USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -0.181 X(o=-0.62,f=-0.62) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.435 X(o=-0.62,f=-0.7) USER MOD Set 2.1: A 22 THR OG1 : rot 164:sc= 1.28 USER MOD Set 2.2: A 25 ASN :FLIP amide:sc= 0.0163 F(o=0.49,f=1.3) USER MOD Set 3.1: A 7 THR OG1 : rot 104:sc= 0.464 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.45 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 1.23 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.14) 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= -0.0262 USER MOD Single : A 14 THR OG1 : rot -81:sc= 1.11 USER MOD Single : A 20 SER OG : rot -34:sc= 0.0705 USER MOD Single : A 27 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.761) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.22) USER MOD Single : A 31 GLN : amide:sc= -0.25 K(o=-0.25,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.88 (180deg=1.44) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 41 ASN : amide:sc= -0.225 K(o=-0.22,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.79) USER MOD Single : A 55 THR OG1 : rot -89:sc= 1.68 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 128:sc= 1.32 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -97:sc= 1.4 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.435 -2.547 4.388 1.00 0.00 N ATOM 2 CA MET A 1 -13.196 -2.832 2.959 1.00 0.00 C ATOM 3 C MET A 1 -11.906 -3.605 2.822 1.00 0.00 C ATOM 4 O MET A 1 -11.108 -3.560 3.744 1.00 0.00 O ATOM 5 CB MET A 1 -12.963 -1.558 2.142 1.00 0.00 C ATOM 6 CG MET A 1 -14.198 -0.746 1.833 1.00 0.00 C ATOM 7 SD MET A 1 -13.842 0.885 1.141 1.00 0.00 S ATOM 8 CE MET A 1 -15.527 1.454 0.790 1.00 0.00 C ATOM 0 H1 MET A 1 -14.369 -2.105 4.502 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.403 -3.435 4.929 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.701 -1.900 4.741 1.00 0.00 H new ATOM 0 HA MET A 1 -14.076 -3.367 2.601 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.260 -0.925 2.683 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.486 -1.833 1.201 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.820 -1.301 1.131 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.780 -0.624 2.747 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.491 2.453 0.355 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.003 0.770 0.088 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.102 1.482 1.716 1.00 0.00 H new ATOM 18 N GLN A 2 -11.646 -4.280 1.704 1.00 0.00 N ATOM 19 CA GLN A 2 -10.391 -4.986 1.525 1.00 0.00 C ATOM 20 C GLN A 2 -9.883 -4.784 0.105 1.00 0.00 C ATOM 21 O GLN A 2 -10.667 -4.537 -0.813 1.00 0.00 O ATOM 22 CB GLN A 2 -10.490 -6.450 1.967 1.00 0.00 C ATOM 23 CG GLN A 2 -11.459 -7.342 1.194 1.00 0.00 C ATOM 24 CD GLN A 2 -11.292 -8.789 1.656 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.183 -9.102 2.840 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.236 -9.725 0.728 1.00 0.00 N ATOM 0 H GLN A 2 -12.288 -4.350 0.915 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.636 -4.560 2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.496 -6.892 1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -10.778 -6.468 3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.485 -7.012 1.358 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.267 -7.265 0.124 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.326 -9.473 -0.256 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.103 -10.700 0.995 1.00 0.00 H new ATOM 35 N ILE A 3 -8.563 -4.842 -0.054 1.00 0.00 N ATOM 36 CA ILE A 3 -7.843 -4.692 -1.313 1.00 0.00 C ATOM 37 C ILE A 3 -6.726 -5.732 -1.339 1.00 0.00 C ATOM 38 O ILE A 3 -6.360 -6.295 -0.302 1.00 0.00 O ATOM 39 CB ILE A 3 -7.310 -3.252 -1.558 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.022 -2.860 -0.795 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.395 -2.181 -1.356 1.00 0.00 C ATOM 42 CD1 ILE A 3 -6.107 -2.929 0.731 1.00 0.00 C ATOM 0 H ILE A 3 -7.935 -5.003 0.734 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.537 -4.862 -2.136 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.020 -3.284 -2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.214 -3.512 -1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.748 -1.844 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.970 -1.194 -1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.215 -2.358 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.769 -2.231 -0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.150 -2.634 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.887 -2.254 1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.344 -3.948 1.036 1.00 0.00 H new ATOM 54 N PHE A 4 -6.187 -5.985 -2.525 1.00 0.00 N ATOM 55 CA PHE A 4 -5.112 -6.933 -2.733 1.00 0.00 C ATOM 56 C PHE A 4 -3.795 -6.164 -2.810 1.00 0.00 C ATOM 57 O PHE A 4 -3.766 -4.977 -3.144 1.00 0.00 O ATOM 58 CB PHE A 4 -5.390 -7.760 -3.994 1.00 0.00 C ATOM 59 CG PHE A 4 -6.674 -8.565 -3.909 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.677 -9.803 -3.241 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.874 -8.064 -4.453 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.861 -10.556 -3.163 1.00 0.00 C ATOM 63 CE2 PHE A 4 -9.069 -8.794 -4.333 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.048 -10.058 -3.722 1.00 0.00 C ATOM 0 H PHE A 4 -6.494 -5.526 -3.382 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.043 -7.637 -1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.443 -7.093 -4.854 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.554 -8.438 -4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.770 -10.175 -2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.875 -7.113 -4.965 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.857 -11.518 -2.673 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.996 -8.386 -4.708 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.950 -10.650 -3.682 1.00 0.00 H new ATOM 74 N VAL A 5 -2.695 -6.852 -2.528 1.00 0.00 N ATOM 75 CA VAL A 5 -1.339 -6.341 -2.530 1.00 0.00 C ATOM 76 C VAL A 5 -0.464 -7.375 -3.220 1.00 0.00 C ATOM 77 O VAL A 5 -0.368 -8.514 -2.762 1.00 0.00 O ATOM 78 CB VAL A 5 -0.873 -6.032 -1.086 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.650 -6.142 -0.875 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.331 -4.621 -0.693 1.00 0.00 C ATOM 0 H VAL A 5 -2.734 -7.840 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.272 -5.398 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.329 -6.793 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.891 -5.910 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.977 -7.156 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.160 -5.438 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.004 -4.402 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.897 -3.893 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.418 -4.564 -0.744 1.00 0.00 H new ATOM 90 N LYS A 6 0.108 -6.990 -4.359 1.00 0.00 N ATOM 91 CA LYS A 6 1.014 -7.809 -5.142 1.00 0.00 C ATOM 92 C LYS A 6 2.404 -7.448 -4.618 1.00 0.00 C ATOM 93 O LYS A 6 2.769 -6.268 -4.660 1.00 0.00 O ATOM 94 CB LYS A 6 0.882 -7.481 -6.637 1.00 0.00 C ATOM 95 CG LYS A 6 1.635 -8.481 -7.535 1.00 0.00 C ATOM 96 CD LYS A 6 0.934 -9.838 -7.701 1.00 0.00 C ATOM 97 CE LYS A 6 -0.461 -9.771 -8.338 1.00 0.00 C ATOM 98 NZ LYS A 6 -0.419 -9.262 -9.720 1.00 0.00 N ATOM 0 H LYS A 6 -0.055 -6.071 -4.770 1.00 0.00 H new ATOM 0 HA LYS A 6 0.805 -8.875 -5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.173 -7.476 -6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.264 -6.477 -6.819 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.773 -8.034 -8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.629 -8.648 -7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.565 -10.484 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.848 -10.308 -6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.909 -10.765 -8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.103 -9.128 -7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.383 -9.234 -10.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.016 -8.303 -9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.172 -9.889 -10.303 1.00 0.00 H new ATOM 112 N THR A 7 3.128 -8.400 -4.043 1.00 0.00 N ATOM 113 CA THR A 7 4.473 -8.172 -3.518 1.00 0.00 C ATOM 114 C THR A 7 5.498 -8.267 -4.660 1.00 0.00 C ATOM 115 O THR A 7 5.144 -8.659 -5.777 1.00 0.00 O ATOM 116 CB THR A 7 4.753 -9.131 -2.349 1.00 0.00 C ATOM 117 OG1 THR A 7 4.815 -10.478 -2.775 1.00 0.00 O ATOM 118 CG2 THR A 7 3.662 -9.040 -1.273 1.00 0.00 C ATOM 0 H THR A 7 2.799 -9.358 -3.926 1.00 0.00 H new ATOM 0 HA THR A 7 4.558 -7.165 -3.109 1.00 0.00 H new ATOM 0 HB THR A 7 5.716 -8.825 -1.940 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.751 -10.766 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.892 -9.731 -0.462 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.620 -8.023 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.698 -9.301 -1.709 1.00 0.00 H new ATOM 126 N LEU A 8 6.772 -7.939 -4.411 1.00 0.00 N ATOM 127 CA LEU A 8 7.835 -8.003 -5.419 1.00 0.00 C ATOM 128 C LEU A 8 8.006 -9.427 -5.957 1.00 0.00 C ATOM 129 O LEU A 8 8.353 -9.594 -7.124 1.00 0.00 O ATOM 130 CB LEU A 8 9.172 -7.476 -4.866 1.00 0.00 C ATOM 131 CG LEU A 8 9.307 -5.941 -4.923 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.550 -5.507 -4.141 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.439 -5.423 -6.363 1.00 0.00 C ATOM 0 H LEU A 8 7.095 -7.620 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 8 7.533 -7.358 -6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.281 -7.803 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.990 -7.925 -5.430 1.00 0.00 H new ATOM 0 HG LEU A 8 8.400 -5.522 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.645 -4.422 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.456 -5.824 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.435 -5.965 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.531 -4.337 -6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.325 -5.858 -6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.555 -5.706 -6.934 1.00 0.00 H new ATOM 145 N THR A 9 7.735 -10.455 -5.150 1.00 0.00 N ATOM 146 CA THR A 9 7.826 -11.862 -5.551 1.00 0.00 C ATOM 147 C THR A 9 6.659 -12.271 -6.473 1.00 0.00 C ATOM 148 O THR A 9 6.582 -13.417 -6.918 1.00 0.00 O ATOM 149 CB THR A 9 7.890 -12.734 -4.283 1.00 0.00 C ATOM 150 OG1 THR A 9 6.931 -12.338 -3.316 1.00 0.00 O ATOM 151 CG2 THR A 9 9.284 -12.632 -3.664 1.00 0.00 C ATOM 0 H THR A 9 7.441 -10.331 -4.181 1.00 0.00 H new ATOM 0 HA THR A 9 8.734 -12.012 -6.134 1.00 0.00 H new ATOM 0 HB THR A 9 7.672 -13.760 -4.579 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.003 -12.916 -2.528 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.330 -13.249 -2.767 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.027 -12.980 -4.382 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.491 -11.594 -3.402 1.00 0.00 H new ATOM 159 N GLY A 10 5.731 -11.355 -6.760 1.00 0.00 N ATOM 160 CA GLY A 10 4.566 -11.581 -7.609 1.00 0.00 C ATOM 161 C GLY A 10 3.458 -12.291 -6.843 1.00 0.00 C ATOM 162 O GLY A 10 2.494 -12.784 -7.440 1.00 0.00 O ATOM 0 H GLY A 10 5.774 -10.404 -6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.197 -10.627 -7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.853 -12.178 -8.475 1.00 0.00 H new ATOM 166 N LYS A 11 3.624 -12.404 -5.526 1.00 0.00 N ATOM 167 CA LYS A 11 2.684 -13.050 -4.637 1.00 0.00 C ATOM 168 C LYS A 11 1.549 -12.087 -4.341 1.00 0.00 C ATOM 169 O LYS A 11 1.790 -10.880 -4.341 1.00 0.00 O ATOM 170 CB LYS A 11 3.408 -13.394 -3.332 1.00 0.00 C ATOM 171 CG LYS A 11 2.830 -14.664 -2.691 1.00 0.00 C ATOM 172 CD LYS A 11 3.310 -14.846 -1.251 1.00 0.00 C ATOM 173 CE LYS A 11 2.570 -13.910 -0.287 1.00 0.00 C ATOM 174 NZ LYS A 11 3.232 -13.915 1.034 1.00 0.00 N ATOM 0 H LYS A 11 4.443 -12.035 -5.043 1.00 0.00 H new ATOM 0 HA LYS A 11 2.287 -13.956 -5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.471 -13.535 -3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.321 -12.561 -2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.741 -14.615 -2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.119 -15.533 -3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.157 -15.881 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.381 -14.652 -1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.555 -12.898 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.533 -14.228 -0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.723 -13.278 1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.225 -14.880 1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.215 -13.591 0.931 1.00 0.00 H new ATOM 188 N THR A 12 0.365 -12.587 -4.008 1.00 0.00 N ATOM 189 CA THR A 12 -0.762 -11.725 -3.686 1.00 0.00 C ATOM 190 C THR A 12 -1.230 -12.007 -2.265 1.00 0.00 C ATOM 191 O THR A 12 -1.308 -13.157 -1.830 1.00 0.00 O ATOM 192 CB THR A 12 -1.885 -11.833 -4.735 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.366 -11.681 -6.041 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.928 -10.726 -4.547 1.00 0.00 C ATOM 0 H THR A 12 0.162 -13.585 -3.954 1.00 0.00 H new ATOM 0 HA THR A 12 -0.441 -10.684 -3.724 1.00 0.00 H new ATOM 0 HB THR A 12 -2.339 -12.815 -4.604 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.094 -11.754 -6.693 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.708 -10.829 -5.302 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.371 -10.808 -3.554 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.448 -9.753 -4.651 1.00 0.00 H new ATOM 202 N ILE A 13 -1.532 -10.935 -1.539 1.00 0.00 N ATOM 203 CA ILE A 13 -2.014 -10.892 -0.166 1.00 0.00 C ATOM 204 C ILE A 13 -3.256 -9.987 -0.192 1.00 0.00 C ATOM 205 O ILE A 13 -3.366 -9.139 -1.078 1.00 0.00 O ATOM 206 CB ILE A 13 -0.883 -10.329 0.737 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.410 -11.174 0.609 1.00 0.00 C ATOM 208 CG2 ILE A 13 -1.319 -10.247 2.214 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.635 -10.535 1.266 1.00 0.00 C ATOM 0 H ILE A 13 -1.437 -9.998 -1.930 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.281 -11.870 0.235 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.674 -9.317 0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.239 -12.153 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.621 -11.340 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.500 -9.848 2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.186 -9.592 2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.580 -11.243 2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.500 -11.186 1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.834 -9.569 0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.445 -10.395 2.330 1.00 0.00 H new ATOM 221 N THR A 14 -4.164 -10.129 0.769 1.00 0.00 N ATOM 222 CA THR A 14 -5.382 -9.337 0.896 1.00 0.00 C ATOM 223 C THR A 14 -5.297 -8.630 2.255 1.00 0.00 C ATOM 224 O THR A 14 -4.829 -9.234 3.224 1.00 0.00 O ATOM 225 CB THR A 14 -6.612 -10.247 0.768 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.462 -11.172 -0.294 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.868 -9.428 0.489 1.00 0.00 C ATOM 0 H THR A 14 -4.067 -10.825 1.508 1.00 0.00 H new ATOM 0 HA THR A 14 -5.481 -8.592 0.106 1.00 0.00 H new ATOM 0 HB THR A 14 -6.705 -10.778 1.715 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.679 -10.733 -1.143 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.726 -10.095 0.402 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.035 -8.727 1.307 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.743 -8.876 -0.442 1.00 0.00 H new ATOM 235 N LEU A 15 -5.693 -7.356 2.343 1.00 0.00 N ATOM 236 CA LEU A 15 -5.662 -6.553 3.572 1.00 0.00 C ATOM 237 C LEU A 15 -6.999 -5.860 3.765 1.00 0.00 C ATOM 238 O LEU A 15 -7.643 -5.546 2.765 1.00 0.00 O ATOM 239 CB LEU A 15 -4.629 -5.420 3.499 1.00 0.00 C ATOM 240 CG LEU A 15 -3.215 -5.765 3.029 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.476 -4.434 2.871 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.468 -6.675 4.008 1.00 0.00 C ATOM 0 H LEU A 15 -6.054 -6.840 1.540 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.418 -7.243 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.023 -4.651 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.552 -4.975 4.491 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.266 -6.321 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.456 -4.622 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.992 -3.816 2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.453 -3.915 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.471 -6.885 3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.385 -6.179 4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.016 -7.610 4.126 1.00 0.00 H new ATOM 254 N GLU A 16 -7.389 -5.574 5.008 1.00 0.00 N ATOM 255 CA GLU A 16 -8.642 -4.888 5.317 1.00 0.00 C ATOM 256 C GLU A 16 -8.299 -3.436 5.669 1.00 0.00 C ATOM 257 O GLU A 16 -7.344 -3.197 6.399 1.00 0.00 O ATOM 258 CB GLU A 16 -9.424 -5.605 6.429 1.00 0.00 C ATOM 259 CG GLU A 16 -10.889 -5.141 6.396 1.00 0.00 C ATOM 260 CD GLU A 16 -11.727 -5.698 7.538 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.092 -6.893 7.495 1.00 0.00 O ATOM 262 OE2 GLU A 16 -12.079 -4.919 8.455 1.00 0.00 O ATOM 0 H GLU A 16 -6.840 -5.814 5.833 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.308 -4.901 4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.369 -6.685 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.982 -5.385 7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.918 -4.052 6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.336 -5.441 5.448 1.00 0.00 H new ATOM 269 N VAL A 17 -9.049 -2.462 5.160 1.00 0.00 N ATOM 270 CA VAL A 17 -8.899 -1.017 5.323 1.00 0.00 C ATOM 271 C VAL A 17 -10.270 -0.330 5.425 1.00 0.00 C ATOM 272 O VAL A 17 -11.314 -0.980 5.324 1.00 0.00 O ATOM 273 CB VAL A 17 -8.166 -0.473 4.070 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.742 -1.027 3.902 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.968 -0.730 2.769 1.00 0.00 C ATOM 0 H VAL A 17 -9.850 -2.684 4.569 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.340 -0.813 6.236 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.088 0.601 4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.290 -0.603 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.142 -0.759 4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.782 -2.112 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.417 -0.332 1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.115 -1.802 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.938 -0.237 2.836 1.00 0.00 H new ATOM 285 N GLU A 18 -10.271 0.995 5.565 1.00 0.00 N ATOM 286 CA GLU A 18 -11.449 1.849 5.636 1.00 0.00 C ATOM 287 C GLU A 18 -11.200 3.066 4.724 1.00 0.00 C ATOM 288 O GLU A 18 -10.045 3.387 4.441 1.00 0.00 O ATOM 289 CB GLU A 18 -11.739 2.320 7.063 1.00 0.00 C ATOM 290 CG GLU A 18 -12.167 1.213 8.053 1.00 0.00 C ATOM 291 CD GLU A 18 -13.483 0.500 7.710 1.00 0.00 C ATOM 292 OE1 GLU A 18 -13.749 -0.607 8.247 1.00 0.00 O ATOM 293 OE2 GLU A 18 -14.275 1.032 6.903 1.00 0.00 O ATOM 0 H GLU A 18 -9.403 1.526 5.635 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.319 1.279 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.847 2.809 7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.525 3.074 7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.373 0.469 8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.259 1.652 9.046 1.00 0.00 H new ATOM 300 N PRO A 19 -12.238 3.791 4.278 1.00 0.00 N ATOM 301 CA PRO A 19 -12.083 4.949 3.393 1.00 0.00 C ATOM 302 C PRO A 19 -11.251 6.109 3.966 1.00 0.00 C ATOM 303 O PRO A 19 -10.561 6.804 3.214 1.00 0.00 O ATOM 304 CB PRO A 19 -13.506 5.415 3.070 1.00 0.00 C ATOM 305 CG PRO A 19 -14.385 4.217 3.431 1.00 0.00 C ATOM 306 CD PRO A 19 -13.641 3.510 4.541 1.00 0.00 C ATOM 0 HA PRO A 19 -11.516 4.641 2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.777 6.297 3.650 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.609 5.681 2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.374 4.537 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.531 3.561 2.573 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.943 3.881 5.520 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.839 2.438 4.532 1.00 0.00 H new ATOM 314 N SER A 20 -11.324 6.356 5.275 1.00 0.00 N ATOM 315 CA SER A 20 -10.594 7.424 5.948 1.00 0.00 C ATOM 316 C SER A 20 -9.174 6.986 6.326 1.00 0.00 C ATOM 317 O SER A 20 -8.386 7.833 6.750 1.00 0.00 O ATOM 318 CB SER A 20 -11.413 7.867 7.175 1.00 0.00 C ATOM 319 OG SER A 20 -10.940 9.068 7.752 1.00 0.00 O ATOM 0 H SER A 20 -11.905 5.806 5.907 1.00 0.00 H new ATOM 0 HA SER A 20 -10.471 8.271 5.273 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.455 7.997 6.882 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.390 7.076 7.925 1.00 0.00 H new ATOM 0 HG SER A 20 -9.965 9.111 7.664 1.00 0.00 H new ATOM 325 N ASP A 21 -8.811 5.708 6.172 1.00 0.00 N ATOM 326 CA ASP A 21 -7.474 5.240 6.532 1.00 0.00 C ATOM 327 C ASP A 21 -6.378 5.995 5.792 1.00 0.00 C ATOM 328 O ASP A 21 -6.409 6.092 4.557 1.00 0.00 O ATOM 329 CB ASP A 21 -7.286 3.734 6.261 1.00 0.00 C ATOM 330 CG ASP A 21 -7.808 2.810 7.359 1.00 0.00 C ATOM 331 OD1 ASP A 21 -7.726 1.577 7.162 1.00 0.00 O ATOM 332 OD2 ASP A 21 -8.271 3.315 8.414 1.00 0.00 O ATOM 0 H ASP A 21 -9.425 4.983 5.801 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.388 5.430 7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.788 3.483 5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.224 3.536 6.115 1.00 0.00 H new ATOM 337 N THR A 22 -5.426 6.564 6.543 1.00 0.00 N ATOM 338 CA THR A 22 -4.317 7.246 5.899 1.00 0.00 C ATOM 339 C THR A 22 -3.461 6.130 5.310 1.00 0.00 C ATOM 340 O THR A 22 -3.450 5.005 5.819 1.00 0.00 O ATOM 341 CB THR A 22 -3.493 8.140 6.839 1.00 0.00 C ATOM 342 OG1 THR A 22 -2.941 7.412 7.915 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.324 9.284 7.406 1.00 0.00 C ATOM 0 H THR A 22 -5.406 6.563 7.563 1.00 0.00 H new ATOM 0 HA THR A 22 -4.692 7.942 5.148 1.00 0.00 H new ATOM 0 HB THR A 22 -2.686 8.545 6.228 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.232 7.940 8.338 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.704 9.892 8.065 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.699 9.901 6.589 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.164 8.879 7.970 1.00 0.00 H new ATOM 351 N ILE A 23 -2.658 6.456 4.308 1.00 0.00 N ATOM 352 CA ILE A 23 -1.772 5.527 3.606 1.00 0.00 C ATOM 353 C ILE A 23 -0.803 4.794 4.550 1.00 0.00 C ATOM 354 O ILE A 23 -0.259 3.739 4.216 1.00 0.00 O ATOM 355 CB ILE A 23 -1.079 6.331 2.494 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.110 7.082 1.620 1.00 0.00 C ATOM 357 CG2 ILE A 23 -0.169 5.449 1.638 1.00 0.00 C ATOM 358 CD1 ILE A 23 -3.166 6.191 0.954 1.00 0.00 C ATOM 0 H ILE A 23 -2.600 7.408 3.945 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.341 4.710 3.163 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.447 7.074 2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.618 7.822 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.576 7.629 0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.302 6.055 0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.601 5.002 2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.760 4.661 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.843 6.808 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.674 5.467 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.733 5.663 1.721 1.00 0.00 H new ATOM 370 N GLU A 24 -0.603 5.358 5.733 1.00 0.00 N ATOM 371 CA GLU A 24 0.223 4.886 6.825 1.00 0.00 C ATOM 372 C GLU A 24 -0.320 3.523 7.259 1.00 0.00 C ATOM 373 O GLU A 24 0.411 2.539 7.315 1.00 0.00 O ATOM 374 CB GLU A 24 0.135 5.933 7.950 1.00 0.00 C ATOM 375 CG GLU A 24 0.493 7.341 7.429 1.00 0.00 C ATOM 376 CD GLU A 24 0.368 8.419 8.495 1.00 0.00 C ATOM 377 OE1 GLU A 24 -0.765 8.656 8.969 1.00 0.00 O ATOM 378 OE2 GLU A 24 1.393 9.079 8.796 1.00 0.00 O ATOM 0 H GLU A 24 -1.059 6.239 5.970 1.00 0.00 H new ATOM 0 HA GLU A 24 1.270 4.763 6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.873 5.941 8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.811 5.659 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.514 7.332 7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.159 7.589 6.591 1.00 0.00 H new ATOM 385 N ASN A 25 -1.637 3.467 7.480 1.00 0.00 N ATOM 386 CA ASN A 25 -2.393 2.287 7.891 1.00 0.00 C ATOM 387 C ASN A 25 -2.187 1.188 6.869 1.00 0.00 C ATOM 388 O ASN A 25 -1.877 0.046 7.189 1.00 0.00 O ATOM 389 CB ASN A 25 -3.912 2.548 7.914 1.00 0.00 C ATOM 390 CG ASN A 25 -4.282 3.498 9.014 1.00 0.00 C ATOM 391 OD1 ASN A 25 -4.003 4.763 8.804 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -4.764 3.103 10.071 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.232 4.288 7.370 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.042 2.020 8.888 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.228 2.958 6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.444 1.606 8.049 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.968 2.112 10.200 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.960 3.766 10.821 1.00 0.00 H new ATOM 399 N VAL A 26 -2.397 1.558 5.608 1.00 0.00 N ATOM 400 CA VAL A 26 -2.298 0.700 4.450 1.00 0.00 C ATOM 401 C VAL A 26 -0.941 -0.009 4.425 1.00 0.00 C ATOM 402 O VAL A 26 -0.915 -1.226 4.241 1.00 0.00 O ATOM 403 CB VAL A 26 -2.677 1.507 3.194 1.00 0.00 C ATOM 404 CG1 VAL A 26 -2.950 0.551 2.027 1.00 0.00 C ATOM 405 CG2 VAL A 26 -3.936 2.372 3.447 1.00 0.00 C ATOM 0 H VAL A 26 -2.653 2.515 5.364 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.014 -0.121 4.488 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.843 2.166 2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.218 1.126 1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.056 -0.037 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.771 -0.117 2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.181 2.931 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.773 1.727 3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.741 3.068 4.263 1.00 0.00 H new ATOM 415 N LYS A 27 0.178 0.706 4.617 1.00 0.00 N ATOM 416 CA LYS A 27 1.479 0.037 4.624 1.00 0.00 C ATOM 417 C LYS A 27 1.659 -0.747 5.922 1.00 0.00 C ATOM 418 O LYS A 27 2.188 -1.853 5.872 1.00 0.00 O ATOM 419 CB LYS A 27 2.659 0.964 4.315 1.00 0.00 C ATOM 420 CG LYS A 27 2.792 2.193 5.211 1.00 0.00 C ATOM 421 CD LYS A 27 3.932 3.085 4.713 1.00 0.00 C ATOM 422 CE LYS A 27 3.848 4.419 5.452 1.00 0.00 C ATOM 423 NZ LYS A 27 4.861 5.391 5.001 1.00 0.00 N ATOM 0 H LYS A 27 0.207 1.715 4.765 1.00 0.00 H new ATOM 0 HA LYS A 27 1.481 -0.670 3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.580 0.385 4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.572 1.299 3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.857 2.753 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.983 1.885 6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.895 2.609 4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.852 3.240 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.855 4.845 5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.970 4.244 6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.298 5.846 5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.593 4.899 4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.408 6.114 4.407 1.00 0.00 H new ATOM 437 N ALA A 28 1.179 -0.249 7.065 1.00 0.00 N ATOM 438 CA ALA A 28 1.301 -0.942 8.343 1.00 0.00 C ATOM 439 C ALA A 28 0.671 -2.343 8.275 1.00 0.00 C ATOM 440 O ALA A 28 1.253 -3.311 8.773 1.00 0.00 O ATOM 441 CB ALA A 28 0.670 -0.097 9.458 1.00 0.00 C ATOM 0 H ALA A 28 0.695 0.647 7.126 1.00 0.00 H new ATOM 0 HA ALA A 28 2.359 -1.076 8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.765 -0.621 10.409 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.181 0.864 9.520 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.385 0.067 9.238 1.00 0.00 H new ATOM 447 N LYS A 29 -0.485 -2.469 7.611 1.00 0.00 N ATOM 448 CA LYS A 29 -1.224 -3.722 7.439 1.00 0.00 C ATOM 449 C LYS A 29 -0.426 -4.757 6.640 1.00 0.00 C ATOM 450 O LYS A 29 -0.574 -5.952 6.911 1.00 0.00 O ATOM 451 CB LYS A 29 -2.576 -3.426 6.774 1.00 0.00 C ATOM 452 CG LYS A 29 -3.542 -2.648 7.689 1.00 0.00 C ATOM 453 CD LYS A 29 -4.496 -1.794 6.842 1.00 0.00 C ATOM 454 CE LYS A 29 -5.419 -0.884 7.667 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.433 -1.631 8.424 1.00 0.00 N ATOM 0 H LYS A 29 -0.945 -1.675 7.165 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.394 -4.160 8.423 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.408 -2.853 5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.042 -4.366 6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.113 -3.344 8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.977 -2.011 8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.908 -1.178 6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.108 -2.453 6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.816 -0.296 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.917 -0.180 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.015 -0.967 8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.040 -2.159 7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.963 -2.297 9.070 1.00 0.00 H new ATOM 469 N ILE A 30 0.370 -4.349 5.640 1.00 0.00 N ATOM 470 CA ILE A 30 1.183 -5.294 4.868 1.00 0.00 C ATOM 471 C ILE A 30 2.483 -5.539 5.630 1.00 0.00 C ATOM 472 O ILE A 30 2.949 -6.672 5.664 1.00 0.00 O ATOM 473 CB ILE A 30 1.413 -4.872 3.395 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.405 -5.783 2.644 1.00 0.00 C ATOM 475 CG2 ILE A 30 1.843 -3.413 3.209 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.913 -7.223 2.487 1.00 0.00 C ATOM 0 H ILE A 30 0.466 -3.376 5.350 1.00 0.00 H new ATOM 0 HA ILE A 30 0.632 -6.230 4.775 1.00 0.00 H new ATOM 0 HB ILE A 30 0.421 -4.986 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.595 -5.363 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.356 -5.788 3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.981 -3.207 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.074 -2.753 3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.781 -3.240 3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.661 -7.806 1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.750 -7.661 3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.978 -7.229 1.928 1.00 0.00 H new ATOM 488 N GLN A 31 3.059 -4.524 6.281 1.00 0.00 N ATOM 489 CA GLN A 31 4.293 -4.664 7.048 1.00 0.00 C ATOM 490 C GLN A 31 4.100 -5.686 8.165 1.00 0.00 C ATOM 491 O GLN A 31 5.013 -6.453 8.473 1.00 0.00 O ATOM 492 CB GLN A 31 4.768 -3.295 7.525 1.00 0.00 C ATOM 493 CG GLN A 31 5.413 -2.586 6.337 1.00 0.00 C ATOM 494 CD GLN A 31 5.906 -1.204 6.706 1.00 0.00 C ATOM 495 OE1 GLN A 31 6.314 -0.920 7.827 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.822 -0.274 5.786 1.00 0.00 N ATOM 0 H GLN A 31 2.677 -3.578 6.289 1.00 0.00 H new ATOM 0 HA GLN A 31 5.093 -5.056 6.420 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.931 -2.712 7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.483 -3.401 8.341 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.247 -3.182 5.967 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.691 -2.509 5.524 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.483 -0.509 4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.096 0.684 6.003 1.00 0.00 H new ATOM 505 N ASP A 32 2.883 -5.794 8.692 1.00 0.00 N ATOM 506 CA ASP A 32 2.507 -6.755 9.723 1.00 0.00 C ATOM 507 C ASP A 32 2.682 -8.200 9.198 1.00 0.00 C ATOM 508 O ASP A 32 2.827 -9.126 9.990 1.00 0.00 O ATOM 509 CB ASP A 32 1.059 -6.454 10.130 1.00 0.00 C ATOM 510 CG ASP A 32 0.322 -7.639 10.740 1.00 0.00 C ATOM 511 OD1 ASP A 32 -0.543 -8.201 10.028 1.00 0.00 O ATOM 512 OD2 ASP A 32 0.516 -7.924 11.944 1.00 0.00 O ATOM 0 H ASP A 32 2.108 -5.196 8.404 1.00 0.00 H new ATOM 0 HA ASP A 32 3.150 -6.667 10.599 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.058 -5.632 10.846 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.510 -6.112 9.252 1.00 0.00 H new ATOM 517 N LYS A 33 2.776 -8.392 7.876 1.00 0.00 N ATOM 518 CA LYS A 33 2.938 -9.659 7.157 1.00 0.00 C ATOM 519 C LYS A 33 4.236 -9.701 6.338 1.00 0.00 C ATOM 520 O LYS A 33 4.496 -10.706 5.674 1.00 0.00 O ATOM 521 CB LYS A 33 1.745 -9.819 6.193 1.00 0.00 C ATOM 522 CG LYS A 33 0.384 -9.826 6.901 1.00 0.00 C ATOM 523 CD LYS A 33 -0.776 -9.487 5.959 1.00 0.00 C ATOM 524 CE LYS A 33 -2.105 -9.367 6.716 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.110 -8.283 7.724 1.00 0.00 N ATOM 0 H LYS A 33 2.738 -7.602 7.232 1.00 0.00 H new ATOM 0 HA LYS A 33 2.981 -10.464 7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.764 -9.007 5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.861 -10.748 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.213 -10.808 7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.402 -9.108 7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.565 -8.550 5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.861 -10.259 5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.908 -9.192 6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.320 -10.314 7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.090 -8.073 8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.569 -8.583 8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.675 -7.430 7.318 1.00 0.00 H new ATOM 539 N GLU A 34 5.047 -8.640 6.365 1.00 0.00 N ATOM 540 CA GLU A 34 6.301 -8.522 5.620 1.00 0.00 C ATOM 541 C GLU A 34 7.511 -8.418 6.562 1.00 0.00 C ATOM 542 O GLU A 34 8.593 -8.899 6.233 1.00 0.00 O ATOM 543 CB GLU A 34 6.174 -7.321 4.669 1.00 0.00 C ATOM 544 CG GLU A 34 7.259 -7.244 3.592 1.00 0.00 C ATOM 545 CD GLU A 34 7.214 -8.411 2.616 1.00 0.00 C ATOM 546 OE1 GLU A 34 8.154 -9.240 2.650 1.00 0.00 O ATOM 547 OE2 GLU A 34 6.275 -8.507 1.805 1.00 0.00 O ATOM 0 H GLU A 34 4.841 -7.813 6.925 1.00 0.00 H new ATOM 0 HA GLU A 34 6.479 -9.421 5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.200 -7.361 4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.199 -6.404 5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.148 -6.311 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.237 -7.216 4.072 1.00 0.00 H new ATOM 554 N GLY A 35 7.340 -7.835 7.750 1.00 0.00 N ATOM 555 CA GLY A 35 8.391 -7.691 8.749 1.00 0.00 C ATOM 556 C GLY A 35 9.504 -6.745 8.319 1.00 0.00 C ATOM 557 O GLY A 35 10.678 -7.047 8.540 1.00 0.00 O ATOM 0 H GLY A 35 6.447 -7.443 8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.952 -7.327 9.678 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.818 -8.671 8.961 1.00 0.00 H new ATOM 561 N ILE A 36 9.161 -5.640 7.658 1.00 0.00 N ATOM 562 CA ILE A 36 10.081 -4.608 7.184 1.00 0.00 C ATOM 563 C ILE A 36 9.448 -3.243 7.504 1.00 0.00 C ATOM 564 O ILE A 36 8.222 -3.178 7.636 1.00 0.00 O ATOM 565 CB ILE A 36 10.421 -4.799 5.685 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.203 -4.747 4.740 1.00 0.00 C ATOM 567 CG2 ILE A 36 11.158 -6.133 5.469 1.00 0.00 C ATOM 568 CD1 ILE A 36 8.774 -3.340 4.338 1.00 0.00 C ATOM 0 H ILE A 36 8.190 -5.431 7.428 1.00 0.00 H new ATOM 0 HA ILE A 36 11.042 -4.676 7.694 1.00 0.00 H new ATOM 0 HB ILE A 36 11.055 -3.950 5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.434 -5.314 3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.363 -5.245 5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.390 -6.253 4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.083 -6.135 6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.524 -6.956 5.797 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.912 -3.398 3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.508 -2.772 5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.596 -2.842 3.823 1.00 0.00 H new ATOM 580 N PRO A 37 10.233 -2.161 7.634 1.00 0.00 N ATOM 581 CA PRO A 37 9.719 -0.832 7.939 1.00 0.00 C ATOM 582 C PRO A 37 9.344 -0.082 6.644 1.00 0.00 C ATOM 583 O PRO A 37 9.688 -0.534 5.554 1.00 0.00 O ATOM 584 CB PRO A 37 10.899 -0.158 8.648 1.00 0.00 C ATOM 585 CG PRO A 37 12.105 -0.702 7.884 1.00 0.00 C ATOM 586 CD PRO A 37 11.683 -2.121 7.503 1.00 0.00 C ATOM 0 HA PRO A 37 8.812 -0.846 8.543 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.839 0.929 8.590 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.938 -0.419 9.706 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.326 -0.100 7.003 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.003 -0.704 8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.989 -2.358 6.484 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.154 -2.856 8.156 1.00 0.00 H new ATOM 594 N PRO A 38 8.729 1.113 6.720 1.00 0.00 N ATOM 595 CA PRO A 38 8.362 1.920 5.551 1.00 0.00 C ATOM 596 C PRO A 38 9.523 2.296 4.613 1.00 0.00 C ATOM 597 O PRO A 38 9.278 2.882 3.555 1.00 0.00 O ATOM 598 CB PRO A 38 7.734 3.189 6.131 1.00 0.00 C ATOM 599 CG PRO A 38 7.200 2.748 7.486 1.00 0.00 C ATOM 600 CD PRO A 38 8.246 1.738 7.943 1.00 0.00 C ATOM 0 HA PRO A 38 7.697 1.334 4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.469 3.988 6.232 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.937 3.568 5.492 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.114 3.584 8.180 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.210 2.298 7.405 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.057 2.227 8.483 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.813 1.000 8.618 1.00 0.00 H new ATOM 608 N ASP A 39 10.776 2.110 5.026 1.00 0.00 N ATOM 609 CA ASP A 39 11.966 2.397 4.232 1.00 0.00 C ATOM 610 C ASP A 39 12.202 1.193 3.325 1.00 0.00 C ATOM 611 O ASP A 39 12.005 0.056 3.749 1.00 0.00 O ATOM 612 CB ASP A 39 13.190 2.603 5.132 1.00 0.00 C ATOM 613 CG ASP A 39 13.096 3.919 5.887 1.00 0.00 C ATOM 614 OD1 ASP A 39 13.434 4.964 5.296 1.00 0.00 O ATOM 615 OD2 ASP A 39 12.640 3.922 7.055 1.00 0.00 O ATOM 0 H ASP A 39 10.996 1.744 5.952 1.00 0.00 H new ATOM 0 HA ASP A 39 11.819 3.311 3.656 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.268 1.778 5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.097 2.591 4.527 1.00 0.00 H new ATOM 620 N GLN A 40 12.704 1.411 2.106 1.00 0.00 N ATOM 621 CA GLN A 40 12.955 0.335 1.151 1.00 0.00 C ATOM 622 C GLN A 40 11.634 -0.354 0.782 1.00 0.00 C ATOM 623 O GLN A 40 11.623 -1.539 0.458 1.00 0.00 O ATOM 624 CB GLN A 40 14.057 -0.607 1.688 1.00 0.00 C ATOM 625 CG GLN A 40 14.803 -1.406 0.606 1.00 0.00 C ATOM 626 CD GLN A 40 16.050 -2.102 1.156 1.00 0.00 C ATOM 627 OE1 GLN A 40 16.388 -1.995 2.336 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.791 -2.794 0.310 1.00 0.00 N ATOM 0 H GLN A 40 12.947 2.338 1.757 1.00 0.00 H new ATOM 0 HA GLN A 40 13.348 0.731 0.215 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.781 -0.015 2.247 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.606 -1.307 2.392 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.132 -2.151 0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.091 -0.736 -0.204 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.506 -2.879 -0.666 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.648 -3.243 0.632 1.00 0.00 H new ATOM 637 N ASN A 41 10.502 0.362 0.790 1.00 0.00 N ATOM 638 CA ASN A 41 9.210 -0.234 0.461 1.00 0.00 C ATOM 639 C ASN A 41 8.146 0.828 0.195 1.00 0.00 C ATOM 640 O ASN A 41 7.928 1.691 1.045 1.00 0.00 O ATOM 641 CB ASN A 41 8.756 -1.109 1.643 1.00 0.00 C ATOM 642 CG ASN A 41 8.314 -2.483 1.184 1.00 0.00 C ATOM 643 OD1 ASN A 41 7.133 -2.798 1.232 1.00 0.00 O ATOM 644 ND2 ASN A 41 9.245 -3.319 0.748 1.00 0.00 N ATOM 0 H ASN A 41 10.460 1.355 1.021 1.00 0.00 H new ATOM 0 HA ASN A 41 9.329 -0.827 -0.446 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.573 -1.209 2.357 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.935 -0.618 2.165 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.985 -4.256 0.440 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.221 -3.026 0.720 1.00 0.00 H new ATOM 651 N ARG A 42 7.442 0.776 -0.940 1.00 0.00 N ATOM 652 CA ARG A 42 6.409 1.732 -1.301 1.00 0.00 C ATOM 653 C ARG A 42 5.290 1.014 -2.053 1.00 0.00 C ATOM 654 O ARG A 42 5.566 0.109 -2.841 1.00 0.00 O ATOM 655 CB ARG A 42 7.099 2.829 -2.126 1.00 0.00 C ATOM 656 CG ARG A 42 6.312 3.319 -3.343 1.00 0.00 C ATOM 657 CD ARG A 42 7.163 4.335 -4.085 1.00 0.00 C ATOM 658 NE ARG A 42 7.123 5.641 -3.416 1.00 0.00 N ATOM 659 CZ ARG A 42 7.749 6.757 -3.782 1.00 0.00 C ATOM 660 NH1 ARG A 42 8.524 6.769 -4.861 1.00 0.00 N ATOM 661 NH2 ARG A 42 7.589 7.856 -3.058 1.00 0.00 N ATOM 0 H ARG A 42 7.583 0.050 -1.643 1.00 0.00 H new ATOM 0 HA ARG A 42 5.934 2.192 -0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.298 3.680 -1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.065 2.454 -2.465 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.064 2.483 -3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.370 3.769 -3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.193 3.982 -4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.805 4.436 -5.110 1.00 0.00 H new ATOM 0 HE ARG A 42 6.550 5.700 -2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.642 5.920 -5.414 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.001 7.627 -5.137 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.992 7.840 -2.231 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.063 8.718 -3.328 1.00 0.00 H new ATOM 675 N LEU A 43 4.050 1.451 -1.823 1.00 0.00 N ATOM 676 CA LEU A 43 2.824 0.933 -2.426 1.00 0.00 C ATOM 677 C LEU A 43 2.465 1.810 -3.626 1.00 0.00 C ATOM 678 O LEU A 43 2.725 3.013 -3.634 1.00 0.00 O ATOM 679 CB LEU A 43 1.658 1.011 -1.411 1.00 0.00 C ATOM 680 CG LEU A 43 1.612 -0.002 -0.247 1.00 0.00 C ATOM 681 CD1 LEU A 43 1.367 -1.424 -0.749 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.838 0.052 0.670 1.00 0.00 C ATOM 0 H LEU A 43 3.866 2.217 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 43 2.982 -0.103 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.665 2.011 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.727 0.913 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 43 0.763 0.301 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.341 -2.109 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.415 -1.464 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.170 -1.714 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.732 -0.688 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.736 -0.163 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.920 1.046 1.110 1.00 0.00 H new ATOM 694 N ILE A 44 1.805 1.211 -4.609 1.00 0.00 N ATOM 695 CA ILE A 44 1.306 1.759 -5.869 1.00 0.00 C ATOM 696 C ILE A 44 -0.127 1.189 -5.980 1.00 0.00 C ATOM 697 O ILE A 44 -0.355 0.119 -5.435 1.00 0.00 O ATOM 698 CB ILE A 44 2.214 1.286 -7.038 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.746 1.342 -6.798 1.00 0.00 C ATOM 700 CG2 ILE A 44 1.890 2.020 -8.346 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.375 2.722 -6.571 1.00 0.00 C ATOM 0 H ILE A 44 1.580 0.219 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 44 1.307 2.848 -5.908 1.00 0.00 H new ATOM 0 HB ILE A 44 1.966 0.227 -7.109 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.974 0.721 -5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.238 0.885 -7.656 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.547 1.660 -9.138 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.852 1.831 -8.622 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.040 3.091 -8.209 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.448 2.612 -6.417 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.196 3.351 -7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.928 3.185 -5.691 1.00 0.00 H new ATOM 713 N PHE A 45 -1.092 1.791 -6.688 1.00 0.00 N ATOM 714 CA PHE A 45 -2.478 1.240 -6.785 1.00 0.00 C ATOM 715 C PHE A 45 -2.871 0.752 -8.164 1.00 0.00 C ATOM 716 O PHE A 45 -3.530 -0.270 -8.344 1.00 0.00 O ATOM 717 CB PHE A 45 -3.486 2.263 -6.200 1.00 0.00 C ATOM 718 CG PHE A 45 -4.834 2.349 -6.884 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.243 3.541 -7.513 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.669 1.221 -6.913 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.470 3.588 -8.195 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.866 1.252 -7.649 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.273 2.438 -8.284 1.00 0.00 C ATOM 0 H PHE A 45 -0.953 2.659 -7.206 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.501 0.332 -6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.651 2.018 -5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.025 3.250 -6.228 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.614 4.418 -7.471 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.392 0.330 -6.370 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.797 4.510 -8.652 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.474 0.363 -7.727 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.199 2.466 -8.838 1.00 0.00 H new ATOM 733 N ALA A 46 -2.555 1.585 -9.114 1.00 0.00 N ATOM 734 CA ALA A 46 -2.801 1.426 -10.541 1.00 0.00 C ATOM 735 C ALA A 46 -1.835 2.355 -11.267 1.00 0.00 C ATOM 736 O ALA A 46 -2.223 3.198 -12.082 1.00 0.00 O ATOM 737 CB ALA A 46 -4.272 1.741 -10.847 1.00 0.00 C ATOM 0 H ALA A 46 -2.082 2.465 -8.907 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.629 0.404 -10.877 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.455 1.622 -11.915 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.914 1.058 -10.290 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.493 2.767 -10.553 1.00 0.00 H new ATOM 743 N GLY A 47 -0.570 2.266 -10.872 1.00 0.00 N ATOM 744 CA GLY A 47 0.528 3.060 -11.395 1.00 0.00 C ATOM 745 C GLY A 47 0.764 4.302 -10.540 1.00 0.00 C ATOM 746 O GLY A 47 1.888 4.794 -10.510 1.00 0.00 O ATOM 0 H GLY A 47 -0.273 1.611 -10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.435 2.457 -11.424 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.310 3.357 -12.421 1.00 0.00 H new ATOM 750 N LYS A 48 -0.255 4.818 -9.835 1.00 0.00 N ATOM 751 CA LYS A 48 -0.088 5.988 -8.980 1.00 0.00 C ATOM 752 C LYS A 48 0.674 5.518 -7.752 1.00 0.00 C ATOM 753 O LYS A 48 0.301 4.500 -7.165 1.00 0.00 O ATOM 754 CB LYS A 48 -1.432 6.638 -8.614 1.00 0.00 C ATOM 755 CG LYS A 48 -1.218 7.828 -7.652 1.00 0.00 C ATOM 756 CD LYS A 48 -2.364 8.845 -7.680 1.00 0.00 C ATOM 757 CE LYS A 48 -2.234 9.723 -8.931 1.00 0.00 C ATOM 758 NZ LYS A 48 -3.465 10.479 -9.218 1.00 0.00 N ATOM 0 H LYS A 48 -1.201 4.438 -9.845 1.00 0.00 H new ATOM 0 HA LYS A 48 0.465 6.769 -9.502 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.934 6.981 -9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.084 5.899 -8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.103 7.449 -6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.287 8.333 -7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.324 8.328 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.338 9.464 -6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.406 10.419 -8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.988 9.096 -9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.327 11.056 -10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.252 9.816 -9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.687 11.099 -8.413 1.00 0.00 H new ATOM 772 N GLN A 49 1.718 6.257 -7.401 1.00 0.00 N ATOM 773 CA GLN A 49 2.606 6.017 -6.279 1.00 0.00 C ATOM 774 C GLN A 49 1.842 6.514 -5.059 1.00 0.00 C ATOM 775 O GLN A 49 1.256 7.600 -5.096 1.00 0.00 O ATOM 776 CB GLN A 49 3.945 6.769 -6.451 1.00 0.00 C ATOM 777 CG GLN A 49 4.642 6.583 -7.817 1.00 0.00 C ATOM 778 CD GLN A 49 4.118 7.550 -8.883 1.00 0.00 C ATOM 779 OE1 GLN A 49 4.505 8.712 -8.961 1.00 0.00 O ATOM 780 NE2 GLN A 49 3.222 7.125 -9.757 1.00 0.00 N ATOM 0 H GLN A 49 1.981 7.091 -7.927 1.00 0.00 H new ATOM 0 HA GLN A 49 2.872 4.964 -6.189 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.767 7.833 -6.296 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.628 6.443 -5.667 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.715 6.729 -7.696 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.496 5.558 -8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.884 6.164 -9.714 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.869 7.758 -10.474 1.00 0.00 H new ATOM 789 N LEU A 50 1.856 5.737 -3.979 1.00 0.00 N ATOM 790 CA LEU A 50 1.126 6.042 -2.761 1.00 0.00 C ATOM 791 C LEU A 50 2.082 6.256 -1.602 1.00 0.00 C ATOM 792 O LEU A 50 2.853 5.359 -1.246 1.00 0.00 O ATOM 793 CB LEU A 50 0.142 4.889 -2.452 1.00 0.00 C ATOM 794 CG LEU A 50 -0.615 4.326 -3.672 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.451 3.119 -3.264 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.501 5.345 -4.396 1.00 0.00 C ATOM 0 H LEU A 50 2.384 4.866 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 50 0.563 6.965 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.696 4.076 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.588 5.241 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 50 0.158 4.037 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.980 2.732 -4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.799 2.344 -2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.173 3.417 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.995 4.863 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.253 5.728 -3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.886 6.169 -4.758 1.00 0.00 H new ATOM 808 N GLU A 51 2.061 7.448 -1.016 1.00 0.00 N ATOM 809 CA GLU A 51 2.877 7.827 0.131 1.00 0.00 C ATOM 810 C GLU A 51 1.957 8.468 1.169 1.00 0.00 C ATOM 811 O GLU A 51 0.757 8.614 0.930 1.00 0.00 O ATOM 812 CB GLU A 51 4.083 8.678 -0.280 1.00 0.00 C ATOM 813 CG GLU A 51 3.748 10.118 -0.675 1.00 0.00 C ATOM 814 CD GLU A 51 4.668 10.557 -1.820 1.00 0.00 C ATOM 815 OE1 GLU A 51 5.828 10.956 -1.565 1.00 0.00 O ATOM 816 OE2 GLU A 51 4.286 10.420 -3.005 1.00 0.00 O ATOM 0 H GLU A 51 1.455 8.202 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 51 3.336 6.952 0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.794 8.699 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.583 8.193 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.705 10.189 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.873 10.781 0.181 1.00 0.00 H new ATOM 823 N ASP A 52 2.470 8.747 2.361 1.00 0.00 N ATOM 824 CA ASP A 52 1.679 9.337 3.435 1.00 0.00 C ATOM 825 C ASP A 52 1.311 10.793 3.170 1.00 0.00 C ATOM 826 O ASP A 52 1.745 11.402 2.189 1.00 0.00 O ATOM 827 CB ASP A 52 2.372 9.156 4.790 1.00 0.00 C ATOM 828 CG ASP A 52 3.696 9.900 4.818 1.00 0.00 C ATOM 829 OD1 ASP A 52 3.710 11.072 5.236 1.00 0.00 O ATOM 830 OD2 ASP A 52 4.693 9.288 4.361 1.00 0.00 O ATOM 0 H ASP A 52 3.443 8.571 2.610 1.00 0.00 H new ATOM 0 HA ASP A 52 0.734 8.795 3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.725 9.523 5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.540 8.096 4.979 1.00 0.00 H new ATOM 835 N GLY A 53 0.453 11.337 4.029 1.00 0.00 N ATOM 836 CA GLY A 53 -0.051 12.698 3.966 1.00 0.00 C ATOM 837 C GLY A 53 -1.506 12.741 3.492 1.00 0.00 C ATOM 838 O GLY A 53 -2.174 13.743 3.744 1.00 0.00 O ATOM 0 H GLY A 53 0.076 10.815 4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.025 13.160 4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.570 13.285 3.289 1.00 0.00 H new ATOM 842 N ARG A 54 -2.020 11.690 2.837 1.00 0.00 N ATOM 843 CA ARG A 54 -3.395 11.610 2.353 1.00 0.00 C ATOM 844 C ARG A 54 -4.080 10.329 2.841 1.00 0.00 C ATOM 845 O ARG A 54 -3.554 9.633 3.717 1.00 0.00 O ATOM 846 CB ARG A 54 -3.435 11.754 0.832 1.00 0.00 C ATOM 847 CG ARG A 54 -2.551 12.884 0.284 1.00 0.00 C ATOM 848 CD ARG A 54 -3.243 13.497 -0.922 1.00 0.00 C ATOM 849 NE ARG A 54 -2.316 14.289 -1.749 1.00 0.00 N ATOM 850 CZ ARG A 54 -2.430 15.592 -2.040 1.00 0.00 C ATOM 851 NH1 ARG A 54 -3.524 16.278 -1.719 1.00 0.00 N ATOM 852 NH2 ARG A 54 -1.431 16.213 -2.653 1.00 0.00 N ATOM 0 H ARG A 54 -1.473 10.855 2.627 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.962 12.442 2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.123 10.812 0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.465 11.930 0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.385 13.641 1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.572 12.496 0.002 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.683 12.705 -1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.062 14.133 -0.585 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.510 13.799 -2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.296 15.813 -1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.590 17.269 -1.950 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.585 15.699 -2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.509 17.205 -2.879 1.00 0.00 H new ATOM 866 N THR A 55 -5.244 10.020 2.269 1.00 0.00 N ATOM 867 CA THR A 55 -6.059 8.858 2.607 1.00 0.00 C ATOM 868 C THR A 55 -6.442 8.044 1.383 1.00 0.00 C ATOM 869 O THR A 55 -6.198 8.428 0.236 1.00 0.00 O ATOM 870 CB THR A 55 -7.362 9.288 3.318 1.00 0.00 C ATOM 871 OG1 THR A 55 -8.165 10.080 2.460 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.144 10.016 4.632 1.00 0.00 C ATOM 0 H THR A 55 -5.657 10.593 1.533 1.00 0.00 H new ATOM 0 HA THR A 55 -5.446 8.243 3.266 1.00 0.00 H new ATOM 0 HB THR A 55 -7.876 8.358 3.562 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.916 11.023 2.557 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.108 10.282 5.065 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.603 9.368 5.322 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.564 10.921 4.454 1.00 0.00 H new ATOM 880 N LEU A 56 -7.090 6.916 1.665 1.00 0.00 N ATOM 881 CA LEU A 56 -7.608 5.978 0.693 1.00 0.00 C ATOM 882 C LEU A 56 -8.667 6.688 -0.158 1.00 0.00 C ATOM 883 O LEU A 56 -8.701 6.499 -1.378 1.00 0.00 O ATOM 884 CB LEU A 56 -8.214 4.792 1.469 1.00 0.00 C ATOM 885 CG LEU A 56 -7.626 3.446 1.017 1.00 0.00 C ATOM 886 CD1 LEU A 56 -7.399 2.516 2.207 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.591 2.791 0.036 1.00 0.00 C ATOM 0 H LEU A 56 -7.273 6.625 2.625 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.828 5.610 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.033 4.927 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.295 4.781 1.328 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.663 3.627 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.983 1.572 1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.704 2.982 2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.348 2.330 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.183 1.835 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.552 2.628 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.729 3.441 -0.828 1.00 0.00 H new ATOM 899 N SER A 57 -9.520 7.507 0.479 1.00 0.00 N ATOM 900 CA SER A 57 -10.558 8.248 -0.222 1.00 0.00 C ATOM 901 C SER A 57 -9.895 9.347 -1.048 1.00 0.00 C ATOM 902 O SER A 57 -10.244 9.486 -2.217 1.00 0.00 O ATOM 903 CB SER A 57 -11.608 8.807 0.752 1.00 0.00 C ATOM 904 OG SER A 57 -12.786 9.237 0.079 1.00 0.00 O ATOM 0 H SER A 57 -9.503 7.667 1.486 1.00 0.00 H new ATOM 0 HA SER A 57 -11.099 7.579 -0.891 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.868 8.042 1.483 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.181 9.644 1.304 1.00 0.00 H new ATOM 0 HG SER A 57 -13.428 9.584 0.733 1.00 0.00 H new ATOM 910 N ASP A 58 -8.926 10.097 -0.497 1.00 0.00 N ATOM 911 CA ASP A 58 -8.240 11.171 -1.229 1.00 0.00 C ATOM 912 C ASP A 58 -7.668 10.617 -2.527 1.00 0.00 C ATOM 913 O ASP A 58 -7.919 11.177 -3.599 1.00 0.00 O ATOM 914 CB ASP A 58 -7.073 11.797 -0.451 1.00 0.00 C ATOM 915 CG ASP A 58 -7.482 12.791 0.630 1.00 0.00 C ATOM 916 OD1 ASP A 58 -7.299 12.483 1.829 1.00 0.00 O ATOM 917 OD2 ASP A 58 -7.915 13.917 0.291 1.00 0.00 O ATOM 0 H ASP A 58 -8.599 9.976 0.462 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.991 11.942 -1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.493 10.998 0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.414 12.301 -1.157 1.00 0.00 H new ATOM 922 N TYR A 59 -6.917 9.511 -2.445 1.00 0.00 N ATOM 923 CA TYR A 59 -6.306 8.863 -3.604 1.00 0.00 C ATOM 924 C TYR A 59 -7.340 8.187 -4.511 1.00 0.00 C ATOM 925 O TYR A 59 -6.983 7.690 -5.583 1.00 0.00 O ATOM 926 CB TYR A 59 -5.236 7.865 -3.140 1.00 0.00 C ATOM 927 CG TYR A 59 -3.942 8.443 -2.591 1.00 0.00 C ATOM 928 CD1 TYR A 59 -3.657 9.824 -2.614 1.00 0.00 C ATOM 929 CD2 TYR A 59 -2.979 7.557 -2.076 1.00 0.00 C ATOM 930 CE1 TYR A 59 -2.430 10.293 -2.128 1.00 0.00 C ATOM 931 CE2 TYR A 59 -1.738 8.028 -1.616 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.460 9.408 -1.629 1.00 0.00 C ATOM 933 OH TYR A 59 -0.295 9.901 -1.132 1.00 0.00 O ATOM 0 H TYR A 59 -6.717 9.040 -1.563 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.833 9.638 -4.206 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.676 7.230 -2.371 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.988 7.219 -3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.384 10.519 -3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.196 6.500 -2.034 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.226 11.354 -2.137 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.997 7.331 -1.252 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.142 9.537 -0.235 1.00 0.00 H new ATOM 943 N ASN A 60 -8.614 8.210 -4.113 1.00 0.00 N ATOM 944 CA ASN A 60 -9.783 7.659 -4.772 1.00 0.00 C ATOM 945 C ASN A 60 -9.492 6.260 -5.304 1.00 0.00 C ATOM 946 O ASN A 60 -9.523 5.991 -6.508 1.00 0.00 O ATOM 947 CB ASN A 60 -10.298 8.645 -5.819 1.00 0.00 C ATOM 948 CG ASN A 60 -11.568 8.123 -6.416 1.00 0.00 C ATOM 949 OD1 ASN A 60 -12.530 7.807 -5.731 1.00 0.00 O ATOM 950 ND2 ASN A 60 -11.544 7.905 -7.705 1.00 0.00 N ATOM 0 H ASN A 60 -8.869 8.661 -3.234 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.595 7.526 -4.058 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.472 9.619 -5.362 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.549 8.788 -6.598 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.341 7.461 -8.162 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.729 8.179 -8.253 1.00 0.00 H new ATOM 957 N ILE A 61 -9.159 5.379 -4.371 1.00 0.00 N ATOM 958 CA ILE A 61 -8.822 3.984 -4.600 1.00 0.00 C ATOM 959 C ILE A 61 -10.098 3.201 -4.327 1.00 0.00 C ATOM 960 O ILE A 61 -10.618 3.252 -3.213 1.00 0.00 O ATOM 961 CB ILE A 61 -7.658 3.570 -3.667 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.396 4.396 -3.991 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.374 2.060 -3.750 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.244 4.177 -3.011 1.00 0.00 C ATOM 0 H ILE A 61 -9.115 5.633 -3.384 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.478 3.792 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.955 3.782 -2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.058 4.145 -4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.658 5.454 -3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.551 1.807 -3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.265 1.505 -3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.105 1.796 -4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.394 4.792 -3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.563 4.456 -2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.953 3.127 -3.021 1.00 0.00 H new ATOM 976 N GLN A 62 -10.621 2.496 -5.328 1.00 0.00 N ATOM 977 CA GLN A 62 -11.829 1.695 -5.187 1.00 0.00 C ATOM 978 C GLN A 62 -11.507 0.412 -4.413 1.00 0.00 C ATOM 979 O GLN A 62 -10.332 0.061 -4.228 1.00 0.00 O ATOM 980 CB GLN A 62 -12.389 1.385 -6.580 1.00 0.00 C ATOM 981 CG GLN A 62 -13.117 2.584 -7.202 1.00 0.00 C ATOM 982 CD GLN A 62 -12.194 3.755 -7.513 1.00 0.00 C ATOM 983 OE1 GLN A 62 -11.474 3.762 -8.506 1.00 0.00 O ATOM 984 NE2 GLN A 62 -12.158 4.773 -6.674 1.00 0.00 N ATOM 0 H GLN A 62 -10.215 2.466 -6.263 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.585 2.244 -4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.574 1.079 -7.236 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.077 0.542 -6.512 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.609 2.265 -8.121 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.899 2.918 -6.521 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.754 4.773 -5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.534 5.560 -6.853 1.00 0.00 H new ATOM 993 N LYS A 63 -12.536 -0.260 -3.896 1.00 0.00 N ATOM 994 CA LYS A 63 -12.365 -1.491 -3.132 1.00 0.00 C ATOM 995 C LYS A 63 -11.858 -2.603 -4.044 1.00 0.00 C ATOM 996 O LYS A 63 -11.921 -2.501 -5.273 1.00 0.00 O ATOM 997 CB LYS A 63 -13.669 -1.881 -2.410 1.00 0.00 C ATOM 998 CG LYS A 63 -14.871 -2.055 -3.351 1.00 0.00 C ATOM 999 CD LYS A 63 -16.057 -2.680 -2.614 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.292 -2.727 -3.518 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.414 -3.456 -2.893 1.00 0.00 N ATOM 0 H LYS A 63 -13.507 0.034 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.616 -1.327 -2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.508 -2.812 -1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.906 -1.116 -1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.161 -1.087 -3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.589 -2.685 -4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.799 -3.688 -2.289 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.279 -2.103 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.607 -1.710 -3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.031 -3.205 -4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.228 -3.462 -3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.124 -4.434 -2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.682 -2.986 -2.005 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.361 -3.669 -3.425 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.822 -4.872 -4.053 1.00 0.00 C ATOM 1017 C GLU A 64 -9.848 -4.585 -5.206 1.00 0.00 C ATOM 1018 O GLU A 64 -9.832 -5.288 -6.226 1.00 0.00 O ATOM 1019 CB GLU A 64 -11.963 -5.841 -4.385 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.670 -6.275 -3.100 1.00 0.00 C ATOM 1021 CD GLU A 64 -13.690 -7.377 -3.350 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -14.896 -7.131 -3.126 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -13.301 -8.521 -3.682 1.00 0.00 O ATOM 0 H GLU A 64 -11.321 -3.720 -2.407 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.180 -5.380 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.674 -5.362 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.570 -6.714 -4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.930 -6.624 -2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.169 -5.415 -2.653 1.00 0.00 H new ATOM 1030 N SER A 65 -9.071 -3.509 -5.053 1.00 0.00 N ATOM 1031 CA SER A 65 -8.051 -3.054 -5.987 1.00 0.00 C ATOM 1032 C SER A 65 -6.817 -3.964 -5.857 1.00 0.00 C ATOM 1033 O SER A 65 -6.871 -4.932 -5.096 1.00 0.00 O ATOM 1034 CB SER A 65 -7.788 -1.562 -5.753 1.00 0.00 C ATOM 1035 OG SER A 65 -7.941 -1.174 -4.402 1.00 0.00 O ATOM 0 H SER A 65 -9.144 -2.906 -4.233 1.00 0.00 H new ATOM 0 HA SER A 65 -8.373 -3.136 -7.025 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.776 -1.322 -6.081 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.470 -0.978 -6.371 1.00 0.00 H new ATOM 0 HG SER A 65 -8.838 -0.803 -4.268 1.00 0.00 H new ATOM 1041 N THR A 66 -5.723 -3.711 -6.586 1.00 0.00 N ATOM 1042 CA THR A 66 -4.549 -4.577 -6.516 1.00 0.00 C ATOM 1043 C THR A 66 -3.390 -3.622 -6.521 1.00 0.00 C ATOM 1044 O THR A 66 -2.987 -3.130 -7.578 1.00 0.00 O ATOM 1045 CB THR A 66 -4.512 -5.587 -7.679 1.00 0.00 C ATOM 1046 OG1 THR A 66 -5.731 -6.284 -7.759 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.385 -6.615 -7.514 1.00 0.00 C ATOM 0 H THR A 66 -5.630 -2.921 -7.224 1.00 0.00 H new ATOM 0 HA THR A 66 -4.540 -5.209 -5.628 1.00 0.00 H new ATOM 0 HB THR A 66 -4.336 -5.012 -8.588 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.695 -6.921 -8.503 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.397 -7.306 -8.356 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.425 -6.100 -7.481 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.531 -7.170 -6.587 1.00 0.00 H new ATOM 1055 N LEU A 67 -2.919 -3.312 -5.325 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.835 -2.387 -5.124 1.00 0.00 C ATOM 1057 C LEU A 67 -0.532 -3.111 -5.421 1.00 0.00 C ATOM 1058 O LEU A 67 -0.399 -4.294 -5.089 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.910 -1.842 -3.682 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.944 -0.704 -3.508 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.389 -1.094 -3.858 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.935 -0.163 -2.082 1.00 0.00 C ATOM 0 H LEU A 67 -3.289 -3.705 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.897 -1.530 -5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.162 -2.659 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.926 -1.477 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.625 0.056 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.044 -0.236 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.439 -1.409 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.710 -1.914 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.672 0.635 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.182 -0.966 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.945 0.229 -1.848 1.00 0.00 H new ATOM 1074 N HIS A 68 0.422 -2.441 -6.065 1.00 0.00 N ATOM 1075 CA HIS A 68 1.712 -3.044 -6.397 1.00 0.00 C ATOM 1076 C HIS A 68 2.791 -2.566 -5.438 1.00 0.00 C ATOM 1077 O HIS A 68 2.848 -1.376 -5.134 1.00 0.00 O ATOM 1078 CB HIS A 68 2.134 -2.676 -7.827 1.00 0.00 C ATOM 1079 CG HIS A 68 2.462 -3.871 -8.680 1.00 0.00 C ATOM 1080 ND1 HIS A 68 3.154 -5.000 -8.289 1.00 0.00 N ATOM 1081 CD2 HIS A 68 2.178 -3.977 -10.009 1.00 0.00 C ATOM 1082 CE1 HIS A 68 3.284 -5.769 -9.389 1.00 0.00 C ATOM 1083 NE2 HIS A 68 2.710 -5.187 -10.455 1.00 0.00 N ATOM 0 H HIS A 68 0.324 -1.472 -6.369 1.00 0.00 H new ATOM 0 HA HIS A 68 1.598 -4.125 -6.315 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.331 -2.110 -8.300 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.004 -2.020 -7.784 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.640 -3.256 -10.607 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.784 -6.726 -9.410 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.671 -5.557 -11.405 1.00 0.00 H new ATOM 1090 N LEU A 69 3.625 -3.476 -4.935 1.00 0.00 N ATOM 1091 CA LEU A 69 4.724 -3.108 -4.050 1.00 0.00 C ATOM 1092 C LEU A 69 5.984 -2.978 -4.904 1.00 0.00 C ATOM 1093 O LEU A 69 6.146 -3.657 -5.922 1.00 0.00 O ATOM 1094 CB LEU A 69 4.985 -4.171 -2.965 1.00 0.00 C ATOM 1095 CG LEU A 69 4.409 -3.887 -1.567 1.00 0.00 C ATOM 1096 CD1 LEU A 69 4.798 -5.007 -0.600 1.00 0.00 C ATOM 1097 CD2 LEU A 69 4.916 -2.566 -0.987 1.00 0.00 C ATOM 0 H LEU A 69 3.558 -4.475 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 69 4.463 -2.177 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.579 -5.120 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.063 -4.302 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 69 3.327 -3.827 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.385 -4.796 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.402 -5.955 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.884 -5.069 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.481 -2.411 0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.002 -2.598 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.627 -1.745 -1.644 1.00 0.00 H new ATOM 1109 N VAL A 70 6.877 -2.102 -4.465 1.00 0.00 N ATOM 1110 CA VAL A 70 8.177 -1.792 -5.044 1.00 0.00 C ATOM 1111 C VAL A 70 9.043 -1.255 -3.901 1.00 0.00 C ATOM 1112 O VAL A 70 8.567 -1.123 -2.765 1.00 0.00 O ATOM 1113 CB VAL A 70 8.083 -0.771 -6.199 1.00 0.00 C ATOM 1114 CG1 VAL A 70 7.521 -1.375 -7.489 1.00 0.00 C ATOM 1115 CG2 VAL A 70 7.273 0.478 -5.835 1.00 0.00 C ATOM 0 H VAL A 70 6.697 -1.546 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 70 8.612 -2.688 -5.488 1.00 0.00 H new ATOM 0 HB VAL A 70 9.116 -0.473 -6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.480 -0.608 -8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.165 -2.190 -7.820 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.517 -1.758 -7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.245 1.155 -6.689 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.257 0.188 -5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.740 0.981 -4.988 1.00 0.00 H new ATOM 1125 N LEU A 71 10.314 -0.958 -4.161 1.00 0.00 N ATOM 1126 CA LEU A 71 11.231 -0.417 -3.170 1.00 0.00 C ATOM 1127 C LEU A 71 12.014 0.719 -3.794 1.00 0.00 C ATOM 1128 O LEU A 71 12.170 0.797 -5.015 1.00 0.00 O ATOM 1129 CB LEU A 71 12.147 -1.503 -2.577 1.00 0.00 C ATOM 1130 CG LEU A 71 13.157 -2.192 -3.520 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.475 -1.421 -3.692 1.00 0.00 C ATOM 1132 CD2 LEU A 71 13.509 -3.564 -2.936 1.00 0.00 C ATOM 0 H LEU A 71 10.738 -1.089 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 71 10.658 -0.028 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.708 -1.056 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.512 -2.276 -2.145 1.00 0.00 H new ATOM 0 HG LEU A 71 12.676 -2.250 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.131 -1.969 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.268 -0.435 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.962 -1.312 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.222 -4.066 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.950 -3.436 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.605 -4.168 -2.854 1.00 0.00 H new ATOM 1144 N ARG A 72 12.481 1.627 -2.946 1.00 0.00 N ATOM 1145 CA ARG A 72 13.283 2.779 -3.313 1.00 0.00 C ATOM 1146 C ARG A 72 14.050 3.219 -2.075 1.00 0.00 C ATOM 1147 O ARG A 72 13.725 2.773 -0.976 1.00 0.00 O ATOM 1148 CB ARG A 72 12.393 3.895 -3.859 1.00 0.00 C ATOM 1149 CG ARG A 72 13.251 4.879 -4.658 1.00 0.00 C ATOM 1150 CD ARG A 72 12.362 5.713 -5.549 1.00 0.00 C ATOM 1151 NE ARG A 72 13.138 6.759 -6.226 1.00 0.00 N ATOM 1152 CZ ARG A 72 13.069 7.181 -7.490 1.00 0.00 C ATOM 1153 NH1 ARG A 72 12.258 6.615 -8.375 1.00 0.00 N ATOM 1154 NH2 ARG A 72 13.858 8.178 -7.861 1.00 0.00 N ATOM 0 H ARG A 72 12.302 1.575 -1.943 1.00 0.00 H new ATOM 0 HA ARG A 72 13.988 2.527 -4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.613 3.476 -4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.894 4.412 -3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.812 5.523 -3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.981 4.337 -5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.880 5.075 -6.289 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.569 6.168 -4.956 1.00 0.00 H new ATOM 0 HE ARG A 72 13.831 7.232 -5.646 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.664 5.834 -8.096 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.228 6.961 -9.334 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.496 8.601 -7.187 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.828 8.522 -8.821 1.00 0.00 H new ATOM 1168 N LEU A 73 15.068 4.058 -2.247 1.00 0.00 N ATOM 1169 CA LEU A 73 15.912 4.557 -1.164 1.00 0.00 C ATOM 1170 C LEU A 73 16.726 5.760 -1.631 1.00 0.00 C ATOM 1171 O LEU A 73 16.860 5.995 -2.838 1.00 0.00 O ATOM 1172 CB LEU A 73 16.917 3.439 -0.800 1.00 0.00 C ATOM 1173 CG LEU A 73 17.116 3.127 0.699 1.00 0.00 C ATOM 1174 CD1 LEU A 73 17.620 4.321 1.514 1.00 0.00 C ATOM 1175 CD2 LEU A 73 15.845 2.584 1.351 1.00 0.00 C ATOM 0 H LEU A 73 15.335 4.418 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 73 15.283 4.843 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.596 2.523 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.886 3.707 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 73 17.890 2.359 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 73 17.736 4.027 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.582 4.650 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 73 16.901 5.138 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.035 2.380 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 73 15.047 3.321 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.545 1.663 0.851 1.00 0.00 H new ATOM 1187 N ARG A 74 17.275 6.524 -0.685 1.00 0.00 N ATOM 1188 CA ARG A 74 18.128 7.666 -0.989 1.00 0.00 C ATOM 1189 C ARG A 74 19.483 7.121 -1.439 1.00 0.00 C ATOM 1190 O ARG A 74 19.764 5.928 -1.293 1.00 0.00 O ATOM 1191 CB ARG A 74 18.273 8.611 0.216 1.00 0.00 C ATOM 1192 CG ARG A 74 18.912 7.955 1.451 1.00 0.00 C ATOM 1193 CD ARG A 74 19.930 8.881 2.130 1.00 0.00 C ATOM 1194 NE ARG A 74 20.522 8.224 3.298 1.00 0.00 N ATOM 1195 CZ ARG A 74 19.942 7.975 4.473 1.00 0.00 C ATOM 1196 NH1 ARG A 74 18.753 8.491 4.765 1.00 0.00 N ATOM 1197 NH2 ARG A 74 20.582 7.183 5.322 1.00 0.00 N ATOM 0 H ARG A 74 17.138 6.365 0.313 1.00 0.00 H new ATOM 0 HA ARG A 74 17.678 8.264 -1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 74 18.876 9.470 -0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 74 17.288 8.991 0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 74 18.132 7.688 2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 74 19.405 7.029 1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 74 20.713 9.152 1.422 1.00 0.00 H new ATOM 0 HD3 ARG A 74 19.442 9.807 2.435 1.00 0.00 H new ATOM 0 HE ARG A 74 21.491 7.922 3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 74 18.274 9.084 4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.319 8.294 5.667 1.00 0.00 H new ATOM 0 HH21 ARG A 74 21.487 6.787 5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 74 20.170 6.970 6.230 1.00 0.00 H new ATOM 1211 N GLY A 75 20.348 7.987 -1.948 1.00 0.00 N ATOM 1212 CA GLY A 75 21.670 7.604 -2.407 1.00 0.00 C ATOM 1213 C GLY A 75 22.657 7.578 -1.250 1.00 0.00 C ATOM 1214 O GLY A 75 23.737 8.151 -1.385 1.00 0.00 O ATOM 0 H GLY A 75 20.148 8.982 -2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 75 21.626 6.621 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 75 22.013 8.305 -3.168 1.00 0.00 H new ATOM 1218 N GLY A 76 22.280 6.992 -0.112 1.00 0.00 N ATOM 1219 CA GLY A 76 23.127 6.903 1.066 1.00 0.00 C ATOM 1220 C GLY A 76 22.489 6.011 2.101 1.00 0.00 C ATOM 1221 O GLY A 76 21.906 4.975 1.728 1.00 0.00 O ATOM 0 H GLY A 76 21.364 6.562 0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 76 24.106 6.510 0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 76 23.289 7.897 1.482 1.00 0.00 H new TER 1225 GLY A 76