM 442 O ALA A 28 28.998 29.846 11.932 1.00 0.00 O ATOM 443 CB ALA A 28 28.324 26.873 10.632 1.00 0.00 C ATOM 0 H ALA A 28 28.032 25.835 12.857 1.00 0.00 H new ATOM 0 HA ALA A 28 30.008 27.517 11.695 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.500 27.564 9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.778 25.909 10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.251 26.744 10.774 1.00 0.00 H new ATOM 449 N LYS A 29 27.208 28.879 12.836 1.00 0.00 N ATOM 450 CA LYS A 29 26.700 30.140 13.348 1.00 0.00 C ATOM 451 C LYS A 29 27.659 30.867 14.297 1.00 0.00 C ATOM 452 O LYS A 29 27.970 32.047 14.139 1.00 0.00 O ATOM 453 CB LYS A 29 25.271 30.076 13.897 1.00 0.00 C ATOM 454 CG LYS A 29 24.291 29.904 12.733 1.00 0.00 C ATOM 455 CD LYS A 29 22.906 29.432 13.202 1.00 0.00 C ATOM 456 CE LYS A 29 21.894 29.072 12.119 1.00 0.00 C ATOM 457 NZ LYS A 29 21.403 30.146 11.237 1.00 0.00 N ATOM 0 H LYS A 29 26.584 28.081 12.955 1.00 0.00 H new ATOM 0 HA LYS A 29 26.639 30.762 12.455 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.174 29.245 14.595 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.040 30.986 14.451 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.189 30.851 12.203 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.697 29.184 12.023 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.044 28.559 13.841 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.473 30.216 13.823 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.341 28.303 11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.030 28.622 12.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.777 29.741 10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.875 30.843 11.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 22.210 30.613 10.776 1.00 0.00 H new ATOM 471 N ILE A 30 28.136 30.102 15.271 1.00 0.00 N ATOM 472 CA ILE A 30 29.183 30.510 16.188 1.00 0.00 C ATOM 473 C ILE A 30 30.470 30.992 15.524 1.00 0.00 C ATOM 474 O ILE A 30 31.070 32.002 15.864 1.00 0.00 O ATOM 475 CB ILE A 30 29.291 29.487 17.323 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.025 29.529 18.184 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.538 29.837 18.134 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.030 28.411 19.221 1.00 0.00 C ATOM 0 H ILE A 30 27.794 29.157 15.446 1.00 0.00 H new ATOM 0 HA ILE A 30 28.900 31.446 16.670 1.00 0.00 H new ATOM 0 HB ILE A 30 29.380 28.472 16.936 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.954 30.494 18.685 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.145 29.435 17.548 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.649 29.128 18.955 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.416 29.788 17.490 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.439 30.845 18.536 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.120 28.465 19.818 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.076 27.446 18.716 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.898 28.522 19.871 1.00 0.00 H new ATOM 490 N GLN A 31 30.896 30.373 14.426 1.00 0.00 N ATOM 491 CA GLN A 31 31.986 30.873 13.624 1.00 0.00 C ATOM 492 C GLN A 31 31.632 32.218 12.984 1.00 0.00 C ATOM 493 O GLN A 31 32.449 33.125 12.933 1.00 0.00 O ATOM 494 CB GLN A 31 32.294 29.848 12.527 1.00 0.00 C ATOM 495 CG GLN A 31 33.604 30.127 11.774 1.00 0.00 C ATOM 496 CD GLN A 31 33.873 29.009 10.773 1.00 0.00 C ATOM 497 OE1 GLN A 31 35.003 28.588 10.564 1.00 0.00 O ATOM 498 NE2 GLN A 31 32.844 28.343 10.256 1.00 0.00 N ATOM 0 H GLN A 31 30.487 29.507 14.074 1.00 0.00 H new ATOM 0 HA GLN A 31 32.856 31.024 14.264 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.346 28.855 12.974 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.470 29.834 11.813 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.539 31.084 11.256 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.431 30.202 12.480 1.00 0.00 H new ATOM 0 HE21 GLN A 31 31.892 28.672 10.415 1.00 0.00 H new ATOM 0 HE22 GLN A 31 33.007 27.503 9.701 1.00 0.00 H new ATOM 507 N ASP A 32 30.444 32.465 12.435 1.00 0.00 N ATOM 508 CA ASP A 32 29.896 33.705 11.935 1.00 0.00 C ATOM 509 C ASP A 32 29.959 34.868 12.930 1.00 0.00 C ATOM 510 O ASP A 32 30.468 35.913 12.522 1.00 0.00 O ATOM 511 CB ASP A 32 28.484 33.514 11.405 1.00 0.00 C ATOM 512 CG ASP A 32 27.871 34.580 10.505 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.477 34.781 9.437 1.00 0.00 O ATOM 514 OD2 ASP A 32 26.800 35.127 10.859 1.00 0.00 O ATOM 0 H ASP A 32 29.772 31.706 12.321 1.00 0.00 H new ATOM 0 HA ASP A 32 30.546 33.992 11.108 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.466 32.573 10.856 1.00 0.00 H new ATOM 0 HB3 ASP A 32 27.825 33.394 12.265 1.00 0.00 H new ATOM 519 N LYS A 33 29.648 34.623 14.197 1.00 0.00 N ATOM 520 CA LYS A 33 29.418 35.690 15.160 1.00 0.00 C ATOM 521 C LYS A 33 30.775 35.980 15.794 1.00 0.00 C ATOM 522 O LYS A 33 31.209 37.120 15.924 1.00 0.00 O ATOM 523 CB LYS A 33 28.446 35.336 16.294 1.00 0.00 C ATOM 524 CG LYS A 33 26.998 34.953 15.964 1.00 0.00 C ATOM 525 CD LYS A 33 26.437 35.877 14.891 1.00 0.00 C ATOM 526 CE LYS A 33 25.060 35.335 14.517 1.00 0.00 C ATOM 527 NZ LYS A 33 24.219 36.181 13.646 1.00 0.00 N ATOM 0 H LYS A 33 29.549 33.684 14.583 1.00 0.00 H new ATOM 0 HA LYS A 33 28.969 36.528 14.626 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.883 34.507 16.850 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.411 36.190 16.970 1.00 0.00 H new ATOM 0 HG2 LYS A 33 26.958 33.919 15.621 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.385 35.014 16.863 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.362 36.899 15.262 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.092 35.901 14.020 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.198 34.373 14.024 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.509 35.145 15.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.215 35.984 13.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.418 37.183 13.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.431 35.972 12.650 1.00 0.00 H new ATOM 541 N GLU A 34 31.496 34.943 16.210 1.00 0.00 N ATOM 542 CA GLU A 34 32.520 35.095 17.225 1.00 0.00 C ATOM 543 C GLU A 34 33.918 34.696 16.747 1.00 0.00 C ATOM 544 O GLU A 34 34.948 34.854 17.390 1.00 0.00 O ATOM 545 CB GLU A 34 32.182 34.103 18.328 1.00 0.00 C ATOM 546 CG GLU A 34 31.287 34.755 19.388 1.00 0.00 C ATOM 547 CD GLU A 34 31.969 35.830 20.228 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.651 35.593 21.244 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.892 37.014 19.840 1.00 0.00 O ATOM 0 H GLU A 34 31.387 33.992 15.857 1.00 0.00 H new ATOM 0 HA GLU A 34 32.535 36.144 17.521 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.677 33.236 17.902 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.099 33.741 18.792 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.422 35.196 18.892 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.911 33.978 20.054 1.00 0.00 H new ATOM 556 N GLY A 35 33.985 33.988 15.624 1.00 0.00 N ATOM 557 CA GLY A 35 35.058 33.624 14.718 1.00 0.00 C ATOM 558 C GLY A 35 35.578 32.195 14.788 1.00 0.00 C ATOM 559 O GLY A 35 36.635 31.899 14.222 1.00 0.00 O ATOM 0 H GLY A 35 33.117 33.585 15.271 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.716 33.809 13.700 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.896 34.297 14.900 1.00 0.00 H new ATOM 563 N ILE A 36 35.006 31.357 15.648 1.00 0.00 N ATOM 564 CA ILE A 36 35.586 30.198 16.285 1.00 0.00 C ATOM 565 C ILE A 36 35.310 29.044 15.316 1.00 0.00 C ATOM 566 O ILE A 36 34.151 28.892 14.942 1.00 0.00 O ATOM 567 CB ILE A 36 34.917 29.850 17.620 1.00 0.00 C ATOM 568 CG1 ILE A 36 34.954 31.035 18.580 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.555 28.632 18.290 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.182 30.928 19.888 1.00 0.00 C ATOM 0 H ILE A 36 34.037 31.492 15.937 1.00 0.00 H new ATOM 0 HA ILE A 36 36.640 30.382 16.495 1.00 0.00 H new ATOM 0 HB ILE A 36 33.881 29.605 17.388 1.00 0.00 H new ATOM 0 HG12 ILE A 36 35.998 31.232 18.825 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.582 31.908 18.045 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.046 28.426 19.232 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.466 27.767 17.633 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.609 28.833 18.484 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.306 31.848 20.460 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.124 30.773 19.675 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.562 30.086 20.467 1.00 0.00 H new ATOM 582 N PRO A 37 36.316 28.356 14.789 1.00 0.00 N ATOM 583 CA PRO A 37 36.208 27.224 13.894 1.00 0.00 C ATOM 584 C PRO A 37 35.314 26.084 14.407 1.00 0.00 C ATOM 585 O PRO A 37 35.313 25.899 15.614 1.00 0.00 O ATOM 586 CB PRO A 37 37.633 26.680 13.958 1.00 0.00 C ATOM 587 CG PRO A 37 38.572 27.894 14.011 1.00 0.00 C ATOM 588 CD PRO A 37 37.714 28.678 15.015 1.00 0.00 C ATOM 0 HA PRO A 37 35.796 27.529 12.932 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.767 26.050 14.837 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.850 26.062 13.087 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.572 27.660 14.377 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.694 28.397 13.051 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.000 28.423 16.035 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.878 29.749 14.896 1.00 0.00 H new ATOM 596 N PRO A 38 34.529 25.379 13.598 1.00 0.00 N ATOM 597 CA PRO A 38 33.634 24.327 14.032 1.00 0.00 C ATOM 598 C PRO A 38 34.409 23.151 14.632 1.00 0.00 C ATOM 599 O PRO A 38 34.047 22.723 15.723 1.00 0.00 O ATOM 600 CB PRO A 38 32.751 24.119 12.801 1.00 0.00 C ATOM 601 CG PRO A 38 33.616 24.490 11.599 1.00 0.00 C ATOM 602 CD PRO A 38 34.525 25.585 12.163 1.00 0.00 C ATOM 0 HA PRO A 38 32.983 24.538 14.880 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.411 23.085 12.734 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.860 24.745 12.849 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.188 23.637 11.233 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.016 24.852 10.765 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.532 25.510 11.752 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.150 26.577 11.909 1.00 0.00 H new ATOM 610 N ASP A 39 35.475 22.660 14.004 1.00 0.00 N ATOM 611 CA ASP A 39 36.472 21.734 14.519 1.00 0.00 C ATOM 612 C ASP A 39 36.832 21.797 16.004 1.00 0.00 C ATOM 613 O ASP A 39 37.191 20.788 16.609 1.00 0.00 O ATOM 614 CB ASP A 39 37.597 21.560 13.502 1.00 0.00 C ATOM 615 CG ASP A 39 39.023 21.430 14.011 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.453 20.484 14.712 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.789 22.397 13.774 1.00 0.00 O ATOM 0 H ASP A 39 35.677 22.925 13.040 1.00 0.00 H new ATOM 0 HA ASP A 39 35.979 20.766 14.603 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.374 20.672 12.910 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.564 22.412 12.823 1.00 0.00 H new ATOM 622 N GLN A 40 36.934 23.009 16.528 1.00 0.00 N ATOM 623 CA GLN A 40 37.566 23.499 17.735 1.00 0.00 C ATOM 624 C GLN A 40 36.604 23.769 18.894 1.00 0.00 C ATOM 625 O GLN A 40 37.030 24.128 19.988 1.00 0.00 O ATOM 626 CB GLN A 40 38.083 24.911 17.486 1.00 0.00 C ATOM 627 CG GLN A 40 39.524 24.822 16.990 1.00 0.00 C ATOM 628 CD GLN A 40 40.570 24.714 18.091 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.359 25.211 19.186 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.757 24.275 17.681 1.00 0.00 N ATOM 0 H GLN A 40 36.505 23.790 16.032 1.00 0.00 H new ATOM 0 HA GLN A 40 38.298 22.728 17.977 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.460 25.417 16.749 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.034 25.499 18.403 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.615 23.956 16.334 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.741 25.703 16.386 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.857 23.870 16.750 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.567 24.343 18.298 1.00 0.00 H new ATOM 639 N GLN A 41 35.295 23.638 18.662 1.00 0.00 N ATOM 640 CA GLN A 41 34.220 23.869 19.599 1.00 0.00 C ATOM 641 C GLN A 41 33.790 22.504 20.127 1.00 0.00 C ATOM 642 O GLN A 41 33.758 21.552 19.358 1.00 0.00 O ATOM 643 CB GLN A 41 33.043 24.524 18.867 1.00 0.00 C ATOM 644 CG GLN A 41 33.099 25.998 18.462 1.00 0.00 C ATOM 645 CD GLN A 41 31.925 26.455 17.614 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.807 26.446 18.117 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.152 26.838 16.355 1.00 0.00 N ATOM 0 H GLN A 41 34.947 23.347 17.748 1.00 0.00 H new ATOM 0 HA GLN A 41 34.538 24.522 20.411 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.870 23.948 17.958 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.163 24.398 19.497 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.142 26.610 19.363 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.022 26.177 17.911 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.101 26.828 15.982 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.376 27.141 15.766 1.00 0.00 H new ATOM 656 N ARG A 42 33.169 22.507 21.308 1.00 0.00 N ATOM 657 CA ARG A 42 32.312 21.508 21.912 1.00 0.00 C ATOM 658 C ARG A 42 31.175 22.179 22.685 1.00 0.00 C ATOM 659 O ARG A 42 31.442 23.119 23.433 1.00 0.00 O ATOM 660 CB ARG A 42 33.152 20.565 22.768 1.00 0.00 C ATOM 661 CG ARG A 42 34.147 21.164 23.763 1.00 0.00 C ATOM 662 CD ARG A 42 34.941 20.140 24.567 1.00 0.00 C ATOM 663 NE ARG A 42 36.146 20.694 25.179 1.00 0.00 N ATOM 664 CZ ARG A 42 36.665 20.513 26.396 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.196 19.580 27.235 1.00 0.00 N ATOM 666 NH2 ARG A 42 37.769 21.209 26.706 1.00 0.00 N ATOM 0 H ARG A 42 33.273 23.309 21.930 1.00 0.00 H new ATOM 0 HA ARG A 42 31.838 20.902 21.140 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.467 19.929 23.329 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.710 19.915 22.094 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.846 21.799 23.219 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.604 21.807 24.456 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.302 19.727 25.348 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.221 19.313 23.914 1.00 0.00 H new ATOM 0 HE ARG A 42 36.679 21.323 24.578 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.420 18.982 26.951 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.615 19.467 28.158 1.00 0.00 H new ATOM 0 HH21 ARG A 42 38.179 21.846 26.023 1.00 0.00 H new ATOM 0 HH22 ARG A 42 38.199 21.101 27.625 1.00 0.00 H new ATOM 680 N LEU A 43 29.915 21.813 22.478 1.00 0.00 N ATOM 681 CA LEU A 43 28.818 22.346 23.270 1.00 0.00 C ATOM 682 C LEU A 43 28.184 21.172 24.025 1.00 0.00 C ATOM 683 O LEU A 43 27.900 20.123 23.449 1.00 0.00 O ATOM 684 CB LEU A 43 27.828 22.943 22.266 1.00 0.00 C ATOM 685 CG LEU A 43 28.242 23.987 21.231 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.124 24.149 20.194 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.958 25.260 21.660 1.00 0.00 C ATOM 0 H LEU A 43 29.629 21.144 21.763 1.00 0.00 H new ATOM 0 HA LEU A 43 29.129 23.102 23.991 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.402 22.106 21.713 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.020 23.384 22.849 1.00 0.00 H new ATOM 0 HG LEU A 43 29.125 23.556 20.759 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.419 24.894 19.455 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.947 23.195 19.697 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.210 24.473 20.692 1.00 0.00 H new ATOM 0 HD21 LEU A 43 29.167 25.873 20.783 1.00 0.00 H new ATOM 0 HD22 LEU A 43 28.325 25.818 22.350 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.895 25.002 22.154 1.00 0.00 H new ATOM 699 N ILE A 44 28.170 21.219 25.355 1.00 0.00 N ATOM 700 CA ILE A 44 27.695 20.250 26.317 1.00 0.00 C ATOM 701 C ILE A 44 26.380 20.775 26.900 1.00 0.00 C ATOM 702 O ILE A 44 26.057 21.956 26.887 1.00 0.00 O ATOM 703 CB ILE A 44 28.729 20.012 27.414 1.00 0.00 C ATOM 704 CG1 ILE A 44 30.223 19.889 27.114 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.310 18.834 28.305 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.656 19.019 25.932 1.00 0.00 C ATOM 0 H ILE A 44 28.538 22.041 25.833 1.00 0.00 H new ATOM 0 HA ILE A 44 27.530 19.289 25.830 1.00 0.00 H new ATOM 0 HB ILE A 44 28.691 20.993 27.888 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.613 20.893 26.948 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.711 19.502 28.008 1.00 0.00 H new ATOM 0 HG21 ILE A 44 29.060 18.680 29.081 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.348 19.052 28.768 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.224 17.932 27.699 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.743 19.033 25.849 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.317 17.995 26.090 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.217 19.409 25.013 1.00 0.00 H new ATOM 718 N PHE A 45 25.513 19.872 27.345 1.00 0.00 N ATOM 719 CA PHE A 45 24.217 20.049 27.973 1.00 0.00 C ATOM 720 C PHE A 45 24.022 18.822 28.866 1.00 0.00 C ATOM 721 O PHE A 45 23.938 17.731 28.297 1.00 0.00 O ATOM 722 CB PHE A 45 23.164 20.313 26.895 1.00 0.00 C ATOM 723 CG PHE A 45 22.021 21.249 27.201 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.050 20.729 28.064 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.861 22.420 26.456 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.804 21.389 28.093 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.616 23.066 26.556 1.00 0.00 C ATOM 728 CZ PHE A 45 19.599 22.568 27.369 1.00 0.00 C ATOM 0 H PHE A 45 25.734 18.880 27.262 1.00 0.00 H new ATOM 0 HA PHE A 45 24.127 20.923 28.617 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.682 20.702 26.018 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.735 19.352 26.612 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.246 19.863 28.679 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.654 22.810 25.834 1.00 0.00 H new ATOM 0 HE1 PHE A 45 18.997 20.979 28.682 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.444 23.969 25.990 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.656 23.091 27.440 1.00 0.00 H new ATOM 738 N ALA A 46 24.124 19.005 30.173 1.00 0.00 N ATOM 739 CA ALA A 46 23.740 17.979 31.129 1.00 0.00 C ATOM 740 C ALA A 46 24.646 16.753 31.258 1.00 0.00 C ATOM 741 O ALA A 46 24.390 15.679 31.797 1.00 0.00 O ATOM 742 CB ALA A 46 22.257 17.613 31.212 1.00 0.00 C ATOM 0 H ALA A 46 24.473 19.864 30.599 1.00 0.00 H new ATOM 0 HA ALA A 46 23.936 18.560 32.030 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.115 16.837 31.964 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.679 18.495 31.488 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.918 17.246 30.243 1.00 0.00 H new ATOM 748 N GLY A 47 25.918 16.895 30.880 1.00 0.00 N ATOM 749 CA GLY A 47 26.966 15.919 31.075 1.00 0.00 C ATOM 750 C GLY A 47 27.306 15.241 29.747 1.00 0.00 C ATOM 751 O GLY A 47 28.340 14.595 29.677 1.00 0.00 O ATOM 0 H GLY A 47 26.250 17.736 30.409 1.00 0.00 H new ATOM 0 HA2 GLY A 47 27.853 16.403 31.483 1.00 0.00 H new ATOM 0 HA3 GLY A 47 26.648 15.172 31.802 1.00 0.00 H new ATOM 755 N LYS A 48 26.473 15.423 28.728 1.00 0.00 N ATOM 756 CA LYS A 48 26.522 14.920 27.368 1.00 0.00 C ATOM 757 C LYS A 48 26.754 16.044 26.348 1.00 0.00 C ATOM 758 O LYS A 48 26.139 17.109 26.385 1.00 0.00 O ATOM 759 CB LYS A 48 25.124 14.353 27.153 1.00 0.00 C ATOM 760 CG LYS A 48 24.589 13.242 28.064 1.00 0.00 C ATOM 761 CD LYS A 48 23.185 12.838 27.608 1.00 0.00 C ATOM 762 CE LYS A 48 22.594 11.805 28.576 1.00 0.00 C ATOM 763 NZ LYS A 48 21.500 11.101 27.889 1.00 0.00 N ATOM 0 H LYS A 48 25.643 16.002 28.859 1.00 0.00 H new ATOM 0 HA LYS A 48 27.333 14.204 27.234 1.00 0.00 H new ATOM 0 HB2 LYS A 48 24.425 15.187 27.217 1.00 0.00 H new ATOM 0 HB3 LYS A 48 25.082 13.979 26.130 1.00 0.00 H new ATOM 0 HG2 LYS A 48 25.255 12.380 28.033 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.562 13.587 29.098 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.541 13.717 27.564 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.227 12.423 26.601 1.00 0.00 H new ATOM 0 HE2 LYS A 48 23.361 11.098 28.892 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.224 12.296 29.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.085 10.395 28.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.769 11.785 27.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.871 10.624 27.042 1.00 0.00 H new ATOM 777 N GLN A 49 27.553 15.628 25.372 1.00 0.00 N ATOM 778 CA GLN A 49 28.039 16.472 24.299 1.00 0.00 C ATOM 779 C GLN A 49 27.020 16.318 23.176 1.00 0.00 C ATOM 780 O GLN A 49 26.491 15.232 22.923 1.00 0.00 O ATOM 781 CB GLN A 49 29.394 15.979 23.764 1.00 0.00 C ATOM 782 CG GLN A 49 30.032 16.966 22.790 1.00 0.00 C ATOM 783 CD GLN A 49 31.401 16.600 22.250 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.277 17.458 22.130 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.701 15.329 22.002 1.00 0.00 N ATOM 0 H GLN A 49 27.887 14.666 25.308 1.00 0.00 H new ATOM 0 HA GLN A 49 28.164 17.496 24.650 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.072 15.810 24.601 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.257 15.019 23.266 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.356 17.095 21.945 1.00 0.00 H new ATOM 0 HG3 GLN A 49 30.109 17.933 23.287 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.986 14.608 22.097 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.647 15.075 21.716 1.00 0.00 H new ATOM 794 N LEU A 50 26.708 17.399 22.452 1.00 0.00 N ATOM 795 CA LEU A 50 25.723 17.570 21.401 1.00 0.00 C ATOM 796 C LEU A 50 26.410 17.197 20.085 1.00 0.00 C ATOM 797 O LEU A 50 27.460 17.780 19.821 1.00 0.00 O ATOM 798 CB LEU A 50 25.225 19.022 21.370 1.00 0.00 C ATOM 799 CG LEU A 50 24.638 19.514 22.688 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.001 20.853 22.340 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.533 18.676 23.328 1.00 0.00 C ATOM 0 H LEU A 50 27.205 18.274 22.617 1.00 0.00 H new ATOM 0 HA LEU A 50 24.852 16.937 21.569 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.054 19.672 21.090 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.468 19.117 20.591 1.00 0.00 H new ATOM 0 HG LEU A 50 25.452 19.506 23.413 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.550 21.285 23.234 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.764 21.530 21.955 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.232 20.704 21.582 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.212 19.146 24.258 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.686 18.608 22.645 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.911 17.675 23.539 1.00 0.00 H new ATOM 813 N GLU A 51 26.032 16.132 19.380 1.00 0.00 N ATOM 814 CA GLU A 51 26.661 15.506 18.242 1.00 0.00 C ATOM 815 C GLU A 51 25.977 15.832 16.918 1.00 0.00 C ATOM 816 O GLU A 51 24.915 16.446 16.909 1.00 0.00 O ATOM 817 CB GLU A 51 26.732 14.007 18.537 1.00 0.00 C ATOM 818 CG GLU A 51 28.161 13.496 18.774 1.00 0.00 C ATOM 819 CD GLU A 51 29.247 13.562 17.709 1.00 0.00 C ATOM 820 OE1 GLU A 51 28.813 13.862 16.578 1.00 0.00 O ATOM 821 OE2 GLU A 51 30.441 13.240 17.961 1.00 0.00 O ATOM 0 H GLU A 51 25.176 15.638 19.631 1.00 0.00 H new ATOM 0 HA GLU A 51 27.666 15.905 18.106 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.126 13.789 19.416 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.292 13.459 17.703 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.543 14.034 19.641 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.072 12.449 19.063 1.00 0.00 H new ATOM 828 N ASP A 52 26.769 15.515 15.891 1.00 0.00 N ATOM 829 CA ASP A 52 26.440 15.751 14.500 1.00 0.00 C ATOM 830 C ASP A 52 25.286 14.868 14.005 1.00 0.00 C ATOM 831 O ASP A 52 25.242 13.662 14.218 1.00 0.00 O ATOM 832 CB ASP A 52 27.699 15.518 13.670 1.00 0.00 C ATOM 833 CG ASP A 52 27.688 15.990 12.226 1.00 0.00 C ATOM 834 OD1 ASP A 52 26.661 16.551 11.798 1.00 0.00 O ATOM 835 OD2 ASP A 52 28.703 15.673 11.564 1.00 0.00 O ATOM 0 H ASP A 52 27.681 15.075 16.017 1.00 0.00 H new ATOM 0 HA ASP A 52 26.093 16.779 14.392 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.531 16.007 14.177 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.909 14.448 13.672 1.00 0.00 H new ATOM 840 N GLY A 53 24.342 15.539 13.339 1.00 0.00 N ATOM 841 CA GLY A 53 23.214 14.951 12.655 1.00 0.00 C ATOM 842 C GLY A 53 21.932 14.980 13.497 1.00 0.00 C ATOM 843 O GLY A 53 20.977 14.277 13.181 1.00 0.00 O ATOM 0 H GLY A 53 24.355 16.556 13.266 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.042 15.485 11.720 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.450 13.919 12.394 1.00 0.00 H new ATOM 847 N ARG A 54 21.990 15.534 14.702 1.00 0.00 N ATOM 848 CA ARG A 54 20.887 15.719 15.631 1.00 0.00 C ATOM 849 C ARG A 54 20.223 17.066 15.341 1.00 0.00 C ATOM 850 O ARG A 54 20.735 17.911 14.610 1.00 0.00 O ATOM 851 CB ARG A 54 21.463 15.735 17.051 1.00 0.00 C ATOM 852 CG ARG A 54 22.219 14.479 17.461 1.00 0.00 C ATOM 853 CD ARG A 54 21.246 13.426 17.992 1.00 0.00 C ATOM 854 NE ARG A 54 21.627 12.095 17.530 1.00 0.00 N ATOM 855 CZ ARG A 54 22.366 11.147 18.109 1.00 0.00 C ATOM 856 NH1 ARG A 54 23.131 11.461 19.169 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.414 9.925 17.570 1.00 0.00 N ATOM 0 H ARG A 54 22.869 15.889 15.079 1.00 0.00 H new ATOM 0 HA ARG A 54 20.154 14.919 15.528 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.134 16.589 17.144 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.646 15.893 17.755 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.767 14.081 16.607 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.956 14.723 18.227 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.236 13.449 19.082 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.234 13.657 17.658 1.00 0.00 H new ATOM 0 HE ARG A 54 21.267 11.848 16.608 1.00 0.00 H new ATOM 0 HH11 ARG A 54 23.143 12.417 19.524 1.00 0.00 H new ATOM 0 HH12 ARG A 54 23.699 10.743 19.618 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.887 9.721 16.721 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.977 9.196 18.008 1.00 0.00 H new ATOM 871 N THR A 55 19.022 17.259 15.869 1.00 0.00 N ATOM 872 CA THR A 55 18.344 18.536 15.888 1.00 0.00 C ATOM 873 C THR A 55 18.302 18.965 17.356 1.00 0.00 C ATOM 874 O THR A 55 18.549 18.207 18.288 1.00 0.00 O ATOM 875 CB THR A 55 16.921 18.385 15.329 1.00 0.00 C ATOM 876 OG1 THR A 55 16.038 17.558 16.056 1.00 0.00 O ATOM 877 CG2 THR A 55 16.930 17.774 13.929 1.00 0.00 C ATOM 0 H THR A 55 18.484 16.510 16.305 1.00 0.00 H new ATOM 0 HA THR A 55 18.856 19.276 15.273 1.00 0.00 H new ATOM 0 HB THR A 55 16.565 19.414 15.373 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.493 16.723 16.293 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.907 17.682 13.566 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.498 18.416 13.256 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.392 16.787 13.966 1.00 0.00 H new ATOM 885 N LEU A 56 18.069 20.264 17.549 1.00 0.00 N ATOM 886 CA LEU A 56 17.914 20.888 18.843 1.00 0.00 C ATOM 887 C LEU A 56 16.797 20.201 19.650 1.00 0.00 C ATOM 888 O LEU A 56 17.049 19.844 20.794 1.00 0.00 O ATOM 889 CB LEU A 56 17.607 22.363 18.616 1.00 0.00 C ATOM 890 CG LEU A 56 18.661 23.295 18.017 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.120 24.722 17.934 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.043 23.254 18.679 1.00 0.00 C ATOM 0 H LEU A 56 17.982 20.924 16.776 1.00 0.00 H new ATOM 0 HA LEU A 56 18.830 20.787 19.425 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.730 22.413 17.970 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.318 22.783 19.579 1.00 0.00 H new ATOM 0 HG LEU A 56 18.846 22.908 17.015 1.00 0.00 H new ATOM 0 HD11 LEU A 56 18.880 25.375 17.506 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.231 24.738 17.303 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.862 25.072 18.934 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.709 23.953 18.174 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.952 23.533 19.729 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.452 22.246 18.606 1.00 0.00 H new ATOM 904 N SER A 57 15.716 19.839 18.960 1.00 0.00 N ATOM 905 CA SER A 57 14.562 19.143 19.491 1.00 0.00 C ATOM 906 C SER A 57 14.848 17.753 20.073 1.00 0.00 C ATOM 907 O SER A 57 14.347 17.512 21.164 1.00 0.00 O ATOM 908 CB SER A 57 13.481 19.117 18.416 1.00 0.00 C ATOM 909 OG SER A 57 12.711 20.281 18.214 1.00 0.00 O ATOM 0 H SER A 57 15.625 20.037 17.964 1.00 0.00 H new ATOM 0 HA SER A 57 14.217 19.700 20.362 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.960 18.867 17.469 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.796 18.302 18.652 1.00 0.00 H new ATOM 0 HG SER A 57 12.061 20.123 17.498 1.00 0.00 H new ATOM 915 N ASP A 58 15.785 16.984 19.535 1.00 0.00 N ATOM 916 CA ASP A 58 16.252 15.725 20.094 1.00 0.00 C ATOM 917 C ASP A 58 16.876 15.832 21.486 1.00 0.00 C ATOM 918 O ASP A 58 16.608 14.931 22.269 1.00 0.00 O ATOM 919 CB ASP A 58 17.262 15.014 19.185 1.00 0.00 C ATOM 920 CG ASP A 58 16.740 14.709 17.792 1.00 0.00 C ATOM 921 OD1 ASP A 58 15.652 14.105 17.677 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.388 15.239 16.850 1.00 0.00 O ATOM 0 H ASP A 58 16.257 17.230 18.665 1.00 0.00 H new ATOM 0 HA ASP A 58 15.334 15.144 20.176 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.155 15.633 19.099 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.566 14.081 19.659 1.00 0.00 H new ATOM 927 N TYR A 59 17.644 16.881 21.784 1.00 0.00 N ATOM 928 CA TYR A 59 18.180 17.147 23.108 1.00 0.00 C ATOM 929 C TYR A 59 17.316 18.165 23.853 1.00 0.00 C ATOM 930 O TYR A 59 17.871 18.825 24.729 1.00 0.00 O ATOM 931 CB TYR A 59 19.593 17.672 22.840 1.00 0.00 C ATOM 932 CG TYR A 59 20.591 16.796 22.126 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.098 15.697 22.814 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.172 17.107 20.889 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.075 14.912 22.191 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.208 16.401 20.277 1.00 0.00 C ATOM 937 CZ TYR A 59 22.620 15.241 20.941 1.00 0.00 C ATOM 938 OH TYR A 59 23.540 14.387 20.401 1.00 0.00 O ATOM 0 H TYR A 59 17.913 17.581 21.093 1.00 0.00 H new ATOM 0 HA TYR A 59 18.192 16.265 23.748 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.495 18.592 22.263 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.028 17.944 23.802 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.745 15.456 23.806 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.784 17.968 20.364 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.422 14.020 22.691 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.661 16.728 19.353 1.00 0.00 H new ATOM 0 HH TYR A 59 23.862 13.773 21.093 1.00 0.00 H new ATOM 948 N ASN A 60 16.090 18.513 23.476 1.00 0.00 N ATOM 949 CA ASN A 60 14.999 19.226 24.087 1.00 0.00 C ATOM 950 C ASN A 60 15.207 20.745 24.169 1.00 0.00 C ATOM 951 O ASN A 60 14.458 21.382 24.900 1.00 0.00 O ATOM 952 CB ASN A 60 14.515 18.454 25.317 1.00 0.00 C ATOM 953 CG ASN A 60 15.399 18.381 26.551 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.451 19.334 27.335 1.00 0.00 O ATOM 955 ND2 ASN A 60 15.903 17.183 26.842 1.00 0.00 N ATOM 0 H ASN A 60 15.798 18.235 22.539 1.00 0.00 H new ATOM 0 HA ASN A 60 14.127 19.242 23.433 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.564 18.890 25.622 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.311 17.431 25.001 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.354 17.025 27.743 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.838 16.424 26.164 1.00 0.00 H new ATOM 962 N ILE A 61 16.157 21.348 23.455 1.00 0.00 N ATOM 963 CA ILE A 61 16.596 22.720 23.568 1.00 0.00 C ATOM 964 C ILE A 61 15.519 23.644 22.997 1.00 0.00 C ATOM 965 O ILE A 61 15.232 23.464 21.811 1.00 0.00 O ATOM 966 CB ILE A 61 17.935 22.898 22.850 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.985 21.930 23.391 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.540 24.289 23.104 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.030 21.466 22.378 1.00 0.00 C ATOM 0 H ILE A 61 16.671 20.845 22.732 1.00 0.00 H new ATOM 0 HA ILE A 61 16.747 22.981 24.616 1.00 0.00 H new ATOM 0 HB ILE A 61 17.716 22.733 21.795 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.499 22.407 24.226 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.475 21.053 23.790 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.490 24.374 22.577 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.854 25.055 22.743 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.705 24.424 24.173 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.728 20.783 22.862 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.535 20.954 21.553 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.574 22.329 21.995 1.00 0.00 H new ATOM 981 N GLN A 62 14.879 24.418 23.866 1.00 0.00 N ATOM 982 CA GLN A 62 13.739 25.264 23.588 1.00 0.00 C ATOM 983 C GLN A 62 14.256 26.676 23.339 1.00 0.00 C ATOM 984 O GLN A 62 15.330 27.065 23.789 1.00 0.00 O ATOM 985 CB GLN A 62 12.706 25.252 24.716 1.00 0.00 C ATOM 986 CG GLN A 62 12.281 23.851 25.162 1.00 0.00 C ATOM 987 CD GLN A 62 11.546 23.138 24.026 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.644 23.692 23.425 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.963 21.900 23.752 1.00 0.00 N ATOM 0 H GLN A 62 15.166 24.470 24.843 1.00 0.00 H new ATOM 0 HA GLN A 62 13.221 24.881 22.709 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.115 25.786 25.574 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.823 25.801 24.390 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.157 23.274 25.458 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.635 23.920 26.037 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.725 21.488 24.291 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.520 21.366 23.004 1.00 0.00 H new ATOM 998 N LYS A 63 13.348 27.455 22.767 1.00 0.00 N ATOM 999 CA LYS A 63 13.405 28.854 22.370 1.00 0.00 C ATOM 1000 C LYS A 63 13.962 29.709 23.505 1.00 0.00 C ATOM 1001 O LYS A 63 13.449 29.745 24.615 1.00 0.00 O ATOM 1002 CB LYS A 63 11.948 29.224 22.087 1.00 0.00 C ATOM 1003 CG LYS A 63 11.721 30.650 21.576 1.00 0.00 C ATOM 1004 CD LYS A 63 10.262 31.044 21.829 1.00 0.00 C ATOM 1005 CE LYS A 63 9.830 32.398 21.259 1.00 0.00 C ATOM 1006 NZ LYS A 63 10.253 33.581 22.023 1.00 0.00 N ATOM 0 H LYS A 63 12.432 27.066 22.541 1.00 0.00 H new ATOM 0 HA LYS A 63 14.054 29.019 21.510 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.549 28.525 21.352 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.372 29.088 23.002 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.392 31.343 22.084 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.948 30.709 20.512 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.618 30.272 21.408 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.089 31.052 22.905 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.221 32.485 20.245 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.743 32.408 21.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.382 34.385 21.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.526 33.817 22.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.151 33.379 22.507 1.00 0.00 H new ATOM 1020 N GLU A 64 15.098 30.349 23.265 1.00 0.00 N ATOM 1021 CA GLU A 64 15.692 31.160 24.327 1.00 0.00 C ATOM 1022 C GLU A 64 16.454 30.435 25.442 1.00 0.00 C ATOM 1023 O GLU A 64 16.648 31.011 26.508 1.00 0.00 O ATOM 1024 CB GLU A 64 14.980 32.477 24.586 1.00 0.00 C ATOM 1025 CG GLU A 64 15.043 33.429 23.387 1.00 0.00 C ATOM 1026 CD GLU A 64 13.689 33.785 22.779 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.690 33.588 23.496 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.517 34.159 21.598 1.00 0.00 O ATOM 0 H GLU A 64 15.612 30.329 22.384 1.00 0.00 H new ATOM 0 HA GLU A 64 16.617 31.554 23.906 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.937 32.279 24.833 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.427 32.962 25.454 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.539 34.349 23.697 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.665 32.977 22.614 1.00 0.00 H new ATOM 1035 N SER A 65 16.887 29.197 25.257 1.00 0.00 N ATOM 1036 CA SER A 65 17.783 28.479 26.152 1.00 0.00 C ATOM 1037 C SER A 65 19.157 29.065 25.843 1.00 0.00 C ATOM 1038 O SER A 65 19.444 29.403 24.699 1.00 0.00 O ATOM 1039 CB SER A 65 17.830 26.967 25.925 1.00 0.00 C ATOM 1040 OG SER A 65 16.485 26.603 26.183 1.00 0.00 O ATOM 0 H SER A 65 16.613 28.642 24.446 1.00 0.00 H new ATOM 0 HA SER A 65 17.446 28.597 27.182 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.137 26.713 24.910 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.526 26.472 26.602 1.00 0.00 H new ATOM 0 HG SER A 65 15.971 26.639 25.350 1.00 0.00 H new ATOM 1046 N THR A 66 20.049 29.006 26.822 1.00 0.00 N ATOM 1047 CA THR A 66 21.450 29.367 26.727 1.00 0.00 C ATOM 1048 C THR A 66 22.249 28.063 26.750 1.00 0.00 C ATOM 1049 O THR A 66 22.024 27.218 27.606 1.00 0.00 O ATOM 1050 CB THR A 66 21.765 30.370 27.840 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.160 31.597 27.499 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.249 30.603 28.115 1.00 0.00 C ATOM 0 H THR A 66 19.796 28.686 27.757 1.00 0.00 H new ATOM 0 HA THR A 66 21.722 29.878 25.803 1.00 0.00 H new ATOM 0 HB THR A 66 21.371 29.940 28.761 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.345 32.258 28.198 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.360 31.330 28.920 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.717 29.663 28.408 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.731 30.983 27.214 1.00 0.00 H new ATOM 1060 N LEU A 67 23.137 27.942 25.770 1.00 0.00 N ATOM 1061 CA LEU A 67 24.220 26.983 25.779 1.00 0.00 C ATOM 1062 C LEU A 67 25.450 27.794 26.217 1.00 0.00 C ATOM 1063 O LEU A 67 25.526 29.010 26.158 1.00 0.00 O ATOM 1064 CB LEU A 67 24.284 26.365 24.380 1.00 0.00 C ATOM 1065 CG LEU A 67 23.196 25.398 23.909 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.916 26.186 23.641 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.468 24.475 22.710 1.00 0.00 C ATOM 0 H LEU A 67 23.118 28.523 24.932 1.00 0.00 H new ATOM 0 HA LEU A 67 24.120 26.138 26.461 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.315 27.188 23.666 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.236 25.840 24.303 1.00 0.00 H new ATOM 0 HG LEU A 67 23.132 24.695 24.740 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.134 25.506 23.305 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.596 26.683 24.557 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.103 26.933 22.870 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.589 23.860 22.517 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.689 25.078 21.829 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.319 23.832 22.932 1.00 0.00 H new ATOM 1079 N HIS A 68 26.403 27.040 26.765 1.00 0.00 N ATOM 1080 CA HIS A 68 27.762 27.552 26.832 1.00 0.00 C ATOM 1081 C HIS A 68 28.562 26.952 25.669 1.00 0.00 C ATOM 1082 O HIS A 68 28.099 25.927 25.184 1.00 0.00 O ATOM 1083 CB HIS A 68 28.433 27.098 28.129 1.00 0.00 C ATOM 1084 CG HIS A 68 27.825 27.600 29.406 1.00 0.00 C ATOM 1085 ND1 HIS A 68 27.842 28.939 29.811 1.00 0.00 N ATOM 1086 CD2 HIS A 68 27.263 26.909 30.438 1.00 0.00 C ATOM 1087 CE1 HIS A 68 27.157 29.019 30.951 1.00 0.00 C ATOM 1088 NE2 HIS A 68 26.825 27.795 31.406 1.00 0.00 N ATOM 0 H HIS A 68 26.264 26.108 27.154 1.00 0.00 H new ATOM 0 HA HIS A 68 27.735 28.641 26.786 1.00 0.00 H new ATOM 0 HB2 HIS A 68 28.427 26.008 28.153 1.00 0.00 H new ATOM 0 HB3 HIS A 68 29.477 27.411 28.101 1.00 0.00 H new ATOM 0 HD2 HIS A 68 27.173 25.834 30.492 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.901 29.944 31.446 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.351 27.569 32.280 1.00 0.00 H new ATOM 1096 N LEU A 69 29.555 27.660 25.139 1.00 0.00 N ATOM 1097 CA LEU A 69 30.566 27.076 24.288 1.00 0.00 C ATOM 1098 C LEU A 69 31.829 26.748 25.088 1.00 0.00 C ATOM 1099 O LEU A 69 32.182 27.518 25.984 1.00 0.00 O ATOM 1100 CB LEU A 69 30.863 27.915 23.043 1.00 0.00 C ATOM 1101 CG LEU A 69 31.273 29.373 23.216 1.00 0.00 C ATOM 1102 CD1 LEU A 69 32.787 29.544 23.281 1.00 0.00 C ATOM 1103 CD2 LEU A 69 30.747 30.259 22.087 1.00 0.00 C ATOM 0 H LEU A 69 29.674 28.661 25.294 1.00 0.00 H new ATOM 0 HA LEU A 69 30.160 26.138 23.909 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.657 27.413 22.490 1.00 0.00 H new ATOM 0 HB3 LEU A 69 29.974 27.896 22.413 1.00 0.00 H new ATOM 0 HG LEU A 69 30.829 29.682 24.162 1.00 0.00 H new ATOM 0 HD11 LEU A 69 33.029 30.600 23.405 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.181 28.980 24.127 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.235 29.175 22.358 1.00 0.00 H new ATOM 0 HD21 LEU A 69 31.065 31.288 22.254 1.00 0.00 H new ATOM 0 HD22 LEU A 69 31.143 29.907 21.134 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.658 30.214 22.067 1.00 0.00 H new ATOM 1115 N VAL A 70 32.599 25.747 24.669 1.00 0.00 N ATOM 1116 CA VAL A 70 33.816 25.288 25.307 1.00 0.00 C ATOM 1117 C VAL A 70 34.734 24.920 24.137 1.00 0.00 C ATOM 1118 O VAL A 70 34.279 24.369 23.136 1.00 0.00 O ATOM 1119 CB VAL A 70 33.609 24.211 26.368 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.930 23.852 27.038 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.716 24.744 27.487 1.00 0.00 C ATOM 0 H VAL A 70 32.373 25.211 23.831 1.00 0.00 H new ATOM 0 HA VAL A 70 34.276 26.056 25.928 1.00 0.00 H new ATOM 0 HB VAL A 70 33.169 23.349 25.866 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.759 23.083 27.791 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.628 23.478 26.289 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.349 24.738 27.514 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.574 23.968 28.240 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.187 25.613 27.946 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.749 25.031 27.075 1.00 0.00 H new ATOM 1131 N LEU A 71 35.936 25.485 24.091 1.00 0.00 N ATOM 1132 CA LEU A 71 36.911 25.330 23.030 1.00 0.00 C ATOM 1133 C LEU A 71 37.667 24.009 23.194 1.00 0.00 C ATOM 1134 O LEU A 71 37.500 23.296 24.181 1.00 0.00 O ATOM 1135 CB LEU A 71 37.935 26.471 23.072 1.00 0.00 C ATOM 1136 CG LEU A 71 37.284 27.837 22.842 1.00 0.00 C ATOM 1137 CD1 LEU A 71 38.325 28.942 22.968 1.00 0.00 C ATOM 1138 CD2 LEU A 71 36.332 27.989 21.652 1.00 0.00 C ATOM 0 H LEU A 71 36.269 26.096 24.837 1.00 0.00 H new ATOM 0 HA LEU A 71 36.376 25.343 22.081 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.440 26.469 24.038 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.698 26.301 22.312 1.00 0.00 H new ATOM 0 HG LEU A 71 36.560 27.938 23.651 1.00 0.00 H new ATOM 0 HD11 LEU A 71 37.851 29.909 22.802 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.762 28.918 23.966 1.00 0.00 H new ATOM 0 HD13 LEU A 71 39.108 28.790 22.225 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.951 29.010 21.619 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.867 27.772 20.728 1.00 0.00 H new ATOM 0 HD23 LEU A 71 35.499 27.294 21.761 1.00 0.00 H new