USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 66 THR OG1 : rot -166:sc= 0.0545 USER MOD Set 1.2: A 68 HIS :FLIP no HD1:sc= -0.0287 F(o=-0.68,f=0.026) USER MOD Set 2.1: A 7 THR OG1 : rot 124:sc= 0.828 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.742 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.767 (180deg=-3.24!) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.199 (180deg=-0.0877) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 6 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0811) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -0.0235 (180deg=-0.356) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0877 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -2.69 F(o=-4.7!,f=-2.7) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= -2.93 (180deg=-3.16) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc=-0.00618 (180deg=-0.174) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.1 F(o=-1.2,f=-0.1) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.02 (180deg=-0.406) USER MOD Single : A 40 GLN : amide:sc= -0.0996 X(o=-0.1,f=-0.12) USER MOD Single : A 41 GLN : amide:sc= -0.011 K(o=-0.011,f=-1.7!) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc=-0.000965 (180deg=-0.131) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 64:sc= 0.526 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.429 USER MOD Single : A 60 ASN : amide:sc= -0.315 K(o=-0.31,f=-1.6) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0136 F(o=-0.83,f=-0.014) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.033 25.252 1.528 1.00 0.00 N ATOM 2 CA MET A 1 30.682 25.846 1.729 1.00 0.00 C ATOM 3 C MET A 1 30.823 27.195 2.431 1.00 0.00 C ATOM 4 O MET A 1 31.924 27.748 2.515 1.00 0.00 O ATOM 5 CB MET A 1 29.827 24.897 2.574 1.00 0.00 C ATOM 6 CG MET A 1 29.729 23.534 1.883 1.00 0.00 C ATOM 7 SD MET A 1 28.481 22.525 2.722 1.00 0.00 S ATOM 8 CE MET A 1 29.264 22.506 4.354 1.00 0.00 C ATOM 0 H1 MET A 1 31.966 24.453 0.865 1.00 0.00 H new ATOM 0 H2 MET A 1 32.674 25.972 1.139 1.00 0.00 H new ATOM 0 H3 MET A 1 32.403 24.915 2.440 1.00 0.00 H new ATOM 0 HA MET A 1 30.197 25.995 0.764 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.266 24.782 3.565 1.00 0.00 H new ATOM 0 HB3 MET A 1 28.831 25.317 2.714 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.463 23.664 0.834 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.696 23.031 1.907 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.928 21.630 4.909 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.347 22.468 4.237 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.989 23.409 4.900 1.00 0.00 H new ATOM 20 N GLN A 2 29.706 27.714 2.950 1.00 0.00 N ATOM 21 CA GLN A 2 29.707 28.994 3.649 1.00 0.00 C ATOM 22 C GLN A 2 28.809 28.928 4.875 1.00 0.00 C ATOM 23 O GLN A 2 27.687 28.433 4.810 1.00 0.00 O ATOM 24 CB GLN A 2 29.213 30.088 2.717 1.00 0.00 C ATOM 25 CG GLN A 2 30.085 30.124 1.461 1.00 0.00 C ATOM 26 CD GLN A 2 29.819 31.402 0.675 1.00 0.00 C ATOM 27 OE1 GLN A 2 28.664 31.753 0.432 1.00 0.00 O ATOM 28 NE2 GLN A 2 30.824 32.125 0.262 1.00 0.00 N ATOM 0 H GLN A 2 28.792 27.264 2.897 1.00 0.00 H new ATOM 0 HA GLN A 2 30.725 29.218 3.968 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.173 29.906 2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.246 31.053 3.223 1.00 0.00 H new ATOM 0 HG2 GLN A 2 31.138 30.071 1.738 1.00 0.00 H new ATOM 0 HG3 GLN A 2 29.875 29.254 0.838 1.00 0.00 H new ATOM 0 HE21 GLN A 2 31.780 31.832 0.464 1.00 0.00 H new ATOM 0 HE22 GLN A 2 30.653 32.983 -0.263 1.00 0.00 H new ATOM 37 N ILE A 3 29.325 29.415 5.999 1.00 0.00 N ATOM 38 CA ILE A 3 28.582 29.396 7.263 1.00 0.00 C ATOM 39 C ILE A 3 28.385 30.808 7.801 1.00 0.00 C ATOM 40 O ILE A 3 29.309 31.610 7.802 1.00 0.00 O ATOM 41 CB ILE A 3 29.342 28.542 8.321 1.00 0.00 C ATOM 42 CG1 ILE A 3 30.630 27.978 7.704 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.467 27.375 8.787 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.296 26.979 6.584 1.00 0.00 C ATOM 0 H ILE A 3 30.255 29.829 6.065 1.00 0.00 H new ATOM 0 HA ILE A 3 27.604 28.954 7.071 1.00 0.00 H new ATOM 0 HB ILE A 3 29.584 29.179 9.172 1.00 0.00 H new ATOM 0 HG12 ILE A 3 31.236 28.791 7.305 1.00 0.00 H new ATOM 0 HG13 ILE A 3 31.224 27.486 8.474 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.010 26.786 9.526 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.551 27.762 9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.216 26.745 7.934 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.220 26.589 6.157 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.709 26.156 6.993 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.722 27.483 5.807 1.00 0.00 H new ATOM 56 N PHE A 4 27.177 31.080 8.278 1.00 0.00 N ATOM 57 CA PHE A 4 26.851 32.391 8.838 1.00 0.00 C ATOM 58 C PHE A 4 27.046 32.375 10.350 1.00 0.00 C ATOM 59 O PHE A 4 26.383 31.616 11.054 1.00 0.00 O ATOM 60 CB PHE A 4 25.398 32.734 8.521 1.00 0.00 C ATOM 61 CG PHE A 4 25.243 32.971 7.038 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.815 31.930 6.205 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.522 34.231 6.496 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.663 32.151 4.830 1.00 0.00 C ATOM 65 CE2 PHE A 4 25.373 34.451 5.123 1.00 0.00 C ATOM 66 CZ PHE A 4 24.944 33.411 4.290 1.00 0.00 C ATOM 0 H PHE A 4 26.406 30.413 8.290 1.00 0.00 H new ATOM 0 HA PHE A 4 27.510 33.139 8.398 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.745 31.922 8.839 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.095 33.623 9.075 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.602 30.957 6.622 1.00 0.00 H new ATOM 0 HD2 PHE A 4 25.853 35.034 7.138 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.329 31.350 4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 4 25.589 35.423 4.705 1.00 0.00 H new ATOM 0 HZ PHE A 4 24.830 33.581 3.230 1.00 0.00 H new ATOM 76 N VAL A 5 27.938 33.232 10.860 1.00 0.00 N ATOM 77 CA VAL A 5 28.192 33.314 12.297 1.00 0.00 C ATOM 78 C VAL A 5 27.595 34.588 12.865 1.00 0.00 C ATOM 79 O VAL A 5 27.681 35.655 12.259 1.00 0.00 O ATOM 80 CB VAL A 5 29.697 33.268 12.573 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.966 33.563 14.055 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.205 31.864 12.249 1.00 0.00 C ATOM 0 H VAL A 5 28.494 33.876 10.297 1.00 0.00 H new ATOM 0 HA VAL A 5 27.720 32.460 12.783 1.00 0.00 H new ATOM 0 HB VAL A 5 30.205 34.013 11.960 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.039 33.529 14.244 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.585 34.554 14.304 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.465 32.817 14.671 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.277 31.812 12.440 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.689 31.137 12.876 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.012 31.640 11.200 1.00 0.00 H new ATOM 92 N LYS A 6 27.005 34.466 14.044 1.00 0.00 N ATOM 93 CA LYS A 6 26.391 35.597 14.722 1.00 0.00 C ATOM 94 C LYS A 6 27.109 35.875 16.047 1.00 0.00 C ATOM 95 O LYS A 6 26.946 35.133 17.016 1.00 0.00 O ATOM 96 CB LYS A 6 24.925 35.251 14.971 1.00 0.00 C ATOM 97 CG LYS A 6 24.092 36.517 15.112 1.00 0.00 C ATOM 98 CD LYS A 6 22.623 36.115 15.250 1.00 0.00 C ATOM 99 CE LYS A 6 21.732 37.354 15.202 1.00 0.00 C ATOM 100 NZ LYS A 6 21.943 38.163 16.433 1.00 0.00 N ATOM 0 H LYS A 6 26.938 33.586 14.555 1.00 0.00 H new ATOM 0 HA LYS A 6 26.467 36.495 14.109 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.543 34.648 14.147 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.836 34.648 15.875 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.413 37.087 15.984 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.229 37.160 14.243 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.349 35.429 14.448 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.470 35.584 16.190 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.965 37.949 14.319 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.685 37.060 15.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.233 38.921 16.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.849 37.553 17.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.895 38.581 16.415 1.00 0.00 H new ATOM 114 N THR A 7 27.900 36.944 16.078 1.00 0.00 N ATOM 115 CA THR A 7 28.638 37.304 17.288 1.00 0.00 C ATOM 116 C THR A 7 27.686 37.849 18.350 1.00 0.00 C ATOM 117 O THR A 7 26.530 38.149 18.059 1.00 0.00 O ATOM 118 CB THR A 7 29.706 38.355 16.964 1.00 0.00 C ATOM 119 OG1 THR A 7 29.077 39.598 16.693 1.00 0.00 O ATOM 120 CG2 THR A 7 30.522 37.910 15.741 1.00 0.00 C ATOM 0 H THR A 7 28.047 37.572 15.288 1.00 0.00 H new ATOM 0 HA THR A 7 29.124 36.408 17.674 1.00 0.00 H new ATOM 0 HB THR A 7 30.375 38.464 17.817 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.435 40.284 17.295 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.279 38.661 15.516 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.008 36.958 15.954 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.859 37.795 14.884 1.00 0.00 H new ATOM 128 N LEU A 8 28.162 37.976 19.586 1.00 0.00 N ATOM 129 CA LEU A 8 27.315 38.481 20.663 1.00 0.00 C ATOM 130 C LEU A 8 27.047 39.973 20.493 1.00 0.00 C ATOM 131 O LEU A 8 26.044 40.488 20.985 1.00 0.00 O ATOM 132 CB LEU A 8 27.992 38.232 22.017 1.00 0.00 C ATOM 133 CG LEU A 8 29.334 39.012 22.094 1.00 0.00 C ATOM 134 CD1 LEU A 8 29.151 40.307 22.901 1.00 0.00 C ATOM 135 CD2 LEU A 8 30.404 38.148 22.776 1.00 0.00 C ATOM 0 H LEU A 8 29.115 37.740 19.864 1.00 0.00 H new ATOM 0 HA LEU A 8 26.363 37.952 20.625 1.00 0.00 H new ATOM 0 HB2 LEU A 8 27.332 38.547 22.826 1.00 0.00 H new ATOM 0 HB3 LEU A 8 28.174 37.166 22.151 1.00 0.00 H new ATOM 0 HG LEU A 8 29.649 39.257 21.080 1.00 0.00 H new ATOM 0 HD11 LEU A 8 30.099 40.844 22.947 1.00 0.00 H new ATOM 0 HD12 LEU A 8 28.402 40.934 22.418 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.823 40.063 23.911 1.00 0.00 H new ATOM 0 HD21 LEU A 8 31.341 38.702 22.826 1.00 0.00 H new ATOM 0 HD22 LEU A 8 30.078 37.894 23.785 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.553 37.233 22.202 1.00 0.00 H new ATOM 147 N THR A 9 27.948 40.668 19.803 1.00 0.00 N ATOM 148 CA THR A 9 27.780 42.101 19.591 1.00 0.00 C ATOM 149 C THR A 9 26.713 42.363 18.535 1.00 0.00 C ATOM 150 O THR A 9 26.341 43.508 18.286 1.00 0.00 O ATOM 151 CB THR A 9 29.102 42.735 19.153 1.00 0.00 C ATOM 152 OG1 THR A 9 29.628 42.012 18.050 1.00 0.00 O ATOM 153 CG2 THR A 9 30.097 42.701 20.314 1.00 0.00 C ATOM 0 H THR A 9 28.789 40.269 19.387 1.00 0.00 H new ATOM 0 HA THR A 9 27.465 42.549 20.533 1.00 0.00 H new ATOM 0 HB THR A 9 28.930 43.770 18.859 1.00 0.00 H new ATOM 0 HG1 THR A 9 30.474 42.417 17.767 1.00 0.00 H new ATOM 0 HG21 THR A 9 31.038 43.153 20.000 1.00 0.00 H new ATOM 0 HG22 THR A 9 29.690 43.258 21.158 1.00 0.00 H new ATOM 0 HG23 THR A 9 30.273 41.667 20.612 1.00 0.00 H new ATOM 161 N GLY A 10 26.218 41.293 17.916 1.00 0.00 N ATOM 162 CA GLY A 10 25.190 41.422 16.888 1.00 0.00 C ATOM 163 C GLY A 10 25.817 41.585 15.509 1.00 0.00 C ATOM 164 O GLY A 10 25.145 41.985 14.559 1.00 0.00 O ATOM 0 H GLY A 10 26.510 40.335 18.107 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.548 40.541 16.898 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.556 42.281 17.108 1.00 0.00 H new ATOM 168 N LYS A 11 27.099 41.243 15.396 1.00 0.00 N ATOM 169 CA LYS A 11 27.796 41.322 14.114 1.00 0.00 C ATOM 170 C LYS A 11 27.676 39.990 13.392 1.00 0.00 C ATOM 171 O LYS A 11 27.635 38.935 14.028 1.00 0.00 O ATOM 172 CB LYS A 11 29.273 41.666 14.327 1.00 0.00 C ATOM 173 CG LYS A 11 29.952 41.891 12.971 1.00 0.00 C ATOM 174 CD LYS A 11 31.393 42.366 13.190 1.00 0.00 C ATOM 175 CE LYS A 11 32.063 42.612 11.836 1.00 0.00 C ATOM 176 NZ LYS A 11 31.428 43.784 11.172 1.00 0.00 N ATOM 0 H LYS A 11 27.673 40.911 16.171 1.00 0.00 H new ATOM 0 HA LYS A 11 27.341 42.108 13.511 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.363 42.561 14.942 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.771 40.859 14.864 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.947 40.967 12.393 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.398 42.631 12.394 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.399 43.281 13.782 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.952 41.618 13.753 1.00 0.00 H new ATOM 0 HE2 LYS A 11 33.129 42.792 11.974 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.968 41.728 11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.055 44.140 10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.519 43.497 10.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.266 44.535 11.873 1.00 0.00 H new ATOM 190 N THR A 12 27.619 40.037 12.067 1.00 0.00 N ATOM 191 CA THR A 12 27.501 38.819 11.264 1.00 0.00 C ATOM 192 C THR A 12 28.698 38.673 10.334 1.00 0.00 C ATOM 193 O THR A 12 28.963 39.546 9.509 1.00 0.00 O ATOM 194 CB THR A 12 26.221 38.883 10.429 1.00 0.00 C ATOM 195 OG1 THR A 12 25.097 38.898 11.295 1.00 0.00 O ATOM 196 CG2 THR A 12 26.143 37.659 9.508 1.00 0.00 C ATOM 0 H THR A 12 27.652 40.900 11.524 1.00 0.00 H new ATOM 0 HA THR A 12 27.468 37.960 11.935 1.00 0.00 H new ATOM 0 HB THR A 12 26.228 39.788 9.822 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.275 38.941 10.763 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.230 37.708 8.915 1.00 0.00 H new ATOM 0 HG22 THR A 12 27.007 37.648 8.844 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.136 36.750 10.110 1.00 0.00 H new ATOM 204 N ILE A 13 29.419 37.561 10.464 1.00 0.00 N ATOM 205 CA ILE A 13 30.587 37.306 9.613 1.00 0.00 C ATOM 206 C ILE A 13 30.524 35.891 9.058 1.00 0.00 C ATOM 207 O ILE A 13 30.327 34.927 9.795 1.00 0.00 O ATOM 208 CB ILE A 13 31.874 37.480 10.419 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.087 37.437 9.477 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.981 36.353 11.450 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.375 37.563 10.291 1.00 0.00 C ATOM 0 H ILE A 13 29.220 36.826 11.143 1.00 0.00 H new ATOM 0 HA ILE A 13 30.582 38.019 8.789 1.00 0.00 H new ATOM 0 HB ILE A 13 31.855 38.442 10.931 1.00 0.00 H new ATOM 0 HG12 ILE A 13 33.090 36.503 8.915 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.024 38.247 8.750 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.898 36.474 12.027 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.123 36.391 12.121 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.999 35.391 10.937 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.234 37.532 9.620 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.372 38.509 10.833 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.439 36.738 11.001 1.00 0.00 H new ATOM 223 N THR A 14 30.661 35.778 7.748 1.00 0.00 N ATOM 224 CA THR A 14 30.594 34.478 7.084 1.00 0.00 C ATOM 225 C THR A 14 31.962 33.796 7.060 1.00 0.00 C ATOM 226 O THR A 14 33.005 34.451 7.015 1.00 0.00 O ATOM 227 CB THR A 14 30.058 34.654 5.650 1.00 0.00 C ATOM 228 OG1 THR A 14 30.363 35.967 5.203 1.00 0.00 O ATOM 229 CG2 THR A 14 28.535 34.449 5.631 1.00 0.00 C ATOM 0 H THR A 14 30.819 36.566 7.120 1.00 0.00 H new ATOM 0 HA THR A 14 29.915 33.839 7.648 1.00 0.00 H new ATOM 0 HB THR A 14 30.524 33.918 4.994 1.00 0.00 H new ATOM 0 HG1 THR A 14 30.027 36.088 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.164 34.575 4.614 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.299 33.444 5.982 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.061 35.182 6.284 1.00 0.00 H new ATOM 237 N LEU A 15 31.922 32.464 7.100 1.00 0.00 N ATOM 238 CA LEU A 15 33.131 31.643 7.096 1.00 0.00 C ATOM 239 C LEU A 15 33.121 30.673 5.912 1.00 0.00 C ATOM 240 O LEU A 15 32.119 30.026 5.641 1.00 0.00 O ATOM 241 CB LEU A 15 33.185 30.849 8.429 1.00 0.00 C ATOM 242 CG LEU A 15 34.507 31.087 9.170 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.524 32.497 9.766 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.636 30.060 10.300 1.00 0.00 C ATOM 0 H LEU A 15 31.055 31.927 7.136 1.00 0.00 H new ATOM 0 HA LEU A 15 34.008 32.283 7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 15 32.351 31.146 9.065 1.00 0.00 H new ATOM 0 HB3 LEU A 15 33.067 29.785 8.225 1.00 0.00 H new ATOM 0 HG LEU A 15 35.338 30.983 8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.466 32.659 10.291 1.00 0.00 H new ATOM 0 HD12 LEU A 15 34.423 33.231 8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.695 32.606 10.466 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.573 30.221 10.833 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.801 30.173 10.992 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.626 29.054 9.880 1.00 0.00 H new ATOM 256 N GLU A 16 34.255 30.562 5.232 1.00 0.00 N ATOM 257 CA GLU A 16 34.376 29.632 4.107 1.00 0.00 C ATOM 258 C GLU A 16 35.118 28.390 4.586 1.00 0.00 C ATOM 259 O GLU A 16 36.223 28.493 5.121 1.00 0.00 O ATOM 260 CB GLU A 16 35.145 30.280 2.955 1.00 0.00 C ATOM 261 CG GLU A 16 34.995 29.423 1.696 1.00 0.00 C ATOM 262 CD GLU A 16 35.778 30.045 0.546 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.985 31.247 0.579 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.161 29.311 -0.350 1.00 0.00 O ATOM 0 H GLU A 16 35.099 31.097 5.434 1.00 0.00 H new ATOM 0 HA GLU A 16 33.383 29.365 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.766 31.285 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.198 30.379 3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.356 28.413 1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.942 29.339 1.427 1.00 0.00 H new ATOM 271 N VAL A 17 34.517 27.218 4.395 1.00 0.00 N ATOM 272 CA VAL A 17 35.155 25.968 4.823 1.00 0.00 C ATOM 273 C VAL A 17 34.654 24.791 3.994 1.00 0.00 C ATOM 274 O VAL A 17 33.780 24.929 3.148 1.00 0.00 O ATOM 275 CB VAL A 17 34.885 25.716 6.319 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.388 25.508 6.567 1.00 0.00 C ATOM 277 CG2 VAL A 17 35.651 24.489 6.825 1.00 0.00 C ATOM 0 H VAL A 17 33.604 27.104 3.954 1.00 0.00 H new ATOM 0 HA VAL A 17 36.230 26.064 4.668 1.00 0.00 H new ATOM 0 HB VAL A 17 35.229 26.595 6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 17 33.216 25.331 7.629 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.840 26.397 6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.041 24.647 5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 17 35.439 24.339 7.884 1.00 0.00 H new ATOM 0 HG22 VAL A 17 35.339 23.608 6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.721 24.646 6.688 1.00 0.00 H new ATOM 287 N GLU A 18 35.223 23.640 4.271 1.00 0.00 N ATOM 288 CA GLU A 18 34.851 22.392 3.583 1.00 0.00 C ATOM 289 C GLU A 18 33.825 21.631 4.429 1.00 0.00 C ATOM 290 O GLU A 18 33.827 21.758 5.653 1.00 0.00 O ATOM 291 CB GLU A 18 36.094 21.517 3.372 1.00 0.00 C ATOM 292 CG GLU A 18 36.974 22.130 2.278 1.00 0.00 C ATOM 293 CD GLU A 18 36.313 21.955 0.916 1.00 0.00 C ATOM 294 OE1 GLU A 18 35.832 20.865 0.649 1.00 0.00 O ATOM 295 OE2 GLU A 18 36.297 22.911 0.159 1.00 0.00 O ATOM 0 H GLU A 18 35.954 23.526 4.973 1.00 0.00 H new ATOM 0 HA GLU A 18 34.418 22.634 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 18 36.656 21.436 4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 18 35.797 20.507 3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 18 37.134 23.189 2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 18 37.954 21.653 2.279 1.00 0.00 H new ATOM 302 N PRO A 19 32.955 20.848 3.837 1.00 0.00 N ATOM 303 CA PRO A 19 31.940 20.081 4.621 1.00 0.00 C ATOM 304 C PRO A 19 32.579 18.946 5.425 1.00 0.00 C ATOM 305 O PRO A 19 32.059 18.544 6.466 1.00 0.00 O ATOM 306 CB PRO A 19 30.979 19.545 3.550 1.00 0.00 C ATOM 307 CG PRO A 19 31.802 19.463 2.301 1.00 0.00 C ATOM 308 CD PRO A 19 32.826 20.603 2.385 1.00 0.00 C ATOM 0 HA PRO A 19 31.437 20.698 5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.583 18.568 3.827 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.125 20.209 3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 19 32.301 18.497 2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.176 19.567 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 19 33.780 20.319 1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 19 32.480 21.492 1.858 1.00 0.00 H new ATOM 316 N SER A 20 33.708 18.439 4.938 1.00 0.00 N ATOM 317 CA SER A 20 34.411 17.352 5.622 1.00 0.00 C ATOM 318 C SER A 20 35.370 17.909 6.669 1.00 0.00 C ATOM 319 O SER A 20 36.124 17.161 7.296 1.00 0.00 O ATOM 320 CB SER A 20 35.192 16.520 4.604 1.00 0.00 C ATOM 321 OG SER A 20 34.281 15.897 3.707 1.00 0.00 O ATOM 0 H SER A 20 34.155 18.759 4.079 1.00 0.00 H new ATOM 0 HA SER A 20 33.674 16.722 6.121 1.00 0.00 H new ATOM 0 HB2 SER A 20 35.885 17.156 4.053 1.00 0.00 H new ATOM 0 HB3 SER A 20 35.789 15.766 5.116 1.00 0.00 H new ATOM 0 HG SER A 20 34.779 15.364 3.052 1.00 0.00 H new ATOM 327 N ASP A 21 35.317 19.222 6.871 1.00 0.00 N ATOM 328 CA ASP A 21 36.162 19.869 7.866 1.00 0.00 C ATOM 329 C ASP A 21 35.661 19.556 9.270 1.00 0.00 C ATOM 330 O ASP A 21 34.455 19.409 9.491 1.00 0.00 O ATOM 331 CB ASP A 21 36.164 21.380 7.642 1.00 0.00 C ATOM 332 CG ASP A 21 37.432 22.001 8.221 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.133 21.306 8.932 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.681 23.161 7.945 1.00 0.00 O ATOM 0 H ASP A 21 34.701 19.855 6.361 1.00 0.00 H new ATOM 0 HA ASP A 21 37.178 19.489 7.763 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.100 21.596 6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 21 35.286 21.825 8.111 1.00 0.00 H new ATOM 339 N THR A 22 36.582 19.485 10.217 1.00 0.00 N ATOM 340 CA THR A 22 36.225 19.220 11.607 1.00 0.00 C ATOM 341 C THR A 22 35.875 20.518 12.331 1.00 0.00 C ATOM 342 O THR A 22 36.103 21.617 11.816 1.00 0.00 O ATOM 343 CB THR A 22 37.383 18.523 12.327 1.00 0.00 C ATOM 344 OG1 THR A 22 38.542 19.338 12.257 1.00 0.00 O ATOM 345 CG2 THR A 22 37.660 17.174 11.662 1.00 0.00 C ATOM 0 H THR A 22 37.581 19.606 10.052 1.00 0.00 H new ATOM 0 HA THR A 22 35.352 18.568 11.616 1.00 0.00 H new ATOM 0 HB THR A 22 37.118 18.361 13.372 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.283 18.893 12.719 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.484 16.678 12.175 1.00 0.00 H new ATOM 0 HG22 THR A 22 36.768 16.550 11.720 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.925 17.331 10.617 1.00 0.00 H new ATOM 353 N ILE A 23 35.359 20.389 13.541 1.00 0.00 N ATOM 354 CA ILE A 23 35.026 21.572 14.326 1.00 0.00 C ATOM 355 C ILE A 23 36.310 22.270 14.761 1.00 0.00 C ATOM 356 O ILE A 23 36.467 23.476 14.568 1.00 0.00 O ATOM 357 CB ILE A 23 34.186 21.184 15.547 1.00 0.00 C ATOM 358 CG1 ILE A 23 33.090 20.198 15.125 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.535 22.430 16.148 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.378 20.705 13.863 1.00 0.00 C ATOM 0 H ILE A 23 35.163 19.498 13.997 1.00 0.00 H new ATOM 0 HA ILE A 23 34.438 22.255 13.713 1.00 0.00 H new ATOM 0 HB ILE A 23 34.834 20.719 16.290 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.526 19.217 14.936 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.369 20.076 15.934 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.939 22.147 17.016 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.309 23.134 16.454 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.892 22.899 15.404 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.602 19.996 13.573 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.925 21.676 14.066 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.100 20.804 13.053 1.00 0.00 H new ATOM 372 N GLU A 24 37.242 21.503 15.325 1.00 0.00 N ATOM 373 CA GLU A 24 38.519 22.069 15.756 1.00 0.00 C ATOM 374 C GLU A 24 39.061 23.002 14.679 1.00 0.00 C ATOM 375 O GLU A 24 39.815 23.935 14.961 1.00 0.00 O ATOM 376 CB GLU A 24 39.530 20.953 16.021 1.00 0.00 C ATOM 377 CG GLU A 24 38.872 19.844 16.842 1.00 0.00 C ATOM 378 CD GLU A 24 38.228 20.431 18.094 1.00 0.00 C ATOM 379 OE1 GLU A 24 37.137 20.966 17.980 1.00 0.00 O ATOM 380 OE2 GLU A 24 38.835 20.339 19.148 1.00 0.00 O ATOM 0 H GLU A 24 37.140 20.502 15.492 1.00 0.00 H new ATOM 0 HA GLU A 24 38.360 22.631 16.677 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.897 20.550 15.077 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.393 21.351 16.555 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.119 19.334 16.241 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.616 19.098 17.122 1.00 0.00 H new ATOM 387 N ASN A 25 38.636 22.759 13.444 1.00 0.00 N ATOM 388 CA ASN A 25 39.055 23.599 12.331 1.00 0.00 C ATOM 389 C ASN A 25 38.281 24.908 12.368 1.00 0.00 C ATOM 390 O ASN A 25 38.866 25.981 12.515 1.00 0.00 O ATOM 391 CB ASN A 25 38.811 22.894 10.995 1.00 0.00 C ATOM 392 CG ASN A 25 39.563 23.619 9.882 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.050 24.698 9.356 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 40.647 23.192 9.484 1.00 0.00 N flip ATOM 0 H ASN A 25 38.009 21.996 13.191 1.00 0.00 H new ATOM 0 HA ASN A 25 40.123 23.797 12.425 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.142 21.857 11.055 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.744 22.875 10.773 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.046 22.349 9.897 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.146 23.682 8.742 1.00 0.00 H new ATOM 401 N VAL A 26 36.961 24.815 12.223 1.00 0.00 N ATOM 402 CA VAL A 26 36.116 26.004 12.242 1.00 0.00 C ATOM 403 C VAL A 26 36.482 26.892 13.418 1.00 0.00 C ATOM 404 O VAL A 26 36.294 28.110 13.384 1.00 0.00 O ATOM 405 CB VAL A 26 34.650 25.597 12.342 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.769 26.842 12.438 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.283 24.804 11.101 1.00 0.00 C ATOM 0 H VAL A 26 36.458 23.937 12.092 1.00 0.00 H new ATOM 0 HA VAL A 26 36.274 26.560 11.318 1.00 0.00 H new ATOM 0 HB VAL A 26 34.494 24.989 13.233 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.723 26.543 12.509 1.00 0.00 H new ATOM 0 HG12 VAL A 26 34.044 27.415 13.324 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.911 27.457 11.550 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.236 24.505 11.157 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.437 25.421 10.216 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.911 23.916 11.038 1.00 0.00 H new ATOM 417 N LYS A 27 37.021 26.269 14.449 1.00 0.00 N ATOM 418 CA LYS A 27 37.437 26.996 15.638 1.00 0.00 C ATOM 419 C LYS A 27 38.680 27.807 15.329 1.00 0.00 C ATOM 420 O LYS A 27 38.747 29.003 15.607 1.00 0.00 O ATOM 421 CB LYS A 27 37.736 26.013 16.774 1.00 0.00 C ATOM 422 CG LYS A 27 36.434 25.352 17.251 1.00 0.00 C ATOM 423 CD LYS A 27 36.623 24.781 18.659 1.00 0.00 C ATOM 424 CE LYS A 27 35.284 24.260 19.181 1.00 0.00 C ATOM 425 NZ LYS A 27 34.323 25.394 19.293 1.00 0.00 N ATOM 0 H LYS A 27 37.182 25.263 14.489 1.00 0.00 H new ATOM 0 HA LYS A 27 36.633 27.665 15.946 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.437 25.251 16.432 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.213 26.536 17.603 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.625 26.082 17.251 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.146 24.557 16.563 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.357 23.975 18.641 1.00 0.00 H new ATOM 0 HD3 LYS A 27 37.011 25.551 19.326 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.889 23.499 18.507 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.419 23.786 20.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.439 25.059 19.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.737 26.143 19.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.121 25.773 18.346 1.00 0.00 H new ATOM 439 N ALA A 28 39.658 27.137 14.745 1.00 0.00 N ATOM 440 CA ALA A 28 40.908 27.788 14.390 1.00 0.00 C ATOM 441 C ALA A 28 40.649 29.042 13.558 1.00 0.00 C ATOM 442 O ALA A 28 41.385 30.023 13.660 1.00 0.00 O ATOM 443 CB ALA A 28 41.774 26.813 13.591 1.00 0.00 C ATOM 0 H ALA A 28 39.612 26.146 14.507 1.00 0.00 H new ATOM 0 HA ALA A 28 41.423 28.082 15.305 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.713 27.297 13.322 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.981 25.930 14.196 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.246 26.516 12.685 1.00 0.00 H new ATOM 449 N LYS A 29 39.592 29.008 12.750 1.00 0.00 N ATOM 450 CA LYS A 29 39.248 30.160 11.928 1.00 0.00 C ATOM 451 C LYS A 29 38.748 31.310 12.806 1.00 0.00 C ATOM 452 O LYS A 29 39.367 32.372 12.866 1.00 0.00 O ATOM 453 CB LYS A 29 38.186 29.776 10.893 1.00 0.00 C ATOM 454 CG LYS A 29 38.859 29.068 9.709 1.00 0.00 C ATOM 455 CD LYS A 29 37.815 28.297 8.913 1.00 0.00 C ATOM 456 CE LYS A 29 38.500 27.511 7.791 1.00 0.00 C ATOM 457 NZ LYS A 29 39.012 28.461 6.762 1.00 0.00 N ATOM 0 H LYS A 29 38.969 28.207 12.649 1.00 0.00 H new ATOM 0 HA LYS A 29 40.142 30.491 11.400 1.00 0.00 H new ATOM 0 HB2 LYS A 29 37.441 29.122 11.346 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.661 30.666 10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 29 39.352 29.799 9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.631 28.388 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.273 27.616 9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 29 37.082 28.986 8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.321 26.919 8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.796 26.813 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.261 27.937 5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.277 29.163 6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.856 28.947 7.127 1.00 0.00 H new ATOM 471 N ILE A 30 37.615 31.092 13.467 1.00 0.00 N ATOM 472 CA ILE A 30 37.024 32.103 14.322 1.00 0.00 C ATOM 473 C ILE A 30 38.059 32.677 15.296 1.00 0.00 C ATOM 474 O ILE A 30 38.040 33.869 15.593 1.00 0.00 O ATOM 475 CB ILE A 30 35.855 31.471 15.090 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.678 31.240 14.135 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.407 32.399 16.217 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.647 30.328 14.803 1.00 0.00 C ATOM 0 H ILE A 30 37.090 30.219 13.423 1.00 0.00 H new ATOM 0 HA ILE A 30 36.663 32.928 13.708 1.00 0.00 H new ATOM 0 HB ILE A 30 36.183 30.521 15.511 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.219 32.192 13.870 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.032 30.788 13.208 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.577 31.942 16.756 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.238 32.566 16.903 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.086 33.352 15.797 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.811 30.165 14.123 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.110 29.371 15.045 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.284 30.797 15.718 1.00 0.00 H new ATOM 490 N GLN A 31 38.948 31.824 15.794 1.00 0.00 N ATOM 491 CA GLN A 31 39.970 32.272 16.738 1.00 0.00 C ATOM 492 C GLN A 31 40.907 33.276 16.074 1.00 0.00 C ATOM 493 O GLN A 31 41.049 34.411 16.527 1.00 0.00 O ATOM 494 CB GLN A 31 40.782 31.077 17.243 1.00 0.00 C ATOM 495 CG GLN A 31 41.696 31.525 18.387 1.00 0.00 C ATOM 496 CD GLN A 31 42.509 30.342 18.901 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.560 29.241 18.202 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 43.117 30.422 19.970 1.00 0.00 N flip ATOM 0 H GLN A 31 38.984 30.831 15.565 1.00 0.00 H new ATOM 0 HA GLN A 31 39.471 32.753 17.579 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.113 30.288 17.586 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.377 30.659 16.431 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.365 32.313 18.041 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.099 31.945 19.196 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.077 31.282 20.516 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.660 29.628 20.308 1.00 0.00 H new ATOM 507 N ASP A 32 41.546 32.834 15.006 1.00 0.00 N ATOM 508 CA ASP A 32 42.484 33.682 14.283 1.00 0.00 C ATOM 509 C ASP A 32 41.859 35.027 13.894 1.00 0.00 C ATOM 510 O ASP A 32 42.525 36.061 13.950 1.00 0.00 O ATOM 511 CB ASP A 32 42.980 32.960 13.027 1.00 0.00 C ATOM 512 CG ASP A 32 44.022 33.815 12.312 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.835 34.418 12.993 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.993 33.853 11.093 1.00 0.00 O ATOM 0 H ASP A 32 41.435 31.897 14.619 1.00 0.00 H new ATOM 0 HA ASP A 32 43.323 33.885 14.949 1.00 0.00 H new ATOM 0 HB2 ASP A 32 43.412 31.996 13.298 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.143 32.758 12.359 1.00 0.00 H new ATOM 519 N LYS A 33 40.593 35.013 13.474 1.00 0.00 N ATOM 520 CA LYS A 33 39.927 36.250 13.050 1.00 0.00 C ATOM 521 C LYS A 33 39.426 37.109 14.221 1.00 0.00 C ATOM 522 O LYS A 33 39.557 38.333 14.187 1.00 0.00 O ATOM 523 CB LYS A 33 38.740 35.926 12.146 1.00 0.00 C ATOM 524 CG LYS A 33 39.198 35.085 10.953 1.00 0.00 C ATOM 525 CD LYS A 33 37.970 34.612 10.170 1.00 0.00 C ATOM 526 CE LYS A 33 38.405 34.033 8.822 1.00 0.00 C ATOM 527 NZ LYS A 33 39.414 32.960 9.043 1.00 0.00 N ATOM 0 H LYS A 33 40.014 34.175 13.418 1.00 0.00 H new ATOM 0 HA LYS A 33 40.682 36.827 12.516 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.980 35.386 12.711 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.279 36.849 11.794 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.851 35.672 10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.777 34.228 11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.431 33.858 10.743 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.284 35.445 10.014 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.542 33.631 8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.826 34.819 8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.496 32.379 8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 40.336 33.390 9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.115 32.361 9.839 1.00 0.00 H new ATOM 541 N GLU A 34 38.809 36.486 15.233 1.00 0.00 N ATOM 542 CA GLU A 34 38.251 37.245 16.368 1.00 0.00 C ATOM 543 C GLU A 34 39.121 37.171 17.623 1.00 0.00 C ATOM 544 O GLU A 34 38.789 37.781 18.639 1.00 0.00 O ATOM 545 CB GLU A 34 36.854 36.715 16.705 1.00 0.00 C ATOM 546 CG GLU A 34 35.986 36.694 15.444 1.00 0.00 C ATOM 547 CD GLU A 34 35.859 38.102 14.873 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.528 39.000 15.629 1.00 0.00 O ATOM 549 OE2 GLU A 34 36.098 38.262 13.686 1.00 0.00 O ATOM 0 H GLU A 34 38.683 35.476 15.293 1.00 0.00 H new ATOM 0 HA GLU A 34 38.210 38.289 16.056 1.00 0.00 H new ATOM 0 HB2 GLU A 34 36.928 35.711 17.123 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.391 37.344 17.465 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.427 36.030 14.701 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.998 36.298 15.679 1.00 0.00 H new ATOM 556 N GLY A 35 40.246 36.476 17.556 1.00 0.00 N ATOM 557 CA GLY A 35 41.142 36.396 18.706 1.00 0.00 C ATOM 558 C GLY A 35 40.452 35.855 19.963 1.00 0.00 C ATOM 559 O GLY A 35 40.897 36.126 21.079 1.00 0.00 O ATOM 0 H GLY A 35 40.560 35.965 16.731 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.988 35.755 18.457 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.544 37.387 18.916 1.00 0.00 H new ATOM 563 N ILE A 36 39.372 35.092 19.790 1.00 0.00 N ATOM 564 CA ILE A 36 38.651 34.525 20.925 1.00 0.00 C ATOM 565 C ILE A 36 39.136 33.093 21.217 1.00 0.00 C ATOM 566 O ILE A 36 38.873 32.188 20.425 1.00 0.00 O ATOM 567 CB ILE A 36 37.164 34.491 20.592 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.720 35.912 20.251 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.379 33.976 21.800 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.225 35.933 19.973 1.00 0.00 C ATOM 0 H ILE A 36 38.980 34.854 18.879 1.00 0.00 H new ATOM 0 HA ILE A 36 38.833 35.141 21.806 1.00 0.00 H new ATOM 0 HB ILE A 36 36.979 33.828 19.747 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.955 36.584 21.076 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.266 36.274 19.380 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.316 33.952 21.560 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.717 32.971 22.052 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.544 34.638 22.650 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.914 36.949 19.730 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.002 35.275 19.133 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.686 35.590 20.856 1.00 0.00 H new ATOM 582 N PRO A 37 39.812 32.847 22.325 1.00 0.00 N ATOM 583 CA PRO A 37 40.289 31.469 22.674 1.00 0.00 C ATOM 584 C PRO A 37 39.184 30.418 22.488 1.00 0.00 C ATOM 585 O PRO A 37 38.000 30.752 22.513 1.00 0.00 O ATOM 586 CB PRO A 37 40.689 31.597 24.150 1.00 0.00 C ATOM 587 CG PRO A 37 41.102 33.024 24.307 1.00 0.00 C ATOM 588 CD PRO A 37 40.208 33.830 23.357 1.00 0.00 C ATOM 0 HA PRO A 37 41.106 31.134 22.035 1.00 0.00 H new ATOM 0 HB2 PRO A 37 39.856 31.351 24.809 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.505 30.919 24.400 1.00 0.00 H new ATOM 0 HG2 PRO A 37 40.975 33.356 25.338 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.155 33.155 24.057 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.340 34.238 23.875 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.745 34.673 22.921 1.00 0.00 H new ATOM 596 N PRO A 38 39.542 29.166 22.301 1.00 0.00 N ATOM 597 CA PRO A 38 38.547 28.063 22.107 1.00 0.00 C ATOM 598 C PRO A 38 37.740 27.763 23.373 1.00 0.00 C ATOM 599 O PRO A 38 36.519 27.629 23.321 1.00 0.00 O ATOM 600 CB PRO A 38 39.416 26.866 21.701 1.00 0.00 C ATOM 601 CG PRO A 38 40.734 27.142 22.332 1.00 0.00 C ATOM 602 CD PRO A 38 40.923 28.655 22.251 1.00 0.00 C ATOM 0 HA PRO A 38 37.792 28.321 21.365 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.992 25.927 22.058 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.502 26.786 20.617 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.752 26.800 23.367 1.00 0.00 H new ATOM 0 HG3 PRO A 38 41.535 26.619 21.810 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.523 29.032 23.080 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.429 28.950 21.332 1.00 0.00 H new ATOM 610 N ASP A 39 38.429 27.649 24.505 1.00 0.00 N ATOM 611 CA ASP A 39 37.754 27.350 25.766 1.00 0.00 C ATOM 612 C ASP A 39 36.832 28.493 26.173 1.00 0.00 C ATOM 613 O ASP A 39 35.904 28.303 26.959 1.00 0.00 O ATOM 614 CB ASP A 39 38.786 27.110 26.871 1.00 0.00 C ATOM 615 CG ASP A 39 39.705 25.956 26.485 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.202 24.971 25.971 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.898 26.075 26.709 1.00 0.00 O ATOM 0 H ASP A 39 39.441 27.757 24.577 1.00 0.00 H new ATOM 0 HA ASP A 39 37.155 26.450 25.624 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.373 28.014 27.034 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.280 26.884 27.810 1.00 0.00 H new ATOM 622 N GLN A 40 37.106 29.683 25.653 1.00 0.00 N ATOM 623 CA GLN A 40 36.305 30.855 25.994 1.00 0.00 C ATOM 624 C GLN A 40 35.007 30.901 25.195 1.00 0.00 C ATOM 625 O GLN A 40 34.043 31.543 25.615 1.00 0.00 O ATOM 626 CB GLN A 40 37.100 32.134 25.722 1.00 0.00 C ATOM 627 CG GLN A 40 38.221 32.265 26.754 1.00 0.00 C ATOM 628 CD GLN A 40 37.644 32.677 28.105 1.00 0.00 C ATOM 629 OE1 GLN A 40 37.607 31.872 29.035 1.00 0.00 O ATOM 630 NE2 GLN A 40 37.192 33.891 28.270 1.00 0.00 N ATOM 0 H GLN A 40 37.869 29.863 25.000 1.00 0.00 H new ATOM 0 HA GLN A 40 36.059 30.783 27.054 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.518 32.108 24.716 1.00 0.00 H new ATOM 0 HB3 GLN A 40 36.442 33.002 25.771 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.750 31.317 26.850 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.949 33.004 26.420 1.00 0.00 H new ATOM 0 HE21 GLN A 40 37.224 34.556 27.498 1.00 0.00 H new ATOM 0 HE22 GLN A 40 36.807 34.174 29.171 1.00 0.00 H new ATOM 639 N GLN A 41 34.978 30.230 24.040 1.00 0.00 N ATOM 640 CA GLN A 41 33.787 30.222 23.192 1.00 0.00 C ATOM 641 C GLN A 41 33.135 28.843 23.140 1.00 0.00 C ATOM 642 O GLN A 41 33.797 27.815 23.284 1.00 0.00 O ATOM 643 CB GLN A 41 34.173 30.646 21.776 1.00 0.00 C ATOM 644 CG GLN A 41 35.210 29.673 21.211 1.00 0.00 C ATOM 645 CD GLN A 41 35.708 30.171 19.858 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.693 31.373 19.594 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.152 29.313 18.979 1.00 0.00 N ATOM 0 H GLN A 41 35.761 29.689 23.674 1.00 0.00 H new ATOM 0 HA GLN A 41 33.067 30.920 23.620 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.290 30.662 21.137 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.578 31.658 21.787 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.047 29.577 21.903 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.770 28.681 21.104 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.164 28.317 19.199 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.487 29.639 18.072 1.00 0.00 H new ATOM 656 N ARG A 42 31.824 28.850 22.912 1.00 0.00 N ATOM 657 CA ARG A 42 31.032 27.627 22.803 1.00 0.00 C ATOM 658 C ARG A 42 30.166 27.745 21.559 1.00 0.00 C ATOM 659 O ARG A 42 29.525 28.774 21.346 1.00 0.00 O ATOM 660 CB ARG A 42 30.147 27.454 24.046 1.00 0.00 C ATOM 661 CG ARG A 42 30.989 26.969 25.243 1.00 0.00 C ATOM 662 CD ARG A 42 31.092 25.439 25.232 1.00 0.00 C ATOM 663 NE ARG A 42 31.892 24.978 26.361 1.00 0.00 N ATOM 664 CZ ARG A 42 31.357 24.829 27.569 1.00 0.00 C ATOM 665 NH1 ARG A 42 32.091 24.405 28.560 1.00 0.00 N ATOM 666 NH2 ARG A 42 30.098 25.110 27.763 1.00 0.00 N ATOM 0 H ARG A 42 31.280 29.705 22.797 1.00 0.00 H new ATOM 0 HA ARG A 42 31.686 26.758 22.732 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.666 28.400 24.292 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.353 26.737 23.838 1.00 0.00 H new ATOM 0 HG2 ARG A 42 31.986 27.408 25.198 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.535 27.304 26.176 1.00 0.00 H new ATOM 0 HD2 ARG A 42 30.095 25.000 25.280 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.543 25.105 24.297 1.00 0.00 H new ATOM 0 HE ARG A 42 32.880 24.766 26.221 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.076 24.188 28.409 1.00 0.00 H new ATOM 0 HH12 ARG A 42 31.680 24.291 29.487 1.00 0.00 H new ATOM 0 HH21 ARG A 42 29.525 25.444 26.988 1.00 0.00 H new ATOM 0 HH22 ARG A 42 29.687 24.996 28.689 1.00 0.00 H new ATOM 680 N LEU A 43 30.147 26.709 20.726 1.00 0.00 N ATOM 681 CA LEU A 43 29.353 26.753 19.498 1.00 0.00 C ATOM 682 C LEU A 43 27.978 26.136 19.703 1.00 0.00 C ATOM 683 O LEU A 43 27.849 24.941 19.993 1.00 0.00 O ATOM 684 CB LEU A 43 30.075 26.003 18.384 1.00 0.00 C ATOM 685 CG LEU A 43 31.517 26.490 18.245 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.108 25.890 16.973 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.561 28.019 18.149 1.00 0.00 C ATOM 0 H LEU A 43 30.662 25.841 20.873 1.00 0.00 H new ATOM 0 HA LEU A 43 29.226 27.800 19.223 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.067 24.934 18.595 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.546 26.146 17.442 1.00 0.00 H new ATOM 0 HG LEU A 43 32.089 26.180 19.119 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.138 26.227 16.856 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.087 24.802 17.040 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.522 26.212 16.112 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.596 28.348 18.051 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.992 28.345 17.278 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.127 28.453 19.050 1.00 0.00 H new ATOM 699 N ILE A 44 26.950 26.965 19.538 1.00 0.00 N ATOM 700 CA ILE A 44 25.560 26.523 19.702 1.00 0.00 C ATOM 701 C ILE A 44 24.802 26.535 18.373 1.00 0.00 C ATOM 702 O ILE A 44 24.682 27.577 17.720 1.00 0.00 O ATOM 703 CB ILE A 44 24.837 27.448 20.689 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.646 27.574 21.989 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.447 26.887 21.002 1.00 0.00 C ATOM 706 CD1 ILE A 44 25.973 26.189 22.562 1.00 0.00 C ATOM 0 H ILE A 44 27.050 27.949 19.290 1.00 0.00 H new ATOM 0 HA ILE A 44 25.582 25.501 20.080 1.00 0.00 H new ATOM 0 HB ILE A 44 24.737 28.435 20.236 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.569 28.121 21.797 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.080 28.151 22.720 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.938 27.548 21.704 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.867 26.818 20.082 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.546 25.895 21.444 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.546 26.302 23.482 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.047 25.655 22.775 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.559 25.624 21.837 1.00 0.00 H new ATOM 718 N PHE A 45 24.269 25.368 17.996 1.00 0.00 N ATOM 719 CA PHE A 45 23.494 25.234 16.763 1.00 0.00 C ATOM 720 C PHE A 45 22.301 24.318 17.007 1.00 0.00 C ATOM 721 O PHE A 45 22.464 23.174 17.429 1.00 0.00 O ATOM 722 CB PHE A 45 24.369 24.640 15.659 1.00 0.00 C ATOM 723 CG PHE A 45 23.639 24.694 14.340 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.872 25.746 13.449 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.738 23.679 14.006 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.204 25.782 12.218 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.066 23.714 12.777 1.00 0.00 C ATOM 728 CZ PHE A 45 22.300 24.766 11.883 1.00 0.00 C ATOM 0 H PHE A 45 24.362 24.503 18.529 1.00 0.00 H new ATOM 0 HA PHE A 45 23.144 26.219 16.455 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.306 25.193 15.589 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.625 23.608 15.901 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.567 26.531 13.710 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.560 22.867 14.696 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.386 26.593 11.528 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.369 22.931 12.520 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.783 24.794 10.935 1.00 0.00 H new ATOM 738 N ALA A 46 21.101 24.827 16.751 1.00 0.00 N ATOM 739 CA ALA A 46 19.888 24.040 16.953 1.00 0.00 C ATOM 740 C ALA A 46 19.812 23.516 18.388 1.00 0.00 C ATOM 741 O ALA A 46 19.312 22.417 18.631 1.00 0.00 O ATOM 742 CB ALA A 46 19.867 22.864 15.977 1.00 0.00 C ATOM 0 H ALA A 46 20.941 25.773 16.406 1.00 0.00 H new ATOM 0 HA ALA A 46 19.027 24.683 16.772 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.960 22.279 16.131 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.887 23.240 14.954 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.739 22.233 16.149 1.00 0.00 H new ATOM 748 N GLY A 47 20.303 24.311 19.332 1.00 0.00 N ATOM 749 CA GLY A 47 20.277 23.925 20.742 1.00 0.00 C ATOM 750 C GLY A 47 21.178 22.718 21.024 1.00 0.00 C ATOM 751 O GLY A 47 21.039 22.067 22.058 1.00 0.00 O ATOM 0 H GLY A 47 20.722 25.223 19.150 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.598 24.768 21.354 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.254 23.690 21.035 1.00 0.00 H new ATOM 755 N LYS A 48 22.114 22.432 20.114 1.00 0.00 N ATOM 756 CA LYS A 48 23.043 21.305 20.293 1.00 0.00 C ATOM 757 C LYS A 48 24.487 21.790 20.233 1.00 0.00 C ATOM 758 O LYS A 48 24.885 22.445 19.265 1.00 0.00 O ATOM 759 CB LYS A 48 22.832 20.267 19.195 1.00 0.00 C ATOM 760 CG LYS A 48 21.429 19.665 19.303 1.00 0.00 C ATOM 761 CD LYS A 48 21.243 18.604 18.214 1.00 0.00 C ATOM 762 CE LYS A 48 19.880 17.933 18.380 1.00 0.00 C ATOM 763 NZ LYS A 48 18.806 18.891 17.992 1.00 0.00 N ATOM 0 H LYS A 48 22.251 22.959 19.251 1.00 0.00 H new ATOM 0 HA LYS A 48 22.846 20.858 21.268 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.963 20.729 18.217 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.581 19.480 19.279 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.288 19.219 20.288 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.677 20.447 19.196 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.316 19.063 17.228 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.036 17.859 18.278 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.825 17.038 17.761 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.743 17.615 19.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.899 18.387 17.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.733 19.640 18.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.036 19.316 17.071 1.00 0.00 H new ATOM 777 N GLN A 49 25.279 21.457 21.254 1.00 0.00 N ATOM 778 CA GLN A 49 26.674 21.856 21.271 1.00 0.00 C ATOM 779 C GLN A 49 27.475 20.998 20.305 1.00 0.00 C ATOM 780 O GLN A 49 27.354 19.773 20.304 1.00 0.00 O ATOM 781 CB GLN A 49 27.254 21.716 22.671 1.00 0.00 C ATOM 782 CG GLN A 49 26.632 22.767 23.590 1.00 0.00 C ATOM 783 CD GLN A 49 27.202 22.635 24.997 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.000 21.641 25.278 1.00 0.00 O flip ATOM 785 NE2 GLN A 49 26.914 23.459 25.865 1.00 0.00 N flip ATOM 0 H GLN A 49 24.977 20.919 22.066 1.00 0.00 H new ATOM 0 HA GLN A 49 26.734 22.900 20.965 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.057 20.717 23.059 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.337 21.839 22.641 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.831 23.765 23.201 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.549 22.645 23.615 1.00 0.00 H new ATOM 0 HE21 GLN A 49 26.290 24.235 25.644 1.00 0.00 H new ATOM 0 HE22 GLN A 49 27.299 23.365 26.805 1.00 0.00 H new ATOM 794 N LEU A 50 28.268 21.644 19.464 1.00 0.00 N ATOM 795 CA LEU A 50 29.051 20.915 18.478 1.00 0.00 C ATOM 796 C LEU A 50 30.151 20.100 19.154 1.00 0.00 C ATOM 797 O LEU A 50 30.831 20.580 20.061 1.00 0.00 O ATOM 798 CB LEU A 50 29.656 21.894 17.472 1.00 0.00 C ATOM 799 CG LEU A 50 28.578 22.351 16.478 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.402 22.985 17.227 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.175 23.378 15.514 1.00 0.00 C ATOM 0 H LEU A 50 28.386 22.657 19.443 1.00 0.00 H new ATOM 0 HA LEU A 50 28.393 20.223 17.952 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.071 22.756 17.994 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.478 21.419 16.938 1.00 0.00 H new ATOM 0 HG LEU A 50 28.221 21.484 15.921 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.645 23.305 16.511 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.970 22.254 17.911 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.754 23.848 17.793 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.410 23.702 14.808 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.537 24.238 16.077 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.004 22.926 14.968 1.00 0.00 H new ATOM 813 N GLU A 51 30.305 18.855 18.704 1.00 0.00 N ATOM 814 CA GLU A 51 31.301 17.952 19.255 1.00 0.00 C ATOM 815 C GLU A 51 32.717 18.394 18.880 1.00 0.00 C ATOM 816 O GLU A 51 32.982 18.768 17.734 1.00 0.00 O ATOM 817 CB GLU A 51 31.043 16.534 18.742 1.00 0.00 C ATOM 818 CG GLU A 51 31.681 15.518 19.681 1.00 0.00 C ATOM 819 CD GLU A 51 31.753 14.156 18.997 1.00 0.00 C ATOM 820 OE1 GLU A 51 30.707 13.647 18.628 1.00 0.00 O ATOM 821 OE2 GLU A 51 32.850 13.642 18.855 1.00 0.00 O ATOM 0 H GLU A 51 29.745 18.451 17.953 1.00 0.00 H new ATOM 0 HA GLU A 51 31.220 17.971 20.342 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.970 16.353 18.671 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.452 16.421 17.738 1.00 0.00 H new ATOM 0 HG2 GLU A 51 32.681 15.847 19.962 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.100 15.443 20.600 1.00 0.00 H new ATOM 828 N ASP A 52 33.613 18.351 19.861 1.00 0.00 N ATOM 829 CA ASP A 52 34.994 18.756 19.658 1.00 0.00 C ATOM 830 C ASP A 52 35.724 17.908 18.609 1.00 0.00 C ATOM 831 O ASP A 52 36.954 17.954 18.541 1.00 0.00 O ATOM 832 CB ASP A 52 35.752 18.659 20.985 1.00 0.00 C ATOM 833 CG ASP A 52 35.141 19.607 22.010 1.00 0.00 C ATOM 834 OD1 ASP A 52 34.761 20.700 21.623 1.00 0.00 O ATOM 835 OD2 ASP A 52 35.063 19.228 23.167 1.00 0.00 O ATOM 0 H ASP A 52 33.403 18.037 20.809 1.00 0.00 H new ATOM 0 HA ASP A 52 34.970 19.781 19.289 1.00 0.00 H new ATOM 0 HB2 ASP A 52 35.716 17.636 21.359 1.00 0.00 H new ATOM 0 HB3 ASP A 52 36.802 18.906 20.831 1.00 0.00 H new ATOM 840 N GLY A 53 35.001 17.129 17.797 1.00 0.00 N ATOM 841 CA GLY A 53 35.682 16.298 16.796 1.00 0.00 C ATOM 842 C GLY A 53 34.759 15.791 15.684 1.00 0.00 C ATOM 843 O GLY A 53 35.042 14.755 15.078 1.00 0.00 O ATOM 0 H GLY A 53 33.984 17.055 17.808 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.492 16.874 16.349 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.137 15.443 17.296 1.00 0.00 H new ATOM 847 N ARG A 54 33.670 16.509 15.395 1.00 0.00 N ATOM 848 CA ARG A 54 32.747 16.084 14.324 1.00 0.00 C ATOM 849 C ARG A 54 32.947 16.920 13.058 1.00 0.00 C ATOM 850 O ARG A 54 33.662 17.924 13.062 1.00 0.00 O ATOM 851 CB ARG A 54 31.286 16.205 14.799 1.00 0.00 C ATOM 852 CG ARG A 54 30.894 14.970 15.638 1.00 0.00 C ATOM 853 CD ARG A 54 30.384 13.840 14.732 1.00 0.00 C ATOM 854 NE ARG A 54 30.084 12.656 15.532 1.00 0.00 N ATOM 855 CZ ARG A 54 29.593 11.555 14.974 1.00 0.00 C ATOM 856 NH1 ARG A 54 29.340 10.507 15.711 1.00 0.00 N ATOM 857 NH2 ARG A 54 29.356 11.522 13.691 1.00 0.00 N ATOM 0 H ARG A 54 33.404 17.370 15.873 1.00 0.00 H new ATOM 0 HA ARG A 54 32.966 15.043 14.089 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.163 17.111 15.393 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.623 16.295 13.939 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.755 14.624 16.210 1.00 0.00 H new ATOM 0 HG3 ARG A 54 30.122 15.243 16.358 1.00 0.00 H new ATOM 0 HD2 ARG A 54 29.490 14.165 14.199 1.00 0.00 H new ATOM 0 HD3 ARG A 54 31.134 13.600 13.979 1.00 0.00 H new ATOM 0 HE ARG A 54 30.255 12.675 16.537 1.00 0.00 H new ATOM 0 HH11 ARG A 54 29.519 10.534 16.715 1.00 0.00 H new ATOM 0 HH12 ARG A 54 28.963 9.661 15.283 1.00 0.00 H new ATOM 0 HH21 ARG A 54 29.548 12.342 13.116 1.00 0.00 H new ATOM 0 HH22 ARG A 54 28.979 10.676 13.264 1.00 0.00 H new ATOM 871 N THR A 55 32.298 16.484 11.975 1.00 0.00 N ATOM 872 CA THR A 55 32.379 17.178 10.689 1.00 0.00 C ATOM 873 C THR A 55 31.085 17.936 10.420 1.00 0.00 C ATOM 874 O THR A 55 30.004 17.526 10.862 1.00 0.00 O ATOM 875 CB THR A 55 32.617 16.167 9.563 1.00 0.00 C ATOM 876 OG1 THR A 55 31.545 15.233 9.536 1.00 0.00 O ATOM 877 CG2 THR A 55 33.935 15.428 9.808 1.00 0.00 C ATOM 0 H THR A 55 31.709 15.651 11.964 1.00 0.00 H new ATOM 0 HA THR A 55 33.209 17.883 10.725 1.00 0.00 H new ATOM 0 HB THR A 55 32.670 16.690 8.608 1.00 0.00 H new ATOM 0 HG1 THR A 55 31.693 14.585 8.816 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.103 14.709 9.006 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.756 16.145 9.830 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.886 14.903 10.762 1.00 0.00 H new ATOM 885 N LEU A 56 31.180 19.032 9.675 1.00 0.00 N ATOM 886 CA LEU A 56 29.992 19.795 9.354 1.00 0.00 C ATOM 887 C LEU A 56 28.985 18.891 8.657 1.00 0.00 C ATOM 888 O LEU A 56 27.784 19.024 8.864 1.00 0.00 O ATOM 889 CB LEU A 56 30.355 20.986 8.463 1.00 0.00 C ATOM 890 CG LEU A 56 30.992 22.103 9.307 1.00 0.00 C ATOM 891 CD1 LEU A 56 32.380 21.667 9.799 1.00 0.00 C ATOM 892 CD2 LEU A 56 31.128 23.358 8.444 1.00 0.00 C ATOM 0 H LEU A 56 32.050 19.402 9.292 1.00 0.00 H new ATOM 0 HA LEU A 56 29.548 20.180 10.272 1.00 0.00 H new ATOM 0 HB2 LEU A 56 31.047 20.669 7.683 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.462 21.362 7.963 1.00 0.00 H new ATOM 0 HG LEU A 56 30.361 22.310 10.172 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.822 22.465 10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.284 20.769 10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 56 33.020 21.457 8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.579 24.157 9.032 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.760 23.141 7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 56 30.142 23.672 8.101 1.00 0.00 H new ATOM 904 N SER A 57 29.474 17.979 7.808 1.00 0.00 N ATOM 905 CA SER A 57 28.589 17.076 7.077 1.00 0.00 C ATOM 906 C SER A 57 27.558 16.434 8.000 1.00 0.00 C ATOM 907 O SER A 57 26.381 16.300 7.635 1.00 0.00 O ATOM 908 CB SER A 57 29.413 15.977 6.405 1.00 0.00 C ATOM 909 OG SER A 57 30.236 16.554 5.401 1.00 0.00 O ATOM 0 H SER A 57 30.467 17.850 7.614 1.00 0.00 H new ATOM 0 HA SER A 57 28.060 17.663 6.326 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.028 15.464 7.145 1.00 0.00 H new ATOM 0 HB3 SER A 57 28.753 15.229 5.965 1.00 0.00 H new ATOM 0 HG SER A 57 30.885 17.159 5.818 1.00 0.00 H new ATOM 915 N ASP A 58 27.984 16.078 9.208 1.00 0.00 N ATOM 916 CA ASP A 58 27.065 15.490 10.166 1.00 0.00 C ATOM 917 C ASP A 58 25.986 16.508 10.488 1.00 0.00 C ATOM 918 O ASP A 58 24.808 16.174 10.648 1.00 0.00 O ATOM 919 CB ASP A 58 27.809 15.089 11.446 1.00 0.00 C ATOM 920 CG ASP A 58 28.718 13.892 11.180 1.00 0.00 C ATOM 921 OD1 ASP A 58 28.370 13.082 10.337 1.00 0.00 O ATOM 922 OD2 ASP A 58 29.751 13.803 11.825 1.00 0.00 O ATOM 0 H ASP A 58 28.943 16.185 9.539 1.00 0.00 H new ATOM 0 HA ASP A 58 26.616 14.593 9.740 1.00 0.00 H new ATOM 0 HB2 ASP A 58 28.401 15.929 11.809 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.092 14.842 12.229 1.00 0.00 H new ATOM 927 N TYR A 59 26.415 17.765 10.570 1.00 0.00 N ATOM 928 CA TYR A 59 25.510 18.869 10.865 1.00 0.00 C ATOM 929 C TYR A 59 24.850 19.410 9.590 1.00 0.00 C ATOM 930 O TYR A 59 24.015 20.313 9.654 1.00 0.00 O ATOM 931 CB TYR A 59 26.292 19.986 11.556 1.00 0.00 C ATOM 932 CG TYR A 59 26.713 19.536 12.940 1.00 0.00 C ATOM 933 CD1 TYR A 59 28.065 19.299 13.220 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.751 19.359 13.946 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.455 18.884 14.498 1.00 0.00 C ATOM 936 CE2 TYR A 59 26.143 18.943 15.225 1.00 0.00 C ATOM 937 CZ TYR A 59 27.495 18.706 15.500 1.00 0.00 C ATOM 938 OH TYR A 59 27.881 18.295 16.759 1.00 0.00 O ATOM 0 H TYR A 59 27.387 18.043 10.436 1.00 0.00 H new ATOM 0 HA TYR A 59 24.719 18.502 11.520 1.00 0.00 H new ATOM 0 HB2 TYR A 59 27.170 20.247 10.965 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.677 20.883 11.626 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.808 19.437 12.448 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.708 19.544 13.734 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.498 18.701 14.711 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.402 18.805 15.999 1.00 0.00 H new ATOM 0 HH TYR A 59 27.092 18.222 17.335 1.00 0.00 H new ATOM 948 N ASN A 60 25.213 18.855 8.427 1.00 0.00 N ATOM 949 CA ASN A 60 24.625 19.305 7.161 1.00 0.00 C ATOM 950 C ASN A 60 23.296 18.599 6.914 1.00 0.00 C ATOM 951 O ASN A 60 22.370 19.182 6.357 1.00 0.00 O ATOM 952 CB ASN A 60 25.572 19.031 5.992 1.00 0.00 C ATOM 953 CG ASN A 60 25.011 19.655 4.716 1.00 0.00 C ATOM 954 OD1 ASN A 60 24.015 19.175 4.174 1.00 0.00 O ATOM 955 ND2 ASN A 60 25.591 20.707 4.202 1.00 0.00 N ATOM 0 H ASN A 60 25.900 18.106 8.337 1.00 0.00 H new ATOM 0 HA ASN A 60 24.457 20.380 7.233 1.00 0.00 H new ATOM 0 HB2 ASN A 60 26.558 19.443 6.206 1.00 0.00 H new ATOM 0 HB3 ASN A 60 25.698 17.957 5.858 1.00 0.00 H new ATOM 0 HD21 ASN A 60 25.219 21.130 3.352 1.00 0.00 H new ATOM 0 HD22 ASN A 60 26.416 21.105 4.651 1.00 0.00 H new ATOM 962 N ILE A 61 23.205 17.342 7.336 1.00 0.00 N ATOM 963 CA ILE A 61 21.965 16.590 7.158 1.00 0.00 C ATOM 964 C ILE A 61 20.872 17.225 8.014 1.00 0.00 C ATOM 965 O ILE A 61 19.791 17.556 7.525 1.00 0.00 O ATOM 966 CB ILE A 61 22.175 15.127 7.563 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.086 14.448 6.538 1.00 0.00 C ATOM 968 CG2 ILE A 61 20.828 14.403 7.610 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.532 13.084 7.069 1.00 0.00 C ATOM 0 H ILE A 61 23.958 16.829 7.795 1.00 0.00 H new ATOM 0 HA ILE A 61 21.666 16.617 6.110 1.00 0.00 H new ATOM 0 HB ILE A 61 22.636 15.086 8.550 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.558 14.326 5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.956 15.074 6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.984 13.363 7.898 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.179 14.889 8.339 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.360 14.440 6.626 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.181 12.603 6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.076 13.218 8.004 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.657 12.458 7.245 1.00 0.00 H new ATOM 981 N GLN A 62 21.171 17.367 9.300 1.00 0.00 N ATOM 982 CA GLN A 62 20.226 17.947 10.244 1.00 0.00 C ATOM 983 C GLN A 62 20.040 19.434 9.948 1.00 0.00 C ATOM 984 O GLN A 62 20.092 20.266 10.855 1.00 0.00 O ATOM 985 CB GLN A 62 20.759 17.772 11.673 1.00 0.00 C ATOM 986 CG GLN A 62 21.056 16.292 11.939 1.00 0.00 C ATOM 987 CD GLN A 62 21.488 16.100 13.390 1.00 0.00 C ATOM 988 OE1 GLN A 62 20.924 16.810 14.329 1.00 0.00 O flip ATOM 989 NE2 GLN A 62 22.364 15.283 13.676 1.00 0.00 N flip ATOM 0 H GLN A 62 22.061 17.088 9.712 1.00 0.00 H new ATOM 0 HA GLN A 62 19.266 17.441 10.146 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.664 18.364 11.808 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.027 18.140 12.392 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.170 15.692 11.732 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.841 15.944 11.268 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.804 14.729 12.941 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.650 15.161 14.648 1.00 0.00 H new ATOM 998 N LYS A 63 19.822 19.771 8.669 1.00 0.00 N ATOM 999 CA LYS A 63 19.621 21.164 8.272 1.00 0.00 C ATOM 1000 C LYS A 63 18.207 21.649 8.608 1.00 0.00 C ATOM 1001 O LYS A 63 17.463 22.071 7.718 1.00 0.00 O ATOM 1002 CB LYS A 63 19.878 21.336 6.761 1.00 0.00 C ATOM 1003 CG LYS A 63 19.998 22.828 6.413 1.00 0.00 C ATOM 1004 CD LYS A 63 20.608 22.995 5.018 1.00 0.00 C ATOM 1005 CE LYS A 63 19.644 22.439 3.967 1.00 0.00 C ATOM 1006 NZ LYS A 63 20.076 22.879 2.611 1.00 0.00 N ATOM 0 H LYS A 63 19.781 19.102 7.901 1.00 0.00 H new ATOM 0 HA LYS A 63 20.333 21.768 8.835 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.792 20.814 6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 63 19.064 20.886 6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.015 23.298 6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.619 23.333 7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.809 24.048 4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.563 22.473 4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.623 21.350 4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.631 22.787 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.420 22.501 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.074 23.918 2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.036 22.526 2.421 1.00 0.00 H new ATOM 1020 N GLU A 64 17.847 21.596 9.891 1.00 0.00 N ATOM 1021 CA GLU A 64 16.521 22.044 10.326 1.00 0.00 C ATOM 1022 C GLU A 64 16.295 23.484 9.879 1.00 0.00 C ATOM 1023 O GLU A 64 15.204 23.852 9.451 1.00 0.00 O ATOM 1024 CB GLU A 64 16.420 21.959 11.856 1.00 0.00 C ATOM 1025 CG GLU A 64 16.551 20.501 12.303 1.00 0.00 C ATOM 1026 CD GLU A 64 15.328 19.708 11.862 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.254 20.288 11.813 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.481 18.532 11.578 1.00 0.00 O ATOM 0 H GLU A 64 18.447 21.252 10.641 1.00 0.00 H new ATOM 0 HA GLU A 64 15.762 21.402 9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.203 22.562 12.316 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.466 22.367 12.190 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.453 20.061 11.877 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.654 20.452 13.387 1.00 0.00 H new HETATM 1035 N SEP A 65 17.340 24.299 9.978 1.00 0.00 N HETATM 1036 CA SEP A 65 17.274 25.707 9.577 1.00 0.00 C HETATM 1037 CB SEP A 65 17.359 26.618 10.800 1.00 0.00 C HETATM 1038 OG SEP A 65 17.103 27.960 10.408 1.00 0.00 O HETATM 1039 C SEP A 65 18.426 26.010 8.628 1.00 0.00 C HETATM 1040 O SEP A 65 18.857 25.139 7.871 1.00 0.00 O HETATM 1041 P SEP A 65 17.233 29.091 11.439 1.00 0.00 P HETATM 1042 O1P SEP A 65 18.400 28.652 12.387 1.00 0.00 O HETATM 1043 O2P SEP A 65 15.842 29.156 12.158 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.561 30.377 10.606 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.636 26.303 11.553 1.00 0.00 H new HETATM 0 HB2 SEP A 65 18.346 26.543 11.255 1.00 0.00 H new HETATM 0 HA SEP A 65 16.323 25.890 9.076 1.00 0.00 H new ATOM 1049 N THR A 66 18.942 27.238 8.681 1.00 0.00 N ATOM 1050 CA THR A 66 20.071 27.621 7.836 1.00 0.00 C ATOM 1051 C THR A 66 21.363 27.419 8.614 1.00 0.00 C ATOM 1052 O THR A 66 21.325 27.037 9.786 1.00 0.00 O ATOM 1053 CB THR A 66 19.934 29.095 7.414 1.00 0.00 C ATOM 1054 OG1 THR A 66 19.346 29.838 8.477 1.00 0.00 O ATOM 1055 CG2 THR A 66 19.049 29.185 6.174 1.00 0.00 C ATOM 0 H THR A 66 18.600 27.978 9.294 1.00 0.00 H new ATOM 0 HA THR A 66 20.085 27.002 6.939 1.00 0.00 H new ATOM 0 HB THR A 66 20.918 29.505 7.187 1.00 0.00 H new ATOM 0 HG1 THR A 66 19.055 30.712 8.143 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.950 30.228 5.873 1.00 0.00 H new ATOM 0 HG22 THR A 66 19.500 28.614 5.363 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.064 28.778 6.400 1.00 0.00 H new ATOM 1063 N LEU A 67 22.509 27.652 7.972 1.00 0.00 N ATOM 1064 CA LEU A 67 23.795 27.452 8.630 1.00 0.00 C ATOM 1065 C LEU A 67 24.132 28.631 9.536 1.00 0.00 C ATOM 1066 O LEU A 67 25.270 29.106 9.570 1.00 0.00 O ATOM 1067 CB LEU A 67 24.886 27.302 7.560 1.00 0.00 C ATOM 1068 CG LEU A 67 24.465 26.252 6.513 1.00 0.00 C ATOM 1069 CD1 LEU A 67 25.475 26.224 5.358 1.00 0.00 C ATOM 1070 CD2 LEU A 67 24.405 24.864 7.165 1.00 0.00 C ATOM 0 H LEU A 67 22.570 27.976 7.007 1.00 0.00 H new ATOM 0 HA LEU A 67 23.740 26.552 9.243 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.062 28.261 7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.825 27.004 8.027 1.00 0.00 H new ATOM 0 HG LEU A 67 23.482 26.518 6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.168 25.479 4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.514 27.205 4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.462 25.968 5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.107 24.125 6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 67 25.387 24.605 7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.678 24.875 7.977 1.00 0.00 H new ATOM 1082 N HIS A 68 23.127 29.077 10.274 1.00 0.00 N ATOM 1083 CA HIS A 68 23.299 30.184 11.206 1.00 0.00 C ATOM 1084 C HIS A 68 23.859 29.647 12.511 1.00 0.00 C ATOM 1085 O HIS A 68 23.248 28.798 13.160 1.00 0.00 O ATOM 1086 CB HIS A 68 21.951 30.861 11.465 1.00 0.00 C ATOM 1087 CG HIS A 68 21.523 31.609 10.233 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.832 31.446 8.905 1.00 0.00 N flip ATOM 1089 CD2 HIS A 68 20.656 32.689 10.291 1.00 0.00 C flip ATOM 1090 CE1 HIS A 68 21.167 32.407 8.148 1.00 0.00 C flip ATOM 1091 NE2 HIS A 68 20.474 33.128 9.033 1.00 0.00 N flip ATOM 0 H HIS A 68 22.183 28.690 10.247 1.00 0.00 H new ATOM 0 HA HIS A 68 23.986 30.916 10.781 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.202 30.115 11.729 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.032 31.545 12.310 1.00 0.00 H new ATOM 0 HD2 HIS A 68 20.209 33.102 11.183 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.204 32.540 7.077 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.878 33.917 8.784 1.00 0.00 H new ATOM 1100 N LEU A 69 25.037 30.132 12.880 1.00 0.00 N ATOM 1101 CA LEU A 69 25.708 29.691 14.097 1.00 0.00 C ATOM 1102 C LEU A 69 25.714 30.803 15.136 1.00 0.00 C ATOM 1103 O LEU A 69 26.022 31.952 14.822 1.00 0.00 O ATOM 1104 CB LEU A 69 27.143 29.290 13.737 1.00 0.00 C ATOM 1105 CG LEU A 69 27.954 28.955 14.996 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.223 27.888 15.821 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.330 28.422 14.578 1.00 0.00 C ATOM 0 H LEU A 69 25.551 30.836 12.350 1.00 0.00 H new ATOM 0 HA LEU A 69 25.178 28.839 14.524 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.127 28.428 13.071 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.626 30.103 13.195 1.00 0.00 H new ATOM 0 HG LEU A 69 28.071 29.854 15.601 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.805 27.656 16.713 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.243 28.264 16.115 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.101 26.985 15.222 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.913 28.182 15.467 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.204 27.524 13.973 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.853 29.181 13.996 1.00 0.00 H new ATOM 1119 N VAL A 70 25.394 30.449 16.378 1.00 0.00 N ATOM 1120 CA VAL A 70 25.390 31.421 17.465 1.00 0.00 C ATOM 1121 C VAL A 70 26.630 31.230 18.324 1.00 0.00 C ATOM 1122 O VAL A 70 26.883 30.138 18.836 1.00 0.00 O ATOM 1123 CB VAL A 70 24.127 31.255 18.314 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.217 32.140 19.560 1.00 0.00 C ATOM 1125 CG2 VAL A 70 22.912 31.671 17.487 1.00 0.00 C ATOM 0 H VAL A 70 25.136 29.502 16.655 1.00 0.00 H new ATOM 0 HA VAL A 70 25.398 32.428 17.047 1.00 0.00 H new ATOM 0 HB VAL A 70 24.031 30.213 18.620 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.315 32.017 20.160 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.087 31.851 20.150 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.313 33.183 19.259 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.008 31.556 18.085 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.017 32.713 17.185 1.00 0.00 H new ATOM 0 HG23 VAL A 70 22.843 31.042 16.600 1.00 0.00 H new ATOM 1135 N LEU A 71 27.406 32.300 18.475 1.00 0.00 N ATOM 1136 CA LEU A 71 28.630 32.245 19.271 1.00 0.00 C ATOM 1137 C LEU A 71 28.375 32.707 20.701 1.00 0.00 C ATOM 1138 O LEU A 71 27.936 33.833 20.936 1.00 0.00 O ATOM 1139 CB LEU A 71 29.711 33.124 18.634 1.00 0.00 C ATOM 1140 CG LEU A 71 31.066 32.865 19.318 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.559 31.434 19.020 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.098 33.877 18.801 1.00 0.00 C ATOM 0 H LEU A 71 27.211 33.211 18.060 1.00 0.00 H new ATOM 0 HA LEU A 71 28.969 31.209 19.296 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.785 32.910 17.568 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.440 34.176 18.730 1.00 0.00 H new ATOM 0 HG LEU A 71 30.942 32.976 20.395 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.518 31.270 19.512 1.00 0.00 H new ATOM 0 HD12 LEU A 71 30.831 30.713 19.393 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.677 31.306 17.944 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.058 33.696 19.284 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.207 33.766 17.722 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.762 34.888 19.030 1.00 0.00 H new ATOM 1154 N ARG A 72 28.672 31.825 21.651 1.00 0.00 N ATOM 1155 CA ARG A 72 28.503 32.126 23.072 1.00 0.00 C ATOM 1156 C ARG A 72 29.864 32.454 23.683 1.00 0.00 C ATOM 1157 O ARG A 72 30.856 31.792 23.383 1.00 0.00 O ATOM 1158 CB ARG A 72 27.891 30.907 23.786 1.00 0.00 C ATOM 1159 CG ARG A 72 26.361 30.890 23.616 1.00 0.00 C ATOM 1160 CD ARG A 72 25.735 29.963 24.662 1.00 0.00 C ATOM 1161 NE ARG A 72 26.508 28.734 24.779 1.00 0.00 N ATOM 1162 CZ ARG A 72 26.268 27.863 25.753 1.00 0.00 C ATOM 1163 NH1 ARG A 72 26.973 26.768 25.837 1.00 0.00 N ATOM 1164 NH2 ARG A 72 25.327 28.103 26.625 1.00 0.00 N ATOM 0 H ARG A 72 29.033 30.890 21.462 1.00 0.00 H new ATOM 0 HA ARG A 72 27.838 32.981 23.190 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.317 29.990 23.380 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.144 30.935 24.846 1.00 0.00 H new ATOM 0 HG2 ARG A 72 25.962 31.899 23.725 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.101 30.551 22.613 1.00 0.00 H new ATOM 0 HD2 ARG A 72 25.695 30.468 25.627 1.00 0.00 H new ATOM 0 HD3 ARG A 72 24.708 29.729 24.382 1.00 0.00 H new ATOM 0 HE ARG A 72 27.246 28.539 24.102 1.00 0.00 H new ATOM 0 HH11 ARG A 72 27.708 26.581 25.155 1.00 0.00 H new ATOM 0 HH12 ARG A 72 26.789 26.099 26.585 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.776 28.959 26.558 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.142 27.435 27.373 1.00 0.00 H new ATOM 1178 N LEU A 73 29.905 33.472 24.543 1.00 0.00 N ATOM 1179 CA LEU A 73 31.157 33.872 25.196 1.00 0.00 C ATOM 1180 C LEU A 73 31.008 33.820 26.713 1.00 0.00 C ATOM 1181 O LEU A 73 29.987 34.236 27.258 1.00 0.00 O ATOM 1182 CB LEU A 73 31.548 35.290 24.763 1.00 0.00 C ATOM 1183 CG LEU A 73 33.015 35.578 25.154 1.00 0.00 C ATOM 1184 CD1 LEU A 73 33.967 35.066 24.063 1.00 0.00 C ATOM 1185 CD2 LEU A 73 33.216 37.088 25.325 1.00 0.00 C ATOM 0 H LEU A 73 29.094 34.032 24.804 1.00 0.00 H new ATOM 0 HA LEU A 73 31.940 33.176 24.895 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.423 35.397 23.686 1.00 0.00 H new ATOM 0 HB3 LEU A 73 30.888 36.018 25.235 1.00 0.00 H new ATOM 0 HG LEU A 73 33.233 35.066 26.091 1.00 0.00 H new ATOM 0 HD11 LEU A 73 34.997 35.275 24.351 1.00 0.00 H new ATOM 0 HD12 LEU A 73 33.836 33.991 23.941 1.00 0.00 H new ATOM 0 HD13 LEU A 73 33.745 35.568 23.121 1.00 0.00 H new ATOM 0 HD21 LEU A 73 34.251 37.288 25.601 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.986 37.594 24.388 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.554 37.457 26.109 1.00 0.00 H new ATOM 1197 N ARG A 74 32.032 33.302 27.391 1.00 0.00 N ATOM 1198 CA ARG A 74 32.001 33.198 28.847 1.00 0.00 C ATOM 1199 C ARG A 74 31.692 34.551 29.477 1.00 0.00 C ATOM 1200 O ARG A 74 31.200 34.625 30.603 1.00 0.00 O ATOM 1201 CB ARG A 74 33.350 32.686 29.363 1.00 0.00 C ATOM 1202 CG ARG A 74 33.282 32.500 30.881 1.00 0.00 C ATOM 1203 CD ARG A 74 34.508 31.717 31.356 1.00 0.00 C ATOM 1204 NE ARG A 74 34.490 31.584 32.809 1.00 0.00 N ATOM 1205 CZ ARG A 74 35.258 30.692 33.428 1.00 0.00 C ATOM 1206 NH1 ARG A 74 35.231 30.600 34.730 1.00 0.00 N ATOM 1207 NH2 ARG A 74 36.036 29.907 32.734 1.00 0.00 N ATOM 0 H ARG A 74 32.886 32.951 26.958 1.00 0.00 H new ATOM 0 HA ARG A 74 31.215 32.495 29.125 1.00 0.00 H new ATOM 0 HB2 ARG A 74 33.600 31.741 28.881 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.140 33.392 29.108 1.00 0.00 H new ATOM 0 HG2 ARG A 74 33.244 33.471 31.375 1.00 0.00 H new ATOM 0 HG3 ARG A 74 32.370 31.968 31.152 1.00 0.00 H new ATOM 0 HD2 ARG A 74 34.520 30.730 30.893 1.00 0.00 H new ATOM 0 HD3 ARG A 74 35.418 32.227 31.042 1.00 0.00 H new ATOM 0 HE ARG A 74 33.878 32.186 33.360 1.00 0.00 H new ATOM 0 HH11 ARG A 74 34.621 31.212 35.272 1.00 0.00 H new ATOM 0 HH12 ARG A 74 35.820 29.916 35.205 1.00 0.00 H new ATOM 0 HH21 ARG A 74 36.055 29.978 31.717 1.00 0.00 H new ATOM 0 HH22 ARG A 74 36.625 29.223 33.209 1.00 0.00 H new ATOM 1221 N GLY A 75 31.983 35.618 28.742 1.00 0.00 N ATOM 1222 CA GLY A 75 31.731 36.967 29.236 1.00 0.00 C ATOM 1223 C GLY A 75 30.239 37.196 29.457 1.00 0.00 C ATOM 1224 O GLY A 75 29.840 38.127 30.156 1.00 0.00 O ATOM 0 H GLY A 75 32.391 35.577 27.808 1.00 0.00 H new ATOM 0 HA2 GLY A 75 32.269 37.123 30.171 1.00 0.00 H new ATOM 0 HA3 GLY A 75 32.113 37.697 28.523 1.00 0.00 H new ATOM 1228 N GLY A 76 29.419 36.341 28.855 1.00 0.00 N ATOM 1229 CA GLY A 76 27.971 36.461 28.993 1.00 0.00 C ATOM 1230 C GLY A 76 27.252 35.606 27.955 1.00 0.00 C ATOM 1231 O GLY A 76 26.529 34.708 28.352 1.00 0.00 O ATOM 1232 OXT GLY A 76 27.435 35.863 26.776 1.00 0.00 O ATOM 0 H GLY A 76 29.728 35.564 28.272 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.671 36.153 29.995 1.00 0.00 H new ATOM 0 HA3 GLY A 76 27.676 37.504 28.878 1.00 0.00 H new TER 1236 GLY A 76