USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 470 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 Single : A 1 MET CE :methyl -178:sc= -4.66! (180deg=-4.74!) USER MOD Single : A 1 MET N :NH3+ 154:sc= -2.04 (180deg=-4.39!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -143:sc= -0.337 (180deg=-2.32!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 153:sc= 1.12 (180deg=0.855) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -2.38! C(o=-3!,f=-2.4!) USER MOD Single : A 25 TYR OH : rot 35:sc= -3.34! USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.025) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.157! F(o=-1.9,f=-0.16!) USER MOD Single : A 40 THR OG1 : rot -140:sc= -4.72! USER MOD Single : A 43 ASN :FLIP amide:sc= -2.44 F(o=-3,f=-2.4) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.294 K(o=-0.29,f=-2.8!) USER MOD Single : A 51 LYS NZ :NH3+ 142:sc= -0.633 (180deg=-2.96!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -2.81! C(o=-2.8!,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.179 7.951 -3.373 1.00 0.00 N ATOM 2 CA MET A 1 -7.998 7.352 -2.692 1.00 0.00 C ATOM 3 C MET A 1 -7.172 6.517 -3.679 1.00 0.00 C ATOM 4 O MET A 1 -7.473 5.365 -3.921 1.00 0.00 O ATOM 5 CB MET A 1 -8.583 6.456 -1.585 1.00 0.00 C ATOM 6 CG MET A 1 -7.550 6.301 -0.466 1.00 0.00 C ATOM 7 SD MET A 1 -8.289 6.794 1.111 1.00 0.00 S ATOM 8 CE MET A 1 -7.532 5.500 2.120 1.00 0.00 C ATOM 0 H1 MET A 1 -9.932 8.122 -2.676 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.905 8.851 -3.815 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.526 7.298 -4.104 1.00 0.00 H new ATOM 0 HA MET A 1 -7.330 8.114 -2.290 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.500 6.895 -1.192 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.846 5.479 -1.992 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.209 5.267 -0.412 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.675 6.915 -0.677 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.882 5.589 3.148 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.809 4.522 1.726 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.448 5.607 2.095 1.00 0.00 H new ATOM 20 N LYS A 2 -6.114 7.067 -4.231 1.00 0.00 N ATOM 21 CA LYS A 2 -5.283 6.252 -5.158 1.00 0.00 C ATOM 22 C LYS A 2 -4.838 5.038 -4.373 1.00 0.00 C ATOM 23 O LYS A 2 -4.750 5.091 -3.163 1.00 0.00 O ATOM 24 CB LYS A 2 -4.101 7.124 -5.558 1.00 0.00 C ATOM 25 CG LYS A 2 -4.408 7.805 -6.889 1.00 0.00 C ATOM 26 CD LYS A 2 -3.472 8.997 -7.083 1.00 0.00 C ATOM 27 CE LYS A 2 -4.255 10.296 -6.898 1.00 0.00 C ATOM 28 NZ LYS A 2 -3.449 11.333 -7.600 1.00 0.00 N ATOM 0 H LYS A 2 -5.800 8.026 -4.080 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.807 5.927 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.909 7.872 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.199 6.518 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.286 7.097 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.446 8.138 -6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.652 8.949 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.028 8.966 -8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.255 10.218 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.376 10.537 -5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.922 12.255 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.504 11.389 -7.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.357 11.080 -8.604 1.00 0.00 H new ATOM 42 N VAL A 3 -4.640 3.921 -4.995 1.00 0.00 N ATOM 43 CA VAL A 3 -4.316 2.744 -4.186 1.00 0.00 C ATOM 44 C VAL A 3 -3.177 1.891 -4.725 1.00 0.00 C ATOM 45 O VAL A 3 -3.148 1.494 -5.870 1.00 0.00 O ATOM 46 CB VAL A 3 -5.644 2.030 -4.217 1.00 0.00 C ATOM 47 CG1 VAL A 3 -5.471 0.540 -3.995 1.00 0.00 C ATOM 48 CG2 VAL A 3 -6.505 2.652 -3.140 1.00 0.00 C ATOM 0 H VAL A 3 -4.688 3.778 -6.004 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.938 2.990 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.117 2.139 -5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.445 0.052 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.836 0.127 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.007 0.368 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.480 2.164 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.023 2.526 -2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.634 3.715 -3.346 1.00 0.00 H new ATOM 58 N ILE A 4 -2.258 1.585 -3.849 1.00 0.00 N ATOM 59 CA ILE A 4 -1.110 0.741 -4.188 1.00 0.00 C ATOM 60 C ILE A 4 -1.387 -0.680 -3.682 1.00 0.00 C ATOM 61 O ILE A 4 -1.171 -0.988 -2.526 1.00 0.00 O ATOM 62 CB ILE A 4 0.043 1.385 -3.400 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.775 2.396 -4.309 1.00 0.00 C ATOM 64 CG2 ILE A 4 0.980 0.296 -2.876 1.00 0.00 C ATOM 65 CD1 ILE A 4 2.268 2.062 -4.464 1.00 0.00 C ATOM 0 H ILE A 4 -2.270 1.905 -2.881 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.897 0.673 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.341 1.927 -2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.303 2.407 -5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.670 3.398 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.796 0.756 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.426 -0.376 -2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.387 -0.269 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.741 2.800 -5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.748 2.078 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.375 1.071 -4.905 1.00 0.00 H new ATOM 77 N PHE A 5 -1.834 -1.563 -4.515 1.00 0.00 N ATOM 78 CA PHE A 5 -2.047 -2.941 -4.011 1.00 0.00 C ATOM 79 C PHE A 5 -0.672 -3.537 -3.758 1.00 0.00 C ATOM 80 O PHE A 5 0.163 -3.521 -4.628 1.00 0.00 O ATOM 81 CB PHE A 5 -2.699 -3.722 -5.134 1.00 0.00 C ATOM 82 CG PHE A 5 -4.215 -3.640 -5.097 1.00 0.00 C ATOM 83 CD1 PHE A 5 -4.955 -4.588 -4.372 1.00 0.00 C ATOM 84 CD2 PHE A 5 -4.890 -2.656 -5.841 1.00 0.00 C ATOM 85 CE1 PHE A 5 -6.353 -4.557 -4.398 1.00 0.00 C ATOM 86 CE2 PHE A 5 -6.287 -2.623 -5.852 1.00 0.00 C ATOM 87 CZ PHE A 5 -7.017 -3.574 -5.137 1.00 0.00 C ATOM 0 H PHE A 5 -2.057 -1.402 -5.497 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.657 -2.963 -3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.341 -3.343 -6.091 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.393 -4.766 -5.071 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.443 -5.343 -3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.328 -1.925 -6.404 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.920 -5.293 -3.847 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.803 -1.860 -6.415 1.00 0.00 H new ATOM 0 HZ PHE A 5 -8.097 -3.550 -5.155 1.00 0.00 H new ATOM 97 N LEU A 6 -0.413 -4.066 -2.611 1.00 0.00 N ATOM 98 CA LEU A 6 0.925 -4.645 -2.380 1.00 0.00 C ATOM 99 C LEU A 6 0.990 -5.987 -3.088 1.00 0.00 C ATOM 100 O LEU A 6 2.032 -6.410 -3.547 1.00 0.00 O ATOM 101 CB LEU A 6 1.005 -4.842 -0.867 1.00 0.00 C ATOM 102 CG LEU A 6 0.790 -3.515 -0.127 1.00 0.00 C ATOM 103 CD1 LEU A 6 1.219 -2.321 -0.985 1.00 0.00 C ATOM 104 CD2 LEU A 6 -0.676 -3.356 0.268 1.00 0.00 C ATOM 0 H LEU A 6 -1.063 -4.124 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 6 1.740 -4.022 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.253 -5.565 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.977 -5.257 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 6 1.408 -3.537 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.054 -1.397 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.277 -2.412 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.632 -2.304 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.811 -2.410 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.297 -3.367 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.968 -4.178 0.922 1.00 0.00 H new ATOM 116 N LYS A 7 -0.130 -6.637 -3.216 1.00 0.00 N ATOM 117 CA LYS A 7 -0.148 -7.941 -3.929 1.00 0.00 C ATOM 118 C LYS A 7 -1.195 -7.914 -5.039 1.00 0.00 C ATOM 119 O LYS A 7 -2.031 -7.036 -5.097 1.00 0.00 O ATOM 120 CB LYS A 7 -0.495 -8.982 -2.871 1.00 0.00 C ATOM 121 CG LYS A 7 0.802 -9.507 -2.259 1.00 0.00 C ATOM 122 CD LYS A 7 0.887 -9.091 -0.788 1.00 0.00 C ATOM 123 CE LYS A 7 1.739 -10.101 -0.017 1.00 0.00 C ATOM 124 NZ LYS A 7 1.560 -9.737 1.416 1.00 0.00 N ATOM 0 H LYS A 7 -1.032 -6.323 -2.859 1.00 0.00 H new ATOM 0 HA LYS A 7 0.808 -8.166 -4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.126 -8.541 -2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.061 -9.800 -3.317 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.840 -10.593 -2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.658 -9.115 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.322 -8.095 -0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.112 -9.039 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.411 -11.123 -0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.787 -10.041 -0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.114 -10.385 2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.886 -8.762 1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.554 -9.809 1.670 1.00 0.00 H new ATOM 138 N ASP A 8 -1.143 -8.862 -5.928 1.00 0.00 N ATOM 139 CA ASP A 8 -2.127 -8.879 -7.047 1.00 0.00 C ATOM 140 C ASP A 8 -3.475 -9.415 -6.565 1.00 0.00 C ATOM 141 O ASP A 8 -3.565 -10.138 -5.593 1.00 0.00 O ATOM 142 CB ASP A 8 -1.492 -9.779 -8.126 1.00 0.00 C ATOM 143 CG ASP A 8 -2.399 -10.966 -8.476 1.00 0.00 C ATOM 144 OD1 ASP A 8 -2.373 -11.942 -7.745 1.00 0.00 O ATOM 145 OD2 ASP A 8 -3.099 -10.876 -9.470 1.00 0.00 O ATOM 0 H ASP A 8 -0.465 -9.624 -5.931 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.332 -7.884 -7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.298 -9.191 -9.023 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.529 -10.148 -7.773 1.00 0.00 H new ATOM 150 N VAL A 9 -4.521 -9.065 -7.250 1.00 0.00 N ATOM 151 CA VAL A 9 -5.874 -9.549 -6.853 1.00 0.00 C ATOM 152 C VAL A 9 -6.383 -10.530 -7.908 1.00 0.00 C ATOM 153 O VAL A 9 -5.835 -10.622 -8.986 1.00 0.00 O ATOM 154 CB VAL A 9 -6.768 -8.304 -6.806 1.00 0.00 C ATOM 155 CG1 VAL A 9 -7.937 -8.552 -5.851 1.00 0.00 C ATOM 156 CG2 VAL A 9 -5.966 -7.094 -6.313 1.00 0.00 C ATOM 0 H VAL A 9 -4.501 -8.462 -8.072 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.865 -10.062 -5.892 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.143 -8.101 -7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.573 -7.667 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.519 -9.404 -6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.553 -8.761 -4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.612 -6.217 -6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.582 -7.295 -5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.133 -6.909 -6.991 1.00 0.00 H new ATOM 166 N LYS A 10 -7.417 -11.265 -7.611 1.00 0.00 N ATOM 167 CA LYS A 10 -7.946 -12.240 -8.609 1.00 0.00 C ATOM 168 C LYS A 10 -8.291 -11.526 -9.919 1.00 0.00 C ATOM 169 O LYS A 10 -9.427 -11.176 -10.169 1.00 0.00 O ATOM 170 CB LYS A 10 -9.204 -12.825 -7.964 1.00 0.00 C ATOM 171 CG LYS A 10 -10.131 -11.683 -7.541 1.00 0.00 C ATOM 172 CD LYS A 10 -10.737 -11.991 -6.169 1.00 0.00 C ATOM 173 CE LYS A 10 -11.052 -10.676 -5.442 1.00 0.00 C ATOM 174 NZ LYS A 10 -12.412 -10.859 -4.852 1.00 0.00 N ATOM 0 H LYS A 10 -7.919 -11.235 -6.724 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.219 -13.014 -8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.715 -13.483 -8.667 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.935 -13.431 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.575 -10.746 -7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.923 -11.553 -8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.646 -12.581 -6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.042 -12.588 -5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.313 -10.470 -4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.034 -9.833 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.688 -9.996 -4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.098 -11.046 -5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.399 -11.663 -4.192 1.00 0.00 H new ATOM 188 N GLY A 11 -7.313 -11.311 -10.757 1.00 0.00 N ATOM 189 CA GLY A 11 -7.571 -10.624 -12.054 1.00 0.00 C ATOM 190 C GLY A 11 -8.105 -9.213 -11.801 1.00 0.00 C ATOM 191 O GLY A 11 -9.092 -8.803 -12.380 1.00 0.00 O ATOM 0 H GLY A 11 -6.343 -11.583 -10.598 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.652 -10.575 -12.638 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.291 -11.195 -12.640 1.00 0.00 H new ATOM 195 N LYS A 12 -7.466 -8.463 -10.944 1.00 0.00 N ATOM 196 CA LYS A 12 -7.957 -7.078 -10.673 1.00 0.00 C ATOM 197 C LYS A 12 -6.788 -6.104 -10.463 1.00 0.00 C ATOM 198 O LYS A 12 -6.628 -5.151 -11.201 1.00 0.00 O ATOM 199 CB LYS A 12 -8.797 -7.203 -9.404 1.00 0.00 C ATOM 200 CG LYS A 12 -10.279 -7.080 -9.765 1.00 0.00 C ATOM 201 CD LYS A 12 -10.785 -5.688 -9.380 1.00 0.00 C ATOM 202 CE LYS A 12 -12.091 -5.393 -10.120 1.00 0.00 C ATOM 203 NZ LYS A 12 -11.751 -5.519 -11.566 1.00 0.00 N ATOM 0 H LYS A 12 -6.634 -8.744 -10.424 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.531 -6.679 -11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.607 -8.161 -8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.519 -6.426 -8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.419 -7.247 -10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.856 -7.845 -9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.945 -5.633 -8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.036 -4.936 -9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.874 -6.097 -9.836 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.460 -4.394 -9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.272 -4.801 -12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.729 -5.377 -11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.014 -6.467 -11.903 1.00 0.00 H new ATOM 217 N GLY A 13 -5.974 -6.324 -9.464 1.00 0.00 N ATOM 218 CA GLY A 13 -4.828 -5.400 -9.218 1.00 0.00 C ATOM 219 C GLY A 13 -3.514 -6.181 -9.279 1.00 0.00 C ATOM 220 O GLY A 13 -3.497 -7.393 -9.199 1.00 0.00 O ATOM 0 H GLY A 13 -6.053 -7.102 -8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.824 -4.604 -9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.935 -4.924 -8.243 1.00 0.00 H new ATOM 224 N LYS A 14 -2.415 -5.497 -9.434 1.00 0.00 N ATOM 225 CA LYS A 14 -1.100 -6.201 -9.522 1.00 0.00 C ATOM 226 C LYS A 14 -0.157 -5.767 -8.388 1.00 0.00 C ATOM 227 O LYS A 14 -0.470 -4.912 -7.585 1.00 0.00 O ATOM 228 CB LYS A 14 -0.525 -5.784 -10.881 1.00 0.00 C ATOM 229 CG LYS A 14 -1.635 -5.796 -11.937 1.00 0.00 C ATOM 230 CD LYS A 14 -1.200 -6.634 -13.143 1.00 0.00 C ATOM 231 CE LYS A 14 -2.175 -6.403 -14.301 1.00 0.00 C ATOM 232 NZ LYS A 14 -1.315 -6.155 -15.491 1.00 0.00 N ATOM 0 H LYS A 14 -2.368 -4.480 -9.504 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.214 -7.281 -9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.087 -4.788 -10.811 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.275 -6.465 -11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.550 -6.206 -11.510 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.859 -4.777 -12.253 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.189 -6.360 -13.444 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.178 -7.691 -12.877 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.818 -7.270 -14.453 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.828 -5.553 -14.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.915 -5.988 -16.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.719 -5.320 -15.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.710 -6.983 -15.661 1.00 0.00 H new ATOM 246 N LYS A 15 1.002 -6.368 -8.334 1.00 0.00 N ATOM 247 CA LYS A 15 2.014 -6.037 -7.281 1.00 0.00 C ATOM 248 C LYS A 15 2.173 -4.517 -7.090 1.00 0.00 C ATOM 249 O LYS A 15 2.333 -3.782 -8.043 1.00 0.00 O ATOM 250 CB LYS A 15 3.311 -6.651 -7.821 1.00 0.00 C ATOM 251 CG LYS A 15 4.005 -5.677 -8.789 1.00 0.00 C ATOM 252 CD LYS A 15 3.085 -5.356 -9.976 1.00 0.00 C ATOM 253 CE LYS A 15 3.656 -4.166 -10.750 1.00 0.00 C ATOM 254 NZ LYS A 15 2.712 -3.047 -10.476 1.00 0.00 N ATOM 0 H LYS A 15 1.298 -7.091 -8.989 1.00 0.00 H new ATOM 0 HA LYS A 15 1.727 -6.421 -6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.980 -6.889 -6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.091 -7.588 -8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.267 -4.758 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.936 -6.114 -9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.000 -6.224 -10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.081 -5.126 -9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.665 -3.924 -10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.717 -4.380 -11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.216 -2.141 -10.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.934 -3.072 -11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.326 -3.146 -9.515 1.00 0.00 H new ATOM 268 N GLY A 16 2.155 -4.056 -5.854 1.00 0.00 N ATOM 269 CA GLY A 16 2.320 -2.582 -5.575 1.00 0.00 C ATOM 270 C GLY A 16 1.696 -1.762 -6.701 1.00 0.00 C ATOM 271 O GLY A 16 2.170 -0.694 -7.032 1.00 0.00 O ATOM 0 H GLY A 16 2.033 -4.637 -5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.848 -2.329 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.378 -2.338 -5.480 1.00 0.00 H new ATOM 275 N GLU A 17 0.645 -2.250 -7.302 1.00 0.00 N ATOM 276 CA GLU A 17 0.023 -1.480 -8.413 1.00 0.00 C ATOM 277 C GLU A 17 -0.658 -0.229 -7.853 1.00 0.00 C ATOM 278 O GLU A 17 -1.474 -0.289 -6.960 1.00 0.00 O ATOM 279 CB GLU A 17 -0.970 -2.447 -9.075 1.00 0.00 C ATOM 280 CG GLU A 17 -2.225 -2.610 -8.217 1.00 0.00 C ATOM 281 CD GLU A 17 -3.443 -2.144 -9.010 1.00 0.00 C ATOM 282 OE1 GLU A 17 -3.775 -2.800 -9.984 1.00 0.00 O ATOM 283 OE2 GLU A 17 -4.020 -1.136 -8.637 1.00 0.00 O ATOM 0 H GLU A 17 0.196 -3.137 -7.075 1.00 0.00 H new ATOM 0 HA GLU A 17 0.747 -1.125 -9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.245 -2.074 -10.062 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.496 -3.418 -9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.345 -3.653 -7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.130 -2.029 -7.300 1.00 0.00 H new ATOM 290 N ILE A 18 -0.314 0.917 -8.355 1.00 0.00 N ATOM 291 CA ILE A 18 -0.944 2.153 -7.824 1.00 0.00 C ATOM 292 C ILE A 18 -1.995 2.659 -8.786 1.00 0.00 C ATOM 293 O ILE A 18 -1.729 3.071 -9.898 1.00 0.00 O ATOM 294 CB ILE A 18 0.165 3.182 -7.674 1.00 0.00 C ATOM 295 CG1 ILE A 18 1.479 2.503 -7.256 1.00 0.00 C ATOM 296 CG2 ILE A 18 -0.270 4.195 -6.619 1.00 0.00 C ATOM 297 CD1 ILE A 18 2.281 2.136 -8.508 1.00 0.00 C ATOM 0 H ILE A 18 0.368 1.054 -9.101 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.433 1.962 -6.869 1.00 0.00 H new ATOM 0 HB ILE A 18 0.341 3.683 -8.626 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.061 3.171 -6.621 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.269 1.608 -6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.510 4.946 -6.492 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.192 4.680 -6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.439 3.684 -5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.214 1.654 -8.214 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.698 1.453 -9.126 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.503 3.040 -9.076 1.00 0.00 H new ATOM 309 N LYS A 19 -3.184 2.636 -8.321 1.00 0.00 N ATOM 310 CA LYS A 19 -4.339 3.104 -9.101 1.00 0.00 C ATOM 311 C LYS A 19 -5.436 3.359 -8.099 1.00 0.00 C ATOM 312 O LYS A 19 -5.459 2.748 -7.054 1.00 0.00 O ATOM 313 CB LYS A 19 -4.704 1.951 -10.024 1.00 0.00 C ATOM 314 CG LYS A 19 -4.601 2.412 -11.478 1.00 0.00 C ATOM 315 CD LYS A 19 -6.004 2.650 -12.038 1.00 0.00 C ATOM 316 CE LYS A 19 -6.192 1.829 -13.314 1.00 0.00 C ATOM 317 NZ LYS A 19 -6.854 2.758 -14.271 1.00 0.00 N ATOM 0 H LYS A 19 -3.420 2.297 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.158 4.006 -9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.037 1.107 -9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.716 1.607 -9.811 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.013 3.328 -11.540 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.083 1.660 -12.073 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.754 2.369 -11.299 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.147 3.709 -12.251 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.236 1.477 -13.702 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.806 0.947 -13.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.018 2.268 -15.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.764 3.071 -13.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.243 3.584 -14.431 1.00 0.00 H new ATOM 331 N ASN A 20 -6.345 4.225 -8.360 1.00 0.00 N ATOM 332 CA ASN A 20 -7.385 4.442 -7.335 1.00 0.00 C ATOM 333 C ASN A 20 -8.511 3.464 -7.536 1.00 0.00 C ATOM 334 O ASN A 20 -9.140 3.376 -8.570 1.00 0.00 O ATOM 335 CB ASN A 20 -7.877 5.887 -7.489 1.00 0.00 C ATOM 336 CG ASN A 20 -8.234 6.172 -8.955 1.00 0.00 C ATOM 337 OD1 ASN A 20 -8.033 7.365 -9.443 1.00 0.00 O flip ATOM 338 ND2 ASN A 20 -8.695 5.304 -9.666 1.00 0.00 N flip ATOM 0 H ASN A 20 -6.421 4.782 -9.211 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.991 4.285 -6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.749 6.051 -6.856 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -7.105 6.580 -7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.855 4.369 -9.291 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.923 5.509 -10.639 1.00 0.00 H new ATOM 345 N VAL A 21 -8.778 2.746 -6.509 1.00 0.00 N ATOM 346 CA VAL A 21 -9.871 1.777 -6.540 1.00 0.00 C ATOM 347 C VAL A 21 -11.074 2.584 -6.137 1.00 0.00 C ATOM 348 O VAL A 21 -11.092 3.787 -6.316 1.00 0.00 O ATOM 349 CB VAL A 21 -9.463 0.767 -5.456 1.00 0.00 C ATOM 350 CG1 VAL A 21 -9.925 1.224 -4.076 1.00 0.00 C ATOM 351 CG2 VAL A 21 -10.009 -0.613 -5.762 1.00 0.00 C ATOM 0 H VAL A 21 -8.270 2.792 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.073 1.264 -7.480 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.374 0.713 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.622 0.490 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.473 2.188 -3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.011 1.322 -4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.705 -1.307 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.097 -0.572 -5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.618 -0.954 -6.721 1.00 0.00 H new ATOM 361 N ALA A 22 -12.030 2.009 -5.525 1.00 0.00 N ATOM 362 CA ALA A 22 -13.122 2.887 -5.067 1.00 0.00 C ATOM 363 C ALA A 22 -12.481 3.722 -3.977 1.00 0.00 C ATOM 364 O ALA A 22 -12.133 3.213 -2.932 1.00 0.00 O ATOM 365 CB ALA A 22 -14.216 1.997 -4.519 1.00 0.00 C ATOM 0 H ALA A 22 -12.117 1.013 -5.321 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.563 3.520 -5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.045 2.613 -4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.568 1.327 -5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.825 1.409 -3.689 1.00 0.00 H new ATOM 371 N ASP A 23 -12.246 4.973 -4.246 1.00 0.00 N ATOM 372 CA ASP A 23 -11.559 5.846 -3.275 1.00 0.00 C ATOM 373 C ASP A 23 -11.854 5.428 -1.831 1.00 0.00 C ATOM 374 O ASP A 23 -11.019 5.556 -0.961 1.00 0.00 O ATOM 375 CB ASP A 23 -12.139 7.219 -3.579 1.00 0.00 C ATOM 376 CG ASP A 23 -11.711 7.673 -4.979 1.00 0.00 C ATOM 377 OD1 ASP A 23 -10.810 7.063 -5.530 1.00 0.00 O ATOM 378 OD2 ASP A 23 -12.297 8.621 -5.478 1.00 0.00 O ATOM 0 H ASP A 23 -12.509 5.431 -5.118 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.473 5.806 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.227 7.185 -3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.799 7.939 -2.835 1.00 0.00 H new ATOM 383 N GLY A 24 -13.016 4.910 -1.563 1.00 0.00 N ATOM 384 CA GLY A 24 -13.309 4.477 -0.168 1.00 0.00 C ATOM 385 C GLY A 24 -13.051 2.970 -0.052 1.00 0.00 C ATOM 386 O GLY A 24 -12.532 2.490 0.937 1.00 0.00 O ATOM 0 H GLY A 24 -13.768 4.768 -2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.681 5.022 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.344 4.703 0.087 1.00 0.00 H new ATOM 390 N TYR A 25 -13.357 2.233 -1.085 1.00 0.00 N ATOM 391 CA TYR A 25 -13.082 0.762 -1.080 1.00 0.00 C ATOM 392 C TYR A 25 -11.670 0.607 -0.602 1.00 0.00 C ATOM 393 O TYR A 25 -11.383 -0.032 0.393 1.00 0.00 O ATOM 394 CB TYR A 25 -13.176 0.413 -2.571 1.00 0.00 C ATOM 395 CG TYR A 25 -12.468 -0.873 -3.000 1.00 0.00 C ATOM 396 CD1 TYR A 25 -11.789 -1.703 -2.107 1.00 0.00 C ATOM 397 CD2 TYR A 25 -12.511 -1.233 -4.361 1.00 0.00 C ATOM 398 CE1 TYR A 25 -11.185 -2.863 -2.563 1.00 0.00 C ATOM 399 CE2 TYR A 25 -11.895 -2.403 -4.807 1.00 0.00 C ATOM 400 CZ TYR A 25 -11.235 -3.219 -3.906 1.00 0.00 C ATOM 401 OH TYR A 25 -10.636 -4.384 -4.337 1.00 0.00 O ATOM 0 H TYR A 25 -13.789 2.586 -1.939 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.738 0.148 -0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -14.229 0.333 -2.840 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.763 1.242 -3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.735 -1.441 -1.061 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.026 -0.597 -5.066 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.666 -3.502 -1.863 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.933 -2.671 -5.853 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.724 -5.072 -3.645 1.00 0.00 H new ATOM 411 N ALA A 26 -10.800 1.209 -1.333 1.00 0.00 N ATOM 412 CA ALA A 26 -9.353 1.168 -0.997 1.00 0.00 C ATOM 413 C ALA A 26 -9.135 1.026 0.518 1.00 0.00 C ATOM 414 O ALA A 26 -8.486 0.105 0.965 1.00 0.00 O ATOM 415 CB ALA A 26 -8.835 2.526 -1.495 1.00 0.00 C ATOM 0 H ALA A 26 -11.027 1.743 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.840 0.319 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.766 2.603 -1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.011 2.611 -2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.360 3.328 -0.976 1.00 0.00 H new ATOM 421 N ASN A 27 -9.653 1.929 1.310 1.00 0.00 N ATOM 422 CA ASN A 27 -9.427 1.838 2.788 1.00 0.00 C ATOM 423 C ASN A 27 -10.360 0.843 3.482 1.00 0.00 C ATOM 424 O ASN A 27 -9.975 0.196 4.435 1.00 0.00 O ATOM 425 CB ASN A 27 -9.695 3.242 3.320 1.00 0.00 C ATOM 426 CG ASN A 27 -9.419 3.283 4.813 1.00 0.00 C ATOM 427 OD1 ASN A 27 -8.282 3.331 5.241 1.00 0.00 O ATOM 428 ND2 ASN A 27 -10.431 3.268 5.626 1.00 0.00 N ATOM 0 H ASN A 27 -10.219 2.720 1.003 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.417 1.481 2.987 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.063 3.964 2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.729 3.525 3.123 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.276 3.297 6.634 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.381 3.228 5.257 1.00 0.00 H new ATOM 435 N ASN A 28 -11.580 0.720 3.050 1.00 0.00 N ATOM 436 CA ASN A 28 -12.501 -0.231 3.739 1.00 0.00 C ATOM 437 C ASN A 28 -12.251 -1.666 3.266 1.00 0.00 C ATOM 438 O ASN A 28 -13.055 -2.550 3.484 1.00 0.00 O ATOM 439 CB ASN A 28 -13.907 0.233 3.363 1.00 0.00 C ATOM 440 CG ASN A 28 -14.893 -0.210 4.445 1.00 0.00 C ATOM 441 OD1 ASN A 28 -15.876 -0.864 4.158 1.00 0.00 O ATOM 442 ND2 ASN A 28 -14.670 0.122 5.688 1.00 0.00 N ATOM 0 H ASN A 28 -11.979 1.228 2.261 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.352 -0.235 4.819 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.928 1.318 3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -14.195 -0.186 2.399 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -15.321 -0.168 6.418 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -13.845 0.671 5.929 1.00 0.00 H new ATOM 449 N PHE A 29 -11.142 -1.902 2.621 1.00 0.00 N ATOM 450 CA PHE A 29 -10.840 -3.273 2.137 1.00 0.00 C ATOM 451 C PHE A 29 -9.328 -3.415 1.865 1.00 0.00 C ATOM 452 O PHE A 29 -8.545 -3.653 2.763 1.00 0.00 O ATOM 453 CB PHE A 29 -11.656 -3.406 0.839 1.00 0.00 C ATOM 454 CG PHE A 29 -11.364 -4.722 0.138 1.00 0.00 C ATOM 455 CD1 PHE A 29 -10.452 -5.637 0.671 1.00 0.00 C ATOM 456 CD2 PHE A 29 -11.980 -4.998 -1.087 1.00 0.00 C ATOM 457 CE1 PHE A 29 -10.160 -6.816 -0.012 1.00 0.00 C ATOM 458 CE2 PHE A 29 -11.688 -6.177 -1.773 1.00 0.00 C ATOM 459 CZ PHE A 29 -10.776 -7.088 -1.237 1.00 0.00 C ATOM 0 H PHE A 29 -10.432 -1.201 2.409 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.096 -4.048 2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -12.720 -3.341 1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.421 -2.576 0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.972 -5.430 1.616 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.685 -4.295 -1.504 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.456 -7.521 0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -12.167 -6.385 -2.718 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.547 -8.000 -1.767 1.00 0.00 H new ATOM 469 N LEU A 30 -8.946 -3.305 0.616 1.00 0.00 N ATOM 470 CA LEU A 30 -7.503 -3.467 0.200 1.00 0.00 C ATOM 471 C LEU A 30 -6.587 -3.039 1.315 1.00 0.00 C ATOM 472 O LEU A 30 -5.574 -3.649 1.597 1.00 0.00 O ATOM 473 CB LEU A 30 -7.281 -2.552 -1.021 1.00 0.00 C ATOM 474 CG LEU A 30 -8.475 -2.689 -1.928 1.00 0.00 C ATOM 475 CD1 LEU A 30 -8.398 -1.740 -3.125 1.00 0.00 C ATOM 476 CD2 LEU A 30 -8.581 -4.136 -2.429 1.00 0.00 C ATOM 0 H LEU A 30 -9.583 -3.105 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.289 -4.509 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.160 -1.516 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.369 -2.833 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.360 -2.425 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.280 -1.873 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.357 -0.710 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.503 -1.960 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.446 -4.231 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.677 -4.397 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.695 -4.808 -1.578 1.00 0.00 H new ATOM 488 N PHE A 31 -6.930 -1.967 1.924 1.00 0.00 N ATOM 489 CA PHE A 31 -6.092 -1.428 3.001 1.00 0.00 C ATOM 490 C PHE A 31 -6.300 -2.168 4.331 1.00 0.00 C ATOM 491 O PHE A 31 -5.362 -2.667 4.920 1.00 0.00 O ATOM 492 CB PHE A 31 -6.594 -0.016 3.073 1.00 0.00 C ATOM 493 CG PHE A 31 -6.215 0.727 1.801 1.00 0.00 C ATOM 494 CD1 PHE A 31 -5.593 0.070 0.711 1.00 0.00 C ATOM 495 CD2 PHE A 31 -6.465 2.095 1.723 1.00 0.00 C ATOM 496 CE1 PHE A 31 -5.236 0.806 -0.425 1.00 0.00 C ATOM 497 CE2 PHE A 31 -6.096 2.822 0.593 1.00 0.00 C ATOM 498 CZ PHE A 31 -5.482 2.179 -0.475 1.00 0.00 C ATOM 0 H PHE A 31 -7.771 -1.428 1.720 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.022 -1.523 2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.677 -0.011 3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.168 0.488 3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.396 -0.991 0.756 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.950 2.597 2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.770 0.311 -1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.287 3.884 0.547 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.194 2.745 -1.349 1.00 0.00 H new ATOM 508 N LYS A 32 -7.508 -2.228 4.820 1.00 0.00 N ATOM 509 CA LYS A 32 -7.749 -2.920 6.123 1.00 0.00 C ATOM 510 C LYS A 32 -7.892 -4.432 5.915 1.00 0.00 C ATOM 511 O LYS A 32 -8.299 -5.151 6.806 1.00 0.00 O ATOM 512 CB LYS A 32 -9.057 -2.318 6.645 1.00 0.00 C ATOM 513 CG LYS A 32 -9.140 -2.468 8.170 1.00 0.00 C ATOM 514 CD LYS A 32 -8.004 -1.683 8.834 1.00 0.00 C ATOM 515 CE LYS A 32 -8.592 -0.692 9.845 1.00 0.00 C ATOM 516 NZ LYS A 32 -7.779 -0.866 11.080 1.00 0.00 N ATOM 0 H LYS A 32 -8.337 -1.831 4.378 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.924 -2.783 6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.115 -1.264 6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.907 -2.815 6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.103 -2.104 8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.075 -3.521 8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.319 -2.367 9.335 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.426 -1.150 8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.531 0.331 9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.645 -0.901 10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.124 -0.219 11.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.861 -1.847 11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.782 -0.654 10.872 1.00 0.00 H new ATOM 530 N GLN A 33 -7.560 -4.928 4.751 1.00 0.00 N ATOM 531 CA GLN A 33 -7.685 -6.401 4.517 1.00 0.00 C ATOM 532 C GLN A 33 -6.331 -7.016 4.137 1.00 0.00 C ATOM 533 O GLN A 33 -6.126 -8.206 4.267 1.00 0.00 O ATOM 534 CB GLN A 33 -8.690 -6.546 3.376 1.00 0.00 C ATOM 535 CG GLN A 33 -10.111 -6.505 3.944 1.00 0.00 C ATOM 536 CD GLN A 33 -10.888 -7.732 3.467 1.00 0.00 C ATOM 537 OE1 GLN A 33 -11.035 -8.749 4.271 1.00 0.00 O flip ATOM 538 NE2 GLN A 33 -11.366 -7.769 2.350 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.212 -4.386 3.960 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.014 -6.924 5.415 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.553 -5.744 2.651 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.524 -7.485 2.847 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.078 -6.484 5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.616 -5.594 3.622 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.252 -6.975 1.720 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.881 -8.594 2.043 1.00 0.00 H new ATOM 547 N GLY A 34 -5.397 -6.216 3.694 1.00 0.00 N ATOM 548 CA GLY A 34 -4.055 -6.765 3.330 1.00 0.00 C ATOM 549 C GLY A 34 -3.906 -6.932 1.812 1.00 0.00 C ATOM 550 O GLY A 34 -3.340 -7.898 1.338 1.00 0.00 O ATOM 0 H GLY A 34 -5.503 -5.209 3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.276 -6.099 3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.911 -7.729 3.819 1.00 0.00 H new ATOM 554 N LEU A 35 -4.369 -5.982 1.047 1.00 0.00 N ATOM 555 CA LEU A 35 -4.214 -6.066 -0.436 1.00 0.00 C ATOM 556 C LEU A 35 -3.455 -4.839 -0.938 1.00 0.00 C ATOM 557 O LEU A 35 -2.556 -4.937 -1.755 1.00 0.00 O ATOM 558 CB LEU A 35 -5.620 -6.030 -1.031 1.00 0.00 C ATOM 559 CG LEU A 35 -6.557 -7.001 -0.313 1.00 0.00 C ATOM 560 CD1 LEU A 35 -7.124 -6.368 0.964 1.00 0.00 C ATOM 561 CD2 LEU A 35 -7.709 -7.344 -1.263 1.00 0.00 C ATOM 0 H LEU A 35 -4.850 -5.148 1.385 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.674 -6.970 -0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.020 -5.018 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.575 -6.283 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.004 -7.897 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.788 -7.077 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.306 -6.109 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.682 -5.468 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.392 -8.037 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.245 -6.433 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.311 -7.807 -2.166 1.00 0.00 H new ATOM 573 N ALA A 36 -3.852 -3.683 -0.471 1.00 0.00 N ATOM 574 CA ALA A 36 -3.218 -2.412 -0.918 1.00 0.00 C ATOM 575 C ALA A 36 -3.089 -1.423 0.237 1.00 0.00 C ATOM 576 O ALA A 36 -3.553 -1.659 1.331 1.00 0.00 O ATOM 577 CB ALA A 36 -4.227 -1.836 -1.906 1.00 0.00 C ATOM 0 H ALA A 36 -4.601 -3.567 0.212 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.221 -2.583 -1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.853 -0.890 -2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.373 -2.537 -2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.177 -1.668 -1.399 1.00 0.00 H new ATOM 583 N ILE A 37 -2.505 -0.287 -0.027 1.00 0.00 N ATOM 584 CA ILE A 37 -2.410 0.762 1.024 1.00 0.00 C ATOM 585 C ILE A 37 -2.768 2.105 0.390 1.00 0.00 C ATOM 586 O ILE A 37 -2.962 2.199 -0.804 1.00 0.00 O ATOM 587 CB ILE A 37 -0.975 0.762 1.532 1.00 0.00 C ATOM 588 CG1 ILE A 37 -0.014 0.771 0.351 1.00 0.00 C ATOM 589 CG2 ILE A 37 -0.732 -0.488 2.382 1.00 0.00 C ATOM 590 CD1 ILE A 37 0.097 2.188 -0.220 1.00 0.00 C ATOM 0 H ILE A 37 -2.090 -0.041 -0.925 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.090 0.578 1.856 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.807 1.651 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.968 0.419 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.365 0.085 -0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.296 -0.487 2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.417 -0.490 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.902 -1.378 1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.786 2.187 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.885 2.524 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.469 2.863 0.551 1.00 0.00 H new ATOM 602 N GLU A 38 -2.851 3.139 1.168 1.00 0.00 N ATOM 603 CA GLU A 38 -3.206 4.475 0.594 1.00 0.00 C ATOM 604 C GLU A 38 -2.116 4.934 -0.377 1.00 0.00 C ATOM 605 O GLU A 38 -1.013 5.244 0.028 1.00 0.00 O ATOM 606 CB GLU A 38 -3.288 5.404 1.807 1.00 0.00 C ATOM 607 CG GLU A 38 -3.139 6.860 1.365 1.00 0.00 C ATOM 608 CD GLU A 38 -3.993 7.754 2.267 1.00 0.00 C ATOM 609 OE1 GLU A 38 -3.974 7.542 3.469 1.00 0.00 O ATOM 610 OE2 GLU A 38 -4.653 8.635 1.741 1.00 0.00 O ATOM 0 H GLU A 38 -2.690 3.126 2.175 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.139 4.460 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.242 5.266 2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.505 5.151 2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.093 7.163 1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.450 6.970 0.326 1.00 0.00 H new ATOM 617 N ALA A 39 -2.398 4.986 -1.656 1.00 0.00 N ATOM 618 CA ALA A 39 -1.324 5.436 -2.598 1.00 0.00 C ATOM 619 C ALA A 39 -0.775 6.800 -2.162 1.00 0.00 C ATOM 620 O ALA A 39 -1.364 7.828 -2.427 1.00 0.00 O ATOM 621 CB ALA A 39 -1.981 5.559 -3.964 1.00 0.00 C ATOM 0 H ALA A 39 -3.294 4.745 -2.079 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.492 4.732 -2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.242 5.886 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.384 4.591 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.789 6.288 -3.915 1.00 0.00 H new ATOM 627 N THR A 40 0.350 6.813 -1.501 1.00 0.00 N ATOM 628 CA THR A 40 0.944 8.106 -1.055 1.00 0.00 C ATOM 629 C THR A 40 2.319 8.297 -1.713 1.00 0.00 C ATOM 630 O THR A 40 2.922 7.352 -2.171 1.00 0.00 O ATOM 631 CB THR A 40 1.064 7.975 0.472 1.00 0.00 C ATOM 632 OG1 THR A 40 0.963 9.252 1.079 1.00 0.00 O ATOM 633 CG2 THR A 40 2.396 7.319 0.856 1.00 0.00 C ATOM 0 H THR A 40 0.885 5.982 -1.250 1.00 0.00 H new ATOM 0 HA THR A 40 0.343 8.972 -1.333 1.00 0.00 H new ATOM 0 HB THR A 40 0.250 7.343 0.828 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.604 9.315 1.817 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.461 7.236 1.941 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.454 6.325 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.221 7.929 0.489 1.00 0.00 H new ATOM 641 N PRO A 41 2.762 9.518 -1.736 1.00 0.00 N ATOM 642 CA PRO A 41 4.078 9.806 -2.348 1.00 0.00 C ATOM 643 C PRO A 41 5.152 8.859 -1.794 1.00 0.00 C ATOM 644 O PRO A 41 5.746 8.091 -2.522 1.00 0.00 O ATOM 645 CB PRO A 41 4.350 11.242 -1.919 1.00 0.00 C ATOM 646 CG PRO A 41 3.559 11.445 -0.657 1.00 0.00 C ATOM 647 CD PRO A 41 2.609 10.277 -0.502 1.00 0.00 C ATOM 0 HA PRO A 41 4.090 9.672 -3.430 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.414 11.404 -1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.043 11.947 -2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.225 11.510 0.203 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.005 12.382 -0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.861 9.673 0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.582 10.616 -0.369 1.00 0.00 H new ATOM 655 N ALA A 42 5.408 8.922 -0.511 1.00 0.00 N ATOM 656 CA ALA A 42 6.448 8.036 0.103 1.00 0.00 C ATOM 657 C ALA A 42 6.452 6.655 -0.564 1.00 0.00 C ATOM 658 O ALA A 42 7.493 6.080 -0.817 1.00 0.00 O ATOM 659 CB ALA A 42 6.044 7.922 1.574 1.00 0.00 C ATOM 0 H ALA A 42 4.940 9.551 0.141 1.00 0.00 H new ATOM 0 HA ALA A 42 7.453 8.439 -0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.757 7.287 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.039 8.913 2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.048 7.485 1.645 1.00 0.00 H new ATOM 665 N ASN A 43 5.296 6.122 -0.854 1.00 0.00 N ATOM 666 CA ASN A 43 5.227 4.783 -1.508 1.00 0.00 C ATOM 667 C ASN A 43 5.340 4.932 -3.027 1.00 0.00 C ATOM 668 O ASN A 43 6.216 4.368 -3.651 1.00 0.00 O ATOM 669 CB ASN A 43 3.852 4.234 -1.123 1.00 0.00 C ATOM 670 CG ASN A 43 3.765 4.105 0.398 1.00 0.00 C ATOM 671 OD1 ASN A 43 2.594 4.066 0.971 1.00 0.00 O flip ATOM 672 ND2 ASN A 43 4.774 4.039 1.072 1.00 0.00 N flip ATOM 0 H ASN A 43 4.393 6.558 -0.666 1.00 0.00 H new ATOM 0 HA ASN A 43 6.035 4.123 -1.194 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.068 4.897 -1.488 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.692 3.263 -1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.690 4.069 0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.705 3.953 2.086 1.00 0.00 H new ATOM 679 N LEU A 44 4.461 5.691 -3.624 1.00 0.00 N ATOM 680 CA LEU A 44 4.516 5.881 -5.101 1.00 0.00 C ATOM 681 C LEU A 44 5.969 6.078 -5.547 1.00 0.00 C ATOM 682 O LEU A 44 6.469 5.359 -6.389 1.00 0.00 O ATOM 683 CB LEU A 44 3.681 7.137 -5.369 1.00 0.00 C ATOM 684 CG LEU A 44 2.249 6.738 -5.749 1.00 0.00 C ATOM 685 CD1 LEU A 44 2.274 5.998 -7.084 1.00 0.00 C ATOM 686 CD2 LEU A 44 1.657 5.825 -4.667 1.00 0.00 C ATOM 0 H LEU A 44 3.706 6.188 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 44 4.133 5.021 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.668 7.772 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.131 7.720 -6.173 1.00 0.00 H new ATOM 0 HG LEU A 44 1.633 7.633 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.259 5.711 -7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.689 6.649 -7.853 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.891 5.104 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.640 5.546 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.268 4.927 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.642 6.353 -3.714 1.00 0.00 H new ATOM 698 N LYS A 45 6.658 7.035 -4.979 1.00 0.00 N ATOM 699 CA LYS A 45 8.082 7.251 -5.373 1.00 0.00 C ATOM 700 C LYS A 45 8.879 5.969 -5.119 1.00 0.00 C ATOM 701 O LYS A 45 9.680 5.550 -5.932 1.00 0.00 O ATOM 702 CB LYS A 45 8.584 8.386 -4.473 1.00 0.00 C ATOM 703 CG LYS A 45 9.973 8.833 -4.941 1.00 0.00 C ATOM 704 CD LYS A 45 9.833 9.945 -5.986 1.00 0.00 C ATOM 705 CE LYS A 45 9.160 11.167 -5.354 1.00 0.00 C ATOM 706 NZ LYS A 45 10.093 12.301 -5.613 1.00 0.00 N ATOM 0 H LYS A 45 6.300 7.670 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 45 8.192 7.502 -6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.890 9.225 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.628 8.050 -3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.556 9.190 -4.092 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.514 7.987 -5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.814 10.218 -6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.244 9.590 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.182 11.352 -5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.003 11.022 -4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.699 13.174 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.014 12.100 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.218 12.420 -6.639 1.00 0.00 H new ATOM 720 N ALA A 46 8.655 5.335 -4.000 1.00 0.00 N ATOM 721 CA ALA A 46 9.386 4.072 -3.698 1.00 0.00 C ATOM 722 C ALA A 46 9.156 3.064 -4.822 1.00 0.00 C ATOM 723 O ALA A 46 10.083 2.489 -5.354 1.00 0.00 O ATOM 724 CB ALA A 46 8.778 3.564 -2.391 1.00 0.00 C ATOM 0 H ALA A 46 7.997 5.638 -3.282 1.00 0.00 H new ATOM 0 HA ALA A 46 10.462 4.222 -3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.265 2.633 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.923 4.309 -1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.712 3.387 -2.530 1.00 0.00 H new ATOM 730 N LEU A 47 7.921 2.854 -5.197 1.00 0.00 N ATOM 731 CA LEU A 47 7.638 1.891 -6.297 1.00 0.00 C ATOM 732 C LEU A 47 8.554 2.194 -7.484 1.00 0.00 C ATOM 733 O LEU A 47 8.949 1.312 -8.220 1.00 0.00 O ATOM 734 CB LEU A 47 6.175 2.139 -6.674 1.00 0.00 C ATOM 735 CG LEU A 47 5.264 1.110 -5.992 1.00 0.00 C ATOM 736 CD1 LEU A 47 5.442 -0.256 -6.659 1.00 0.00 C ATOM 737 CD2 LEU A 47 5.618 0.996 -4.506 1.00 0.00 C ATOM 0 H LEU A 47 7.102 3.306 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 47 7.810 0.855 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.882 3.146 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.056 2.078 -7.756 1.00 0.00 H new ATOM 0 HG LEU A 47 4.229 1.436 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.794 -0.985 -6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.179 -0.183 -7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.480 -0.574 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.965 0.263 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.656 0.679 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.485 1.965 -4.025 1.00 0.00 H new ATOM 749 N GLU A 48 8.898 3.443 -7.672 1.00 0.00 N ATOM 750 CA GLU A 48 9.793 3.812 -8.807 1.00 0.00 C ATOM 751 C GLU A 48 11.221 3.342 -8.525 1.00 0.00 C ATOM 752 O GLU A 48 12.003 3.126 -9.430 1.00 0.00 O ATOM 753 CB GLU A 48 9.737 5.338 -8.881 1.00 0.00 C ATOM 754 CG GLU A 48 10.334 5.805 -10.212 1.00 0.00 C ATOM 755 CD GLU A 48 9.207 6.095 -11.204 1.00 0.00 C ATOM 756 OE1 GLU A 48 8.107 6.376 -10.756 1.00 0.00 O ATOM 757 OE2 GLU A 48 9.462 6.030 -12.396 1.00 0.00 O ATOM 0 H GLU A 48 8.597 4.223 -7.087 1.00 0.00 H new ATOM 0 HA GLU A 48 9.483 3.349 -9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.706 5.680 -8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.290 5.774 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.936 6.700 -10.058 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.998 5.039 -10.613 1.00 0.00 H new ATOM 764 N ALA A 49 11.569 3.179 -7.279 1.00 0.00 N ATOM 765 CA ALA A 49 12.948 2.718 -6.950 1.00 0.00 C ATOM 766 C ALA A 49 13.084 1.224 -7.255 1.00 0.00 C ATOM 767 O ALA A 49 13.909 0.813 -8.047 1.00 0.00 O ATOM 768 CB ALA A 49 13.106 2.974 -5.454 1.00 0.00 C ATOM 0 H ALA A 49 10.961 3.344 -6.477 1.00 0.00 H new ATOM 0 HA ALA A 49 13.709 3.237 -7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.099 2.659 -5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.979 4.038 -5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.352 2.408 -4.906 1.00 0.00 H new ATOM 774 N GLN A 50 12.280 0.410 -6.630 1.00 0.00 N ATOM 775 CA GLN A 50 12.359 -1.059 -6.878 1.00 0.00 C ATOM 776 C GLN A 50 12.462 -1.349 -8.379 1.00 0.00 C ATOM 777 O GLN A 50 13.151 -2.258 -8.797 1.00 0.00 O ATOM 778 CB GLN A 50 11.054 -1.628 -6.320 1.00 0.00 C ATOM 779 CG GLN A 50 11.060 -3.151 -6.465 1.00 0.00 C ATOM 780 CD GLN A 50 12.036 -3.752 -5.453 1.00 0.00 C ATOM 781 OE1 GLN A 50 12.617 -3.042 -4.657 1.00 0.00 O ATOM 782 NE2 GLN A 50 12.242 -5.040 -5.445 1.00 0.00 N ATOM 0 H GLN A 50 11.570 0.698 -5.957 1.00 0.00 H new ATOM 0 HA GLN A 50 13.237 -1.502 -6.409 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.943 -1.352 -5.271 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.203 -1.204 -6.853 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.058 -3.547 -6.300 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.351 -3.430 -7.478 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.755 -5.638 -6.112 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.890 -5.449 -4.771 1.00 0.00 H new ATOM 791 N LYS A 51 11.777 -0.592 -9.190 1.00 0.00 N ATOM 792 CA LYS A 51 11.833 -0.838 -10.660 1.00 0.00 C ATOM 793 C LYS A 51 13.142 -0.303 -11.247 1.00 0.00 C ATOM 794 O LYS A 51 13.748 -0.925 -12.097 1.00 0.00 O ATOM 795 CB LYS A 51 10.637 -0.084 -11.237 1.00 0.00 C ATOM 796 CG LYS A 51 9.972 -0.938 -12.317 1.00 0.00 C ATOM 797 CD LYS A 51 9.385 -0.029 -13.399 1.00 0.00 C ATOM 798 CE LYS A 51 10.356 0.056 -14.578 1.00 0.00 C ATOM 799 NZ LYS A 51 10.626 -1.359 -14.961 1.00 0.00 N ATOM 0 H LYS A 51 11.182 0.184 -8.901 1.00 0.00 H new ATOM 0 HA LYS A 51 11.797 -1.901 -10.897 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.922 0.145 -10.447 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.962 0.867 -11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.700 -1.620 -12.756 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.186 -1.552 -11.877 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.424 -0.419 -13.734 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.202 0.966 -12.993 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.921 0.613 -15.408 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.275 0.570 -14.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.693 -1.432 -15.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.522 -1.669 -14.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.852 -1.965 -14.621 1.00 0.00 H new ATOM 813 N GLN A 52 13.584 0.841 -10.805 1.00 0.00 N ATOM 814 CA GLN A 52 14.852 1.396 -11.345 1.00 0.00 C ATOM 815 C GLN A 52 15.961 0.356 -11.216 1.00 0.00 C ATOM 816 O GLN A 52 15.723 -0.775 -10.842 1.00 0.00 O ATOM 817 CB GLN A 52 15.144 2.630 -10.491 1.00 0.00 C ATOM 818 CG GLN A 52 14.453 3.845 -11.113 1.00 0.00 C ATOM 819 CD GLN A 52 15.262 5.105 -10.808 1.00 0.00 C ATOM 820 OE1 GLN A 52 15.615 5.354 -9.673 1.00 0.00 O ATOM 821 NE2 GLN A 52 15.571 5.915 -11.781 1.00 0.00 N ATOM 0 H GLN A 52 13.123 1.412 -10.096 1.00 0.00 H new ATOM 0 HA GLN A 52 14.784 1.656 -12.401 1.00 0.00 H new ATOM 0 HB2 GLN A 52 14.788 2.475 -9.473 1.00 0.00 H new ATOM 0 HB3 GLN A 52 16.219 2.799 -10.430 1.00 0.00 H new ATOM 0 HG2 GLN A 52 14.361 3.712 -12.191 1.00 0.00 H new ATOM 0 HG3 GLN A 52 13.443 3.944 -10.716 1.00 0.00 H new ATOM 0 HE21 GLN A 52 15.274 5.704 -12.734 1.00 0.00 H new ATOM 0 HE22 GLN A 52 16.110 6.760 -11.590 1.00 0.00 H new ATOM 830 N LYS A 53 17.167 0.715 -11.538 1.00 0.00 N ATOM 831 CA LYS A 53 18.276 -0.274 -11.451 1.00 0.00 C ATOM 832 C LYS A 53 19.444 0.268 -10.617 1.00 0.00 C ATOM 833 O LYS A 53 20.284 -0.481 -10.160 1.00 0.00 O ATOM 834 CB LYS A 53 18.707 -0.496 -12.899 1.00 0.00 C ATOM 835 CG LYS A 53 19.394 0.764 -13.432 1.00 0.00 C ATOM 836 CD LYS A 53 20.842 0.435 -13.809 1.00 0.00 C ATOM 837 CE LYS A 53 21.055 0.669 -15.308 1.00 0.00 C ATOM 838 NZ LYS A 53 20.746 -0.640 -15.952 1.00 0.00 N ATOM 0 H LYS A 53 17.435 1.646 -11.857 1.00 0.00 H new ATOM 0 HA LYS A 53 17.961 -1.196 -10.962 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.387 -1.346 -12.960 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.840 -0.737 -13.514 1.00 0.00 H new ATOM 0 HG2 LYS A 53 18.858 1.143 -14.302 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.373 1.550 -12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 53 21.527 1.057 -13.234 1.00 0.00 H new ATOM 0 HD3 LYS A 53 21.066 -0.602 -13.558 1.00 0.00 H new ATOM 0 HE2 LYS A 53 20.400 1.457 -15.681 1.00 0.00 H new ATOM 0 HE3 LYS A 53 22.079 0.980 -15.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 20.870 -0.558 -16.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 21.389 -1.369 -15.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.763 -0.907 -15.742 1.00 0.00 H new ATOM 852 N GLU A 54 19.514 1.555 -10.416 1.00 0.00 N ATOM 853 CA GLU A 54 20.644 2.117 -9.616 1.00 0.00 C ATOM 854 C GLU A 54 20.176 2.509 -8.209 1.00 0.00 C ATOM 855 O GLU A 54 19.282 3.314 -8.042 1.00 0.00 O ATOM 856 CB GLU A 54 21.102 3.354 -10.389 1.00 0.00 C ATOM 857 CG GLU A 54 22.378 3.909 -9.754 1.00 0.00 C ATOM 858 CD GLU A 54 22.019 4.682 -8.484 1.00 0.00 C ATOM 859 OE1 GLU A 54 20.878 5.097 -8.369 1.00 0.00 O ATOM 860 OE2 GLU A 54 22.891 4.844 -7.646 1.00 0.00 O ATOM 0 H GLU A 54 18.844 2.239 -10.767 1.00 0.00 H new ATOM 0 HA GLU A 54 21.447 1.391 -9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.284 3.097 -11.432 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.319 4.112 -10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 54 23.063 3.095 -9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 54 22.893 4.563 -10.458 1.00 0.00 H new ATOM 867 N GLN A 55 20.787 1.956 -7.196 1.00 0.00 N ATOM 868 CA GLN A 55 20.390 2.302 -5.799 1.00 0.00 C ATOM 869 C GLN A 55 21.520 1.946 -4.832 1.00 0.00 C ATOM 870 O GLN A 55 21.303 1.743 -3.653 1.00 0.00 O ATOM 871 CB GLN A 55 19.150 1.455 -5.510 1.00 0.00 C ATOM 872 CG GLN A 55 18.192 2.241 -4.610 1.00 0.00 C ATOM 873 CD GLN A 55 18.862 2.533 -3.265 1.00 0.00 C ATOM 874 OE1 GLN A 55 18.827 1.716 -2.367 1.00 0.00 O ATOM 875 NE2 GLN A 55 19.470 3.675 -3.086 1.00 0.00 N ATOM 0 H GLN A 55 21.545 1.278 -7.275 1.00 0.00 H new ATOM 0 HA GLN A 55 20.187 3.366 -5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.653 1.189 -6.443 1.00 0.00 H new ATOM 0 HB3 GLN A 55 19.439 0.522 -5.025 1.00 0.00 H new ATOM 0 HG2 GLN A 55 17.908 3.175 -5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 55 17.276 1.671 -4.454 1.00 0.00 H new ATOM 0 HE21 GLN A 55 19.499 4.361 -3.840 1.00 0.00 H new ATOM 0 HE22 GLN A 55 19.916 3.881 -2.192 1.00 0.00 H new ATOM 884 N ARG A 56 22.726 1.864 -5.322 1.00 0.00 N ATOM 885 CA ARG A 56 23.870 1.516 -4.431 1.00 0.00 C ATOM 886 C ARG A 56 24.881 2.665 -4.390 1.00 0.00 C ATOM 887 O ARG A 56 25.651 2.715 -3.447 1.00 0.00 O ATOM 888 CB ARG A 56 24.493 0.274 -5.066 1.00 0.00 C ATOM 889 CG ARG A 56 25.272 -0.507 -4.007 1.00 0.00 C ATOM 890 CD ARG A 56 24.547 -1.821 -3.704 1.00 0.00 C ATOM 891 NE ARG A 56 23.600 -1.490 -2.604 1.00 0.00 N ATOM 892 CZ ARG A 56 23.981 -1.601 -1.361 1.00 0.00 C ATOM 893 NH1 ARG A 56 24.512 -2.717 -0.939 1.00 0.00 N ATOM 894 NH2 ARG A 56 23.836 -0.596 -0.538 1.00 0.00 N ATOM 895 OXT ARG A 56 24.866 3.474 -5.303 1.00 0.00 O ATOM 0 H ARG A 56 22.969 2.023 -6.300 1.00 0.00 H new ATOM 0 HA ARG A 56 23.556 1.338 -3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 56 23.715 -0.356 -5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 56 25.157 0.564 -5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 56 26.283 -0.710 -4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 56 25.366 0.087 -3.098 1.00 0.00 H new ATOM 0 HD2 ARG A 56 24.019 -2.192 -4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 56 25.248 -2.599 -3.401 1.00 0.00 H new ATOM 0 HE ARG A 56 22.654 -1.177 -2.822 1.00 0.00 H new ATOM 0 HH11 ARG A 56 24.629 -3.501 -1.581 1.00 0.00 H new ATOM 0 HH12 ARG A 56 24.810 -2.805 0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 56 23.424 0.277 -0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 56 24.135 -0.685 0.433 1.00 0.00 H new TER 909 ARG A 56