USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 648 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 32 ASN : amide:sc=-0.00211 X(o=-0.0021,f=-0.058) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -50:sc= 0.185 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0156 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -49:sc= 0.324 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0047 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -160:sc= -0.0409 USER MOD Single : A 84 ASN : amide:sc= -0.0661 K(o=-0.066,f=-1.3!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0793 X(o=-0.079,f=-0.0015) USER MOD Single : A 95 SER OG : rot 77:sc= 0.00741 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -52:sc= 0.0312 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc=4.74e-05 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 31 1.806 -16.504 4.209 1.00 0.00 N ATOM 2 CA GLY A 31 1.799 -17.694 3.342 1.00 0.00 C ATOM 3 C GLY A 31 3.018 -17.655 2.449 1.00 0.00 C ATOM 4 O GLY A 31 3.044 -16.823 1.552 1.00 0.00 O ATOM 0 HA2 GLY A 31 1.803 -18.601 3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.891 -17.716 2.740 1.00 0.00 H new ATOM 8 N ASN A 32 4.032 -18.478 2.721 1.00 0.00 N ATOM 9 CA ASN A 32 5.214 -18.602 1.873 1.00 0.00 C ATOM 10 C ASN A 32 5.833 -19.995 2.052 1.00 0.00 C ATOM 11 O ASN A 32 5.746 -20.569 3.136 1.00 0.00 O ATOM 12 CB ASN A 32 6.217 -17.488 2.230 1.00 0.00 C ATOM 13 CG ASN A 32 7.328 -17.401 1.196 1.00 0.00 C ATOM 14 OD1 ASN A 32 7.085 -17.233 0.009 1.00 0.00 O ATOM 15 ND2 ASN A 32 8.570 -17.564 1.597 1.00 0.00 N ATOM 0 H ASN A 32 4.054 -19.081 3.543 1.00 0.00 H new ATOM 0 HA ASN A 32 4.938 -18.489 0.825 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.697 -16.532 2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.645 -17.681 3.213 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.331 -17.550 0.918 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.772 -17.704 2.587 1.00 0.00 H new ATOM 22 N GLY A 33 6.464 -20.515 0.994 1.00 0.00 N ATOM 23 CA GLY A 33 7.041 -21.859 0.961 1.00 0.00 C ATOM 24 C GLY A 33 6.021 -22.954 0.614 1.00 0.00 C ATOM 25 O GLY A 33 4.813 -22.720 0.577 1.00 0.00 O ATOM 0 H GLY A 33 6.589 -20.002 0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.849 -21.881 0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.484 -22.080 1.932 1.00 0.00 H new ATOM 29 N SER A 34 6.530 -24.169 0.388 1.00 0.00 N ATOM 30 CA SER A 34 5.751 -25.377 0.083 1.00 0.00 C ATOM 31 C SER A 34 6.075 -26.468 1.099 1.00 0.00 C ATOM 32 O SER A 34 7.209 -26.536 1.565 1.00 0.00 O ATOM 33 CB SER A 34 6.084 -25.892 -1.324 1.00 0.00 C ATOM 34 OG SER A 34 5.553 -25.023 -2.305 1.00 0.00 O ATOM 0 H SER A 34 7.534 -24.347 0.413 1.00 0.00 H new ATOM 0 HA SER A 34 4.692 -25.125 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.165 -25.969 -1.444 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.676 -26.894 -1.457 1.00 0.00 H new ATOM 0 HG SER A 34 5.774 -25.363 -3.197 1.00 0.00 H new ATOM 40 N THR A 35 5.097 -27.338 1.407 1.00 0.00 N ATOM 41 CA THR A 35 5.201 -28.438 2.391 1.00 0.00 C ATOM 42 C THR A 35 5.826 -28.019 3.739 1.00 0.00 C ATOM 43 O THR A 35 6.533 -28.780 4.404 1.00 0.00 O ATOM 44 CB THR A 35 5.832 -29.685 1.743 1.00 0.00 C ATOM 45 OG1 THR A 35 5.603 -30.801 2.568 1.00 0.00 O ATOM 46 CG2 THR A 35 7.319 -29.556 1.387 1.00 0.00 C ATOM 0 H THR A 35 4.179 -27.296 0.964 1.00 0.00 H new ATOM 0 HA THR A 35 4.188 -28.718 2.680 1.00 0.00 H new ATOM 0 HB THR A 35 5.339 -29.810 0.779 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.866 -30.588 3.488 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.667 -30.486 0.937 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.454 -28.738 0.680 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.893 -29.353 2.291 1.00 0.00 H new ATOM 54 N ILE A 36 5.579 -26.768 4.141 1.00 0.00 N ATOM 55 CA ILE A 36 6.144 -26.199 5.361 1.00 0.00 C ATOM 56 C ILE A 36 5.391 -26.734 6.582 1.00 0.00 C ATOM 57 O ILE A 36 4.185 -26.979 6.532 1.00 0.00 O ATOM 58 CB ILE A 36 6.141 -24.655 5.298 1.00 0.00 C ATOM 59 CG1 ILE A 36 6.798 -24.098 4.015 1.00 0.00 C ATOM 60 CG2 ILE A 36 6.850 -24.065 6.525 1.00 0.00 C ATOM 61 CD1 ILE A 36 8.255 -24.529 3.790 1.00 0.00 C ATOM 0 H ILE A 36 4.980 -26.123 3.626 1.00 0.00 H new ATOM 0 HA ILE A 36 7.186 -26.506 5.454 1.00 0.00 H new ATOM 0 HB ILE A 36 5.093 -24.355 5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.205 -24.413 3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.758 -23.009 4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.838 -22.977 6.464 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.334 -24.383 7.431 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.882 -24.416 6.553 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.626 -24.087 2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.868 -24.191 4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.306 -25.615 3.719 1.00 0.00 H new ATOM 73 N THR A 37 6.118 -26.898 7.689 1.00 0.00 N ATOM 74 CA THR A 37 5.593 -27.281 8.996 1.00 0.00 C ATOM 75 C THR A 37 4.507 -26.330 9.500 1.00 0.00 C ATOM 76 O THR A 37 4.399 -25.171 9.096 1.00 0.00 O ATOM 77 CB THR A 37 6.729 -27.346 10.043 1.00 0.00 C ATOM 78 OG1 THR A 37 7.921 -26.749 9.567 1.00 0.00 O ATOM 79 CG2 THR A 37 7.019 -28.795 10.436 1.00 0.00 C ATOM 0 H THR A 37 7.129 -26.762 7.697 1.00 0.00 H new ATOM 0 HA THR A 37 5.144 -28.266 8.866 1.00 0.00 H new ATOM 0 HB THR A 37 6.387 -26.788 10.915 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.615 -26.808 10.257 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.821 -28.818 11.173 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.121 -29.243 10.862 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.321 -29.358 9.553 1.00 0.00 H new ATOM 87 N PHE A 38 3.726 -26.825 10.465 1.00 0.00 N ATOM 88 CA PHE A 38 2.651 -26.059 11.086 1.00 0.00 C ATOM 89 C PHE A 38 3.168 -24.872 11.914 1.00 0.00 C ATOM 90 O PHE A 38 2.401 -23.948 12.155 1.00 0.00 O ATOM 91 CB PHE A 38 1.773 -26.988 11.937 1.00 0.00 C ATOM 92 CG PHE A 38 0.748 -27.790 11.148 1.00 0.00 C ATOM 93 CD1 PHE A 38 1.148 -28.719 10.165 1.00 0.00 C ATOM 94 CD2 PHE A 38 -0.627 -27.599 11.395 1.00 0.00 C ATOM 95 CE1 PHE A 38 0.188 -29.440 9.435 1.00 0.00 C ATOM 96 CE2 PHE A 38 -1.587 -28.332 10.676 1.00 0.00 C ATOM 97 CZ PHE A 38 -1.181 -29.252 9.694 1.00 0.00 C ATOM 0 H PHE A 38 3.825 -27.770 10.835 1.00 0.00 H new ATOM 0 HA PHE A 38 2.049 -25.630 10.285 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.418 -27.680 12.478 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.250 -26.389 12.683 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.199 -28.877 9.972 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.944 -26.885 12.141 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.502 -30.139 8.674 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.638 -28.188 10.878 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.919 -29.813 9.140 1.00 0.00 H new ATOM 107 N ASP A 39 4.447 -24.850 12.308 1.00 0.00 N ATOM 108 CA ASP A 39 5.069 -23.753 13.058 1.00 0.00 C ATOM 109 C ASP A 39 4.927 -22.405 12.334 1.00 0.00 C ATOM 110 O ASP A 39 4.334 -21.463 12.865 1.00 0.00 O ATOM 111 CB ASP A 39 6.543 -24.095 13.318 1.00 0.00 C ATOM 112 CG ASP A 39 6.667 -25.358 14.174 1.00 0.00 C ATOM 113 OD1 ASP A 39 6.417 -25.262 15.403 1.00 0.00 O ATOM 114 OD2 ASP A 39 6.946 -26.411 13.553 1.00 0.00 O ATOM 0 H ASP A 39 5.094 -25.613 12.109 1.00 0.00 H new ATOM 0 HA ASP A 39 4.549 -23.644 14.010 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.059 -24.241 12.369 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.031 -23.260 13.821 1.00 0.00 H new ATOM 119 N GLU A 40 5.422 -22.330 11.092 1.00 0.00 N ATOM 120 CA GLU A 40 5.353 -21.123 10.261 1.00 0.00 C ATOM 121 C GLU A 40 3.897 -20.704 9.998 1.00 0.00 C ATOM 122 O GLU A 40 3.585 -19.513 9.978 1.00 0.00 O ATOM 123 CB GLU A 40 6.097 -21.347 8.930 1.00 0.00 C ATOM 124 CG GLU A 40 7.504 -21.963 9.069 1.00 0.00 C ATOM 125 CD GLU A 40 8.409 -21.219 10.059 1.00 0.00 C ATOM 126 OE1 GLU A 40 8.566 -19.990 9.874 1.00 0.00 O ATOM 127 OE2 GLU A 40 8.940 -21.879 10.984 1.00 0.00 O ATOM 0 H GLU A 40 5.886 -23.113 10.632 1.00 0.00 H new ATOM 0 HA GLU A 40 5.838 -20.313 10.806 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.492 -21.997 8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.184 -20.391 8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.407 -23.000 9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.984 -21.975 8.090 1.00 0.00 H new ATOM 134 N LEU A 41 2.992 -21.684 9.859 1.00 0.00 N ATOM 135 CA LEU A 41 1.546 -21.478 9.760 1.00 0.00 C ATOM 136 C LEU A 41 0.986 -20.830 11.029 1.00 0.00 C ATOM 137 O LEU A 41 0.410 -19.748 10.954 1.00 0.00 O ATOM 138 CB LEU A 41 0.836 -22.810 9.459 1.00 0.00 C ATOM 139 CG LEU A 41 0.535 -23.069 7.974 1.00 0.00 C ATOM 140 CD1 LEU A 41 1.779 -22.953 7.085 1.00 0.00 C ATOM 141 CD2 LEU A 41 -0.094 -24.461 7.814 1.00 0.00 C ATOM 0 H LEU A 41 3.257 -22.668 9.811 1.00 0.00 H new ATOM 0 HA LEU A 41 1.357 -20.792 8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.453 -23.626 9.836 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.102 -22.837 10.014 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.161 -22.297 7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.504 -23.146 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.194 -21.949 7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.524 -23.682 7.405 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.308 -24.645 6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.599 -25.218 8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.021 -24.509 8.386 1.00 0.00 H new ATOM 153 N GLN A 42 1.154 -21.469 12.190 1.00 0.00 N ATOM 154 CA GLN A 42 0.693 -20.952 13.478 1.00 0.00 C ATOM 155 C GLN A 42 1.234 -19.534 13.716 1.00 0.00 C ATOM 156 O GLN A 42 0.478 -18.665 14.141 1.00 0.00 O ATOM 157 CB GLN A 42 1.099 -21.898 14.618 1.00 0.00 C ATOM 158 CG GLN A 42 0.471 -23.303 14.518 1.00 0.00 C ATOM 159 CD GLN A 42 -0.719 -23.506 15.450 1.00 0.00 C ATOM 160 OE1 GLN A 42 -0.572 -23.643 16.653 1.00 0.00 O ATOM 161 NE2 GLN A 42 -1.932 -23.584 14.938 1.00 0.00 N ATOM 0 H GLN A 42 1.621 -22.373 12.261 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.395 -20.898 13.459 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.185 -21.996 14.627 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.812 -21.449 15.569 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.151 -23.477 13.491 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.232 -24.049 14.746 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.070 -23.471 13.934 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.732 -23.757 15.546 1.00 0.00 H new ATOM 170 N GLY A 43 2.500 -19.269 13.364 1.00 0.00 N ATOM 171 CA GLY A 43 3.093 -17.932 13.426 1.00 0.00 C ATOM 172 C GLY A 43 2.419 -16.915 12.497 1.00 0.00 C ATOM 173 O GLY A 43 2.064 -15.826 12.953 1.00 0.00 O ATOM 0 H GLY A 43 3.144 -19.984 13.026 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.037 -17.567 14.451 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.150 -18.001 13.169 1.00 0.00 H new ATOM 177 N LEU A 44 2.200 -17.261 11.217 1.00 0.00 N ATOM 178 CA LEU A 44 1.555 -16.359 10.252 1.00 0.00 C ATOM 179 C LEU A 44 0.160 -15.912 10.726 1.00 0.00 C ATOM 180 O LEU A 44 -0.223 -14.749 10.565 1.00 0.00 O ATOM 181 CB LEU A 44 1.569 -16.961 8.824 1.00 0.00 C ATOM 182 CG LEU A 44 0.314 -17.747 8.365 1.00 0.00 C ATOM 183 CD1 LEU A 44 -0.778 -16.826 7.811 1.00 0.00 C ATOM 184 CD2 LEU A 44 0.626 -18.805 7.301 1.00 0.00 C ATOM 0 H LEU A 44 2.463 -18.166 10.826 1.00 0.00 H new ATOM 0 HA LEU A 44 2.144 -15.444 10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.733 -16.147 8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.429 -17.627 8.748 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.043 -18.243 9.268 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.636 -17.423 7.503 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.085 -16.121 8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.391 -16.278 6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.292 -19.321 7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.054 -18.322 6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.339 -19.525 7.702 1.00 0.00 H new ATOM 196 N VAL A 45 -0.608 -16.836 11.320 1.00 0.00 N ATOM 197 CA VAL A 45 -1.952 -16.545 11.836 1.00 0.00 C ATOM 198 C VAL A 45 -1.923 -15.897 13.225 1.00 0.00 C ATOM 199 O VAL A 45 -2.826 -15.125 13.537 1.00 0.00 O ATOM 200 CB VAL A 45 -2.851 -17.793 11.775 1.00 0.00 C ATOM 201 CG1 VAL A 45 -2.402 -18.907 12.723 1.00 0.00 C ATOM 202 CG2 VAL A 45 -4.314 -17.456 12.074 1.00 0.00 C ATOM 0 H VAL A 45 -0.316 -17.804 11.456 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.398 -15.798 11.179 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.757 -18.156 10.751 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.078 -19.757 12.631 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.390 -19.218 12.465 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.418 -18.540 13.749 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.915 -18.364 12.021 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.392 -17.027 13.073 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.679 -16.736 11.341 1.00 0.00 H new ATOM 212 N ASN A 46 -0.873 -16.139 14.023 1.00 0.00 N ATOM 213 CA ASN A 46 -0.683 -15.545 15.345 1.00 0.00 C ATOM 214 C ASN A 46 -0.692 -14.013 15.274 1.00 0.00 C ATOM 215 O ASN A 46 -1.426 -13.381 16.029 1.00 0.00 O ATOM 216 CB ASN A 46 0.620 -16.086 15.968 1.00 0.00 C ATOM 217 CG ASN A 46 0.927 -15.508 17.339 1.00 0.00 C ATOM 218 OD1 ASN A 46 0.132 -15.568 18.263 1.00 0.00 O ATOM 219 ND2 ASN A 46 2.112 -14.960 17.525 1.00 0.00 N ATOM 0 H ASN A 46 -0.117 -16.769 13.756 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.516 -15.829 15.988 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.551 -17.171 16.048 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.451 -15.868 15.297 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.363 -14.587 18.440 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.777 -14.909 16.753 1.00 0.00 H new ATOM 226 N SER A 47 0.123 -13.419 14.386 1.00 0.00 N ATOM 227 CA SER A 47 0.200 -11.957 14.249 1.00 0.00 C ATOM 228 C SER A 47 0.928 -11.496 12.973 1.00 0.00 C ATOM 229 O SER A 47 1.802 -10.629 13.040 1.00 0.00 O ATOM 230 CB SER A 47 0.844 -11.353 15.513 1.00 0.00 C ATOM 231 OG SER A 47 0.466 -9.999 15.662 1.00 0.00 O ATOM 0 H SER A 47 0.738 -13.930 13.753 1.00 0.00 H new ATOM 0 HA SER A 47 -0.820 -11.588 14.146 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.538 -11.921 16.391 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.929 -11.429 15.447 1.00 0.00 H new ATOM 0 HG SER A 47 0.881 -9.630 16.469 1.00 0.00 H new ATOM 237 N THR A 48 0.583 -12.055 11.803 1.00 0.00 N ATOM 238 CA THR A 48 1.207 -11.682 10.515 1.00 0.00 C ATOM 239 C THR A 48 0.149 -11.401 9.445 1.00 0.00 C ATOM 240 O THR A 48 0.093 -10.288 8.926 1.00 0.00 O ATOM 241 CB THR A 48 2.208 -12.748 10.027 1.00 0.00 C ATOM 242 OG1 THR A 48 2.994 -13.241 11.090 1.00 0.00 O ATOM 243 CG2 THR A 48 3.165 -12.253 8.938 1.00 0.00 C ATOM 0 H THR A 48 -0.133 -12.776 11.718 1.00 0.00 H new ATOM 0 HA THR A 48 1.767 -10.764 10.690 1.00 0.00 H new ATOM 0 HB THR A 48 1.580 -13.532 9.604 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.618 -13.916 10.750 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.837 -13.061 8.649 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.592 -11.929 8.069 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.749 -11.415 9.320 1.00 0.00 H new ATOM 251 N VAL A 49 -0.715 -12.378 9.133 1.00 0.00 N ATOM 252 CA VAL A 49 -1.816 -12.194 8.173 1.00 0.00 C ATOM 253 C VAL A 49 -2.928 -11.332 8.766 1.00 0.00 C ATOM 254 O VAL A 49 -3.387 -10.403 8.110 1.00 0.00 O ATOM 255 CB VAL A 49 -2.347 -13.546 7.653 1.00 0.00 C ATOM 256 CG1 VAL A 49 -3.233 -14.308 8.649 1.00 0.00 C ATOM 257 CG2 VAL A 49 -3.111 -13.379 6.336 1.00 0.00 C ATOM 0 H VAL A 49 -0.672 -13.314 9.536 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.418 -11.659 7.311 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.450 -14.146 7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.561 -15.246 8.201 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.664 -14.519 9.555 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.103 -13.701 8.900 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.471 -14.351 5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.959 -12.711 6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.448 -12.956 5.582 1.00 0.00 H new ATOM 267 N THR A 50 -3.326 -11.599 10.019 1.00 0.00 N ATOM 268 CA THR A 50 -4.421 -10.888 10.694 1.00 0.00 C ATOM 269 C THR A 50 -4.088 -9.409 10.869 1.00 0.00 C ATOM 270 O THR A 50 -4.972 -8.564 10.777 1.00 0.00 O ATOM 271 CB THR A 50 -4.773 -11.552 12.039 1.00 0.00 C ATOM 272 OG1 THR A 50 -6.044 -11.122 12.471 1.00 0.00 O ATOM 273 CG2 THR A 50 -3.771 -11.274 13.164 1.00 0.00 C ATOM 0 H THR A 50 -2.893 -12.320 10.596 1.00 0.00 H new ATOM 0 HA THR A 50 -5.304 -10.953 10.059 1.00 0.00 H new ATOM 0 HB THR A 50 -4.751 -12.624 11.843 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.261 -11.550 13.326 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.096 -11.779 14.074 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.787 -11.644 12.875 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.716 -10.201 13.345 1.00 0.00 H new ATOM 281 N GLN A 51 -2.805 -9.097 11.098 1.00 0.00 N ATOM 282 CA GLN A 51 -2.324 -7.737 11.288 1.00 0.00 C ATOM 283 C GLN A 51 -2.324 -6.941 9.980 1.00 0.00 C ATOM 284 O GLN A 51 -2.528 -5.732 10.021 1.00 0.00 O ATOM 285 CB GLN A 51 -0.940 -7.780 11.953 1.00 0.00 C ATOM 286 CG GLN A 51 -0.574 -6.435 12.602 1.00 0.00 C ATOM 287 CD GLN A 51 0.496 -6.612 13.676 1.00 0.00 C ATOM 288 OE1 GLN A 51 1.688 -6.638 13.406 1.00 0.00 O ATOM 289 NE2 GLN A 51 0.100 -6.768 14.927 1.00 0.00 N ATOM 0 H GLN A 51 -2.067 -9.799 11.156 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.008 -7.206 11.950 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.925 -8.564 12.710 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.188 -8.041 11.209 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.215 -5.745 11.838 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.465 -5.987 13.043 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.894 -6.746 15.154 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.789 -6.910 15.666 1.00 0.00 H new ATOM 298 N ALA A 52 -2.179 -7.610 8.828 1.00 0.00 N ATOM 299 CA ALA A 52 -2.201 -6.977 7.511 1.00 0.00 C ATOM 300 C ALA A 52 -3.529 -6.249 7.248 1.00 0.00 C ATOM 301 O ALA A 52 -3.515 -5.093 6.821 1.00 0.00 O ATOM 302 CB ALA A 52 -1.925 -8.039 6.439 1.00 0.00 C ATOM 0 H ALA A 52 -2.041 -8.620 8.789 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.421 -6.217 7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.940 -7.574 5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.947 -8.487 6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.692 -8.812 6.487 1.00 0.00 H new ATOM 308 N ILE A 53 -4.664 -6.903 7.546 1.00 0.00 N ATOM 309 CA ILE A 53 -6.002 -6.313 7.399 1.00 0.00 C ATOM 310 C ILE A 53 -6.123 -5.056 8.267 1.00 0.00 C ATOM 311 O ILE A 53 -6.504 -4.000 7.767 1.00 0.00 O ATOM 312 CB ILE A 53 -7.124 -7.337 7.712 1.00 0.00 C ATOM 313 CG1 ILE A 53 -6.980 -8.630 6.868 1.00 0.00 C ATOM 314 CG2 ILE A 53 -8.510 -6.726 7.448 1.00 0.00 C ATOM 315 CD1 ILE A 53 -6.466 -9.803 7.706 1.00 0.00 C ATOM 0 H ILE A 53 -4.678 -7.861 7.897 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.132 -6.023 6.356 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.026 -7.594 8.767 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.945 -8.890 6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.296 -8.448 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.281 -7.462 7.674 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.648 -5.850 8.081 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.585 -6.432 6.401 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.379 -10.689 7.077 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.488 -9.554 8.119 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.164 -10.002 8.519 1.00 0.00 H new ATOM 327 N LEU A 54 -5.756 -5.156 9.552 1.00 0.00 N ATOM 328 CA LEU A 54 -5.818 -4.056 10.521 1.00 0.00 C ATOM 329 C LEU A 54 -4.938 -2.887 10.057 1.00 0.00 C ATOM 330 O LEU A 54 -5.419 -1.760 9.926 1.00 0.00 O ATOM 331 CB LEU A 54 -5.380 -4.536 11.925 1.00 0.00 C ATOM 332 CG LEU A 54 -6.041 -5.837 12.427 1.00 0.00 C ATOM 333 CD1 LEU A 54 -5.221 -6.484 13.553 1.00 0.00 C ATOM 334 CD2 LEU A 54 -7.476 -5.623 12.910 1.00 0.00 C ATOM 0 H LEU A 54 -5.400 -6.023 9.954 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.851 -3.713 10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.299 -4.679 11.919 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.592 -3.743 12.642 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.069 -6.505 11.566 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.714 -7.398 13.883 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.223 -6.723 13.185 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.143 -5.791 14.391 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.890 -6.572 13.251 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.480 -4.908 13.733 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.082 -5.236 12.091 1.00 0.00 H new ATOM 346 N PHE A 55 -3.659 -3.167 9.777 1.00 0.00 N ATOM 347 CA PHE A 55 -2.682 -2.182 9.326 1.00 0.00 C ATOM 348 C PHE A 55 -3.178 -1.464 8.067 1.00 0.00 C ATOM 349 O PHE A 55 -3.233 -0.237 8.052 1.00 0.00 O ATOM 350 CB PHE A 55 -1.320 -2.858 9.107 1.00 0.00 C ATOM 351 CG PHE A 55 -0.162 -1.883 9.094 1.00 0.00 C ATOM 352 CD1 PHE A 55 0.447 -1.520 10.311 1.00 0.00 C ATOM 353 CD2 PHE A 55 0.304 -1.330 7.886 1.00 0.00 C ATOM 354 CE1 PHE A 55 1.518 -0.609 10.322 1.00 0.00 C ATOM 355 CE2 PHE A 55 1.376 -0.418 7.897 1.00 0.00 C ATOM 356 CZ PHE A 55 1.983 -0.058 9.116 1.00 0.00 C ATOM 0 H PHE A 55 -3.271 -4.107 9.861 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.556 -1.422 10.097 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.157 -3.594 9.894 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.339 -3.401 8.162 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.090 -1.943 11.239 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.161 -1.606 6.951 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.983 -0.333 11.257 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.733 0.006 6.970 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.806 0.642 9.124 1.00 0.00 H new ATOM 366 N GLY A 56 -3.602 -2.220 7.045 1.00 0.00 N ATOM 367 CA GLY A 56 -4.149 -1.685 5.801 1.00 0.00 C ATOM 368 C GLY A 56 -5.409 -0.835 6.000 1.00 0.00 C ATOM 369 O GLY A 56 -5.486 0.258 5.438 1.00 0.00 O ATOM 0 H GLY A 56 -3.572 -3.239 7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.387 -1.080 5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.381 -2.512 5.130 1.00 0.00 H new ATOM 373 N VAL A 57 -6.368 -1.298 6.819 1.00 0.00 N ATOM 374 CA VAL A 57 -7.588 -0.552 7.180 1.00 0.00 C ATOM 375 C VAL A 57 -7.227 0.821 7.738 1.00 0.00 C ATOM 376 O VAL A 57 -7.621 1.846 7.168 1.00 0.00 O ATOM 377 CB VAL A 57 -8.455 -1.348 8.185 1.00 0.00 C ATOM 378 CG1 VAL A 57 -9.495 -0.484 8.920 1.00 0.00 C ATOM 379 CG2 VAL A 57 -9.204 -2.489 7.484 1.00 0.00 C ATOM 0 H VAL A 57 -6.317 -2.218 7.257 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.179 -0.411 6.275 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.749 -1.736 8.920 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.066 -1.108 9.608 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.986 0.301 9.480 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.171 -0.032 8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.805 -3.032 8.213 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.854 -2.077 6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.485 -3.170 7.028 1.00 0.00 H new ATOM 389 N ARG A 58 -6.486 0.845 8.859 1.00 0.00 N ATOM 390 CA ARG A 58 -6.145 2.102 9.531 1.00 0.00 C ATOM 391 C ARG A 58 -5.272 2.975 8.634 1.00 0.00 C ATOM 392 O ARG A 58 -5.510 4.176 8.581 1.00 0.00 O ATOM 393 CB ARG A 58 -5.484 1.869 10.897 1.00 0.00 C ATOM 394 CG ARG A 58 -6.305 0.942 11.811 1.00 0.00 C ATOM 395 CD ARG A 58 -5.795 0.968 13.254 1.00 0.00 C ATOM 396 NE ARG A 58 -6.212 2.197 13.955 1.00 0.00 N ATOM 397 CZ ARG A 58 -5.797 2.611 15.147 1.00 0.00 C ATOM 398 NH1 ARG A 58 -4.889 1.950 15.826 1.00 0.00 N ATOM 399 NH2 ARG A 58 -6.299 3.701 15.679 1.00 0.00 N ATOM 0 H ARG A 58 -6.115 0.011 9.314 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.078 2.632 9.721 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.494 1.438 10.747 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.342 2.828 11.394 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.352 1.245 11.790 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.261 -0.078 11.428 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.172 0.097 13.790 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.707 0.898 13.257 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.889 2.790 13.475 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.485 1.097 15.440 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.588 2.290 16.739 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.010 4.233 15.177 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.978 4.016 16.595 1.00 0.00 H new ATOM 413 N SER A 59 -4.336 2.376 7.887 1.00 0.00 N ATOM 414 CA SER A 59 -3.495 3.048 6.892 1.00 0.00 C ATOM 415 C SER A 59 -4.335 3.798 5.857 1.00 0.00 C ATOM 416 O SER A 59 -4.182 5.011 5.714 1.00 0.00 O ATOM 417 CB SER A 59 -2.566 2.026 6.222 1.00 0.00 C ATOM 418 OG SER A 59 -1.781 2.628 5.215 1.00 0.00 O ATOM 0 H SER A 59 -4.138 1.378 7.962 1.00 0.00 H new ATOM 0 HA SER A 59 -2.886 3.794 7.403 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.916 1.576 6.972 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.160 1.220 5.790 1.00 0.00 H new ATOM 0 HG SER A 59 -1.198 1.954 4.807 1.00 0.00 H new ATOM 424 N GLY A 60 -5.259 3.108 5.175 1.00 0.00 N ATOM 425 CA GLY A 60 -6.098 3.720 4.147 1.00 0.00 C ATOM 426 C GLY A 60 -6.996 4.831 4.690 1.00 0.00 C ATOM 427 O GLY A 60 -7.031 5.925 4.125 1.00 0.00 O ATOM 0 H GLY A 60 -5.442 2.115 5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.461 4.127 3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.719 2.951 3.688 1.00 0.00 H new ATOM 431 N ALA A 61 -7.696 4.573 5.803 1.00 0.00 N ATOM 432 CA ALA A 61 -8.554 5.570 6.440 1.00 0.00 C ATOM 433 C ALA A 61 -7.759 6.796 6.923 1.00 0.00 C ATOM 434 O ALA A 61 -8.148 7.927 6.625 1.00 0.00 O ATOM 435 CB ALA A 61 -9.329 4.914 7.588 1.00 0.00 C ATOM 0 H ALA A 61 -7.681 3.672 6.281 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.261 5.941 5.698 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.970 5.656 8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.942 4.103 7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.627 4.516 8.321 1.00 0.00 H new ATOM 441 N ALA A 62 -6.639 6.579 7.633 1.00 0.00 N ATOM 442 CA ALA A 62 -5.742 7.638 8.093 1.00 0.00 C ATOM 443 C ALA A 62 -5.165 8.446 6.925 1.00 0.00 C ATOM 444 O ALA A 62 -5.119 9.671 7.006 1.00 0.00 O ATOM 445 CB ALA A 62 -4.615 7.042 8.945 1.00 0.00 C ATOM 0 H ALA A 62 -6.332 5.645 7.905 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.326 8.326 8.704 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.953 7.840 9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.042 6.535 9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.048 6.327 8.349 1.00 0.00 H new ATOM 451 N ALA A 63 -4.766 7.784 5.830 1.00 0.00 N ATOM 452 CA ALA A 63 -4.312 8.462 4.623 1.00 0.00 C ATOM 453 C ALA A 63 -5.425 9.332 4.024 1.00 0.00 C ATOM 454 O ALA A 63 -5.201 10.521 3.799 1.00 0.00 O ATOM 455 CB ALA A 63 -3.760 7.442 3.621 1.00 0.00 C ATOM 0 H ALA A 63 -4.751 6.766 5.763 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.499 9.140 4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.424 7.960 2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.921 6.910 4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.542 6.730 3.358 1.00 0.00 H new ATOM 461 N LEU A 64 -6.628 8.772 3.825 1.00 0.00 N ATOM 462 CA LEU A 64 -7.791 9.492 3.301 1.00 0.00 C ATOM 463 C LEU A 64 -8.030 10.807 4.046 1.00 0.00 C ATOM 464 O LEU A 64 -8.001 11.861 3.415 1.00 0.00 O ATOM 465 CB LEU A 64 -9.020 8.569 3.286 1.00 0.00 C ATOM 466 CG LEU A 64 -10.335 9.273 2.871 1.00 0.00 C ATOM 467 CD1 LEU A 64 -11.170 8.346 1.986 1.00 0.00 C ATOM 468 CD2 LEU A 64 -11.174 9.699 4.087 1.00 0.00 C ATOM 0 H LEU A 64 -6.819 7.791 4.028 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.591 9.780 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.832 7.742 2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.149 8.138 4.279 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.057 10.172 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.093 8.850 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.603 8.090 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.410 7.436 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.086 10.188 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.432 8.820 4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.599 10.392 4.701 1.00 0.00 H new ATOM 480 N THR A 65 -8.237 10.757 5.369 1.00 0.00 N ATOM 481 CA THR A 65 -8.473 11.968 6.170 1.00 0.00 C ATOM 482 C THR A 65 -7.340 12.987 6.009 1.00 0.00 C ATOM 483 O THR A 65 -7.633 14.146 5.703 1.00 0.00 O ATOM 484 CB THR A 65 -8.778 11.641 7.645 1.00 0.00 C ATOM 485 OG1 THR A 65 -8.969 12.820 8.388 1.00 0.00 O ATOM 486 CG2 THR A 65 -7.684 10.855 8.355 1.00 0.00 C ATOM 0 H THR A 65 -8.246 9.891 5.908 1.00 0.00 H new ATOM 0 HA THR A 65 -9.372 12.442 5.776 1.00 0.00 H new ATOM 0 HB THR A 65 -9.677 11.026 7.602 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.163 12.591 9.321 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.981 10.669 9.387 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.529 9.904 7.845 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.757 11.429 8.342 1.00 0.00 H new ATOM 494 N LEU A 66 -6.067 12.559 6.100 1.00 0.00 N ATOM 495 CA LEU A 66 -4.888 13.422 5.923 1.00 0.00 C ATOM 496 C LEU A 66 -4.966 14.208 4.602 1.00 0.00 C ATOM 497 O LEU A 66 -4.707 15.413 4.583 1.00 0.00 O ATOM 498 CB LEU A 66 -3.579 12.598 6.105 1.00 0.00 C ATOM 499 CG LEU A 66 -2.662 12.407 4.871 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.849 13.675 4.563 1.00 0.00 C ATOM 501 CD2 LEU A 66 -1.736 11.185 4.982 1.00 0.00 C ATOM 0 H LEU A 66 -5.827 11.588 6.302 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.874 14.182 6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.990 13.076 6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.855 11.609 6.472 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.336 12.216 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.219 13.500 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.529 14.502 4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.222 13.923 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.122 11.111 4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.092 11.295 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.337 10.281 5.086 1.00 0.00 H new ATOM 513 N ILE A 67 -5.351 13.535 3.509 1.00 0.00 N ATOM 514 CA ILE A 67 -5.451 14.128 2.174 1.00 0.00 C ATOM 515 C ILE A 67 -6.500 15.237 2.190 1.00 0.00 C ATOM 516 O ILE A 67 -6.208 16.354 1.767 1.00 0.00 O ATOM 517 CB ILE A 67 -5.780 13.055 1.113 1.00 0.00 C ATOM 518 CG1 ILE A 67 -4.668 11.988 1.020 1.00 0.00 C ATOM 519 CG2 ILE A 67 -5.985 13.680 -0.276 1.00 0.00 C ATOM 520 CD1 ILE A 67 -5.192 10.613 0.582 1.00 0.00 C ATOM 0 H ILE A 67 -5.605 12.547 3.531 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.488 14.560 1.902 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.707 12.580 1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.908 12.323 0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.181 11.893 1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.215 12.896 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.811 14.391 -0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.075 14.197 -0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.364 9.906 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.931 10.259 1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.654 10.696 -0.402 1.00 0.00 H new ATOM 532 N VAL A 68 -7.696 14.954 2.728 1.00 0.00 N ATOM 533 CA VAL A 68 -8.765 15.955 2.853 1.00 0.00 C ATOM 534 C VAL A 68 -8.252 17.195 3.589 1.00 0.00 C ATOM 535 O VAL A 68 -8.479 18.311 3.114 1.00 0.00 O ATOM 536 CB VAL A 68 -10.029 15.401 3.546 1.00 0.00 C ATOM 537 CG1 VAL A 68 -11.210 16.364 3.362 1.00 0.00 C ATOM 538 CG2 VAL A 68 -10.457 14.031 3.000 1.00 0.00 C ATOM 0 H VAL A 68 -7.948 14.033 3.086 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.058 16.230 1.840 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.767 15.294 4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.092 15.957 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.962 17.331 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -11.416 16.489 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.350 13.693 3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.672 14.115 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.653 13.311 3.152 1.00 0.00 H new ATOM 548 N VAL A 69 -7.520 16.999 4.701 1.00 0.00 N ATOM 549 CA VAL A 69 -6.919 18.091 5.481 1.00 0.00 C ATOM 550 C VAL A 69 -5.916 18.877 4.640 1.00 0.00 C ATOM 551 O VAL A 69 -5.999 20.103 4.595 1.00 0.00 O ATOM 552 CB VAL A 69 -6.251 17.627 6.795 1.00 0.00 C ATOM 553 CG1 VAL A 69 -6.013 18.845 7.701 1.00 0.00 C ATOM 554 CG2 VAL A 69 -7.086 16.596 7.567 1.00 0.00 C ATOM 0 H VAL A 69 -7.329 16.073 5.084 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.751 18.736 5.763 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.313 17.146 6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.542 18.522 8.629 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.362 19.555 7.192 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.966 19.323 7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.561 16.312 8.479 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.052 17.030 7.825 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.239 15.713 6.946 1.00 0.00 H new ATOM 564 N TRP A 70 -4.998 18.199 3.942 1.00 0.00 N ATOM 565 CA TRP A 70 -4.053 18.847 3.032 1.00 0.00 C ATOM 566 C TRP A 70 -4.753 19.718 1.982 1.00 0.00 C ATOM 567 O TRP A 70 -4.281 20.827 1.736 1.00 0.00 O ATOM 568 CB TRP A 70 -3.115 17.808 2.397 1.00 0.00 C ATOM 569 CG TRP A 70 -2.361 18.272 1.184 1.00 0.00 C ATOM 570 CD1 TRP A 70 -1.651 19.413 1.099 1.00 0.00 C ATOM 571 CD2 TRP A 70 -2.309 17.693 -0.153 1.00 0.00 C ATOM 572 NE1 TRP A 70 -1.144 19.580 -0.169 1.00 0.00 N ATOM 573 CE2 TRP A 70 -1.547 18.558 -0.998 1.00 0.00 C ATOM 574 CE3 TRP A 70 -2.866 16.543 -0.745 1.00 0.00 C ATOM 575 CZ2 TRP A 70 -1.359 18.300 -2.364 1.00 0.00 C ATOM 576 CZ3 TRP A 70 -2.691 16.275 -2.115 1.00 0.00 C ATOM 577 CH2 TRP A 70 -1.943 17.151 -2.924 1.00 0.00 C ATOM 0 H TRP A 70 -4.891 17.186 3.994 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.443 19.530 3.622 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.395 17.487 3.150 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.703 16.932 2.124 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.500 20.103 1.916 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -0.549 20.357 -0.456 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.437 15.856 -0.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.775 18.973 -2.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -3.134 15.391 -2.549 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.818 16.940 -3.976 1.00 0.00 H new ATOM 588 N ILE A 71 -5.879 19.270 1.415 1.00 0.00 N ATOM 589 CA ILE A 71 -6.656 20.050 0.442 1.00 0.00 C ATOM 590 C ILE A 71 -7.266 21.293 1.105 1.00 0.00 C ATOM 591 O ILE A 71 -6.955 22.414 0.698 1.00 0.00 O ATOM 592 CB ILE A 71 -7.699 19.160 -0.289 1.00 0.00 C ATOM 593 CG1 ILE A 71 -7.067 18.452 -1.511 1.00 0.00 C ATOM 594 CG2 ILE A 71 -8.906 19.965 -0.814 1.00 0.00 C ATOM 595 CD1 ILE A 71 -6.110 17.315 -1.159 1.00 0.00 C ATOM 0 H ILE A 71 -6.279 18.354 1.618 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.984 20.416 -0.334 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.035 18.440 0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.865 18.057 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.530 19.191 -2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.602 19.292 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.410 20.451 0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.560 20.721 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.714 16.876 -2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.288 17.704 -0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.644 16.552 -0.592 1.00 0.00 H new ATOM 607 N THR A 72 -8.136 21.112 2.108 1.00 0.00 N ATOM 608 CA THR A 72 -8.885 22.215 2.736 1.00 0.00 C ATOM 609 C THR A 72 -7.973 23.189 3.477 1.00 0.00 C ATOM 610 O THR A 72 -8.084 24.398 3.280 1.00 0.00 O ATOM 611 CB THR A 72 -9.994 21.687 3.666 1.00 0.00 C ATOM 612 OG1 THR A 72 -10.706 22.757 4.246 1.00 0.00 O ATOM 613 CG2 THR A 72 -9.491 20.819 4.823 1.00 0.00 C ATOM 0 H THR A 72 -8.342 20.197 2.509 1.00 0.00 H new ATOM 0 HA THR A 72 -9.357 22.769 1.925 1.00 0.00 H new ATOM 0 HB THR A 72 -10.619 21.072 3.018 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.407 22.404 4.832 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.337 20.491 5.426 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.970 19.948 4.425 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.807 21.399 5.443 1.00 0.00 H new ATOM 621 N SER A 73 -7.048 22.662 4.286 1.00 0.00 N ATOM 622 CA SER A 73 -6.086 23.431 5.070 1.00 0.00 C ATOM 623 C SER A 73 -4.891 23.906 4.241 1.00 0.00 C ATOM 624 O SER A 73 -4.008 24.549 4.808 1.00 0.00 O ATOM 625 CB SER A 73 -5.578 22.584 6.245 1.00 0.00 C ATOM 626 OG SER A 73 -5.020 23.430 7.227 1.00 0.00 O ATOM 0 H SER A 73 -6.948 21.655 4.415 1.00 0.00 H new ATOM 0 HA SER A 73 -6.608 24.317 5.431 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.397 22.005 6.671 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.831 21.871 5.897 1.00 0.00 H new ATOM 0 HG SER A 73 -4.398 24.058 6.803 1.00 0.00 H new ATOM 632 N ARG A 74 -4.841 23.565 2.938 1.00 0.00 N ATOM 633 CA ARG A 74 -3.734 23.839 2.008 1.00 0.00 C ATOM 634 C ARG A 74 -2.366 23.552 2.644 1.00 0.00 C ATOM 635 O ARG A 74 -1.442 24.362 2.558 1.00 0.00 O ATOM 636 CB ARG A 74 -3.879 25.267 1.450 1.00 0.00 C ATOM 637 CG ARG A 74 -5.033 25.429 0.445 1.00 0.00 C ATOM 638 CD ARG A 74 -4.762 24.649 -0.852 1.00 0.00 C ATOM 639 NE ARG A 74 -5.540 25.170 -1.994 1.00 0.00 N ATOM 640 CZ ARG A 74 -5.400 24.821 -3.269 1.00 0.00 C ATOM 641 NH1 ARG A 74 -4.518 23.920 -3.643 1.00 0.00 N ATOM 642 NH2 ARG A 74 -6.145 25.372 -4.200 1.00 0.00 N ATOM 0 H ARG A 74 -5.609 23.068 2.487 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.789 23.154 1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.033 25.957 2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.946 25.554 0.966 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.961 25.078 0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.171 26.485 0.214 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.699 24.698 -1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.006 23.598 -0.699 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.255 25.866 -1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.921 23.471 -2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.431 23.670 -4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.839 26.075 -3.948 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.029 25.097 -5.175 1.00 0.00 H new ATOM 656 N SER A 75 -2.254 22.379 3.287 1.00 0.00 N ATOM 657 CA SER A 75 -1.014 21.939 3.934 1.00 0.00 C ATOM 658 C SER A 75 0.136 21.860 2.918 1.00 0.00 C ATOM 659 O SER A 75 -0.064 21.880 1.697 1.00 0.00 O ATOM 660 CB SER A 75 -1.198 20.600 4.665 1.00 0.00 C ATOM 661 OG SER A 75 -0.105 20.365 5.530 1.00 0.00 O ATOM 0 H SER A 75 -3.021 21.712 3.371 1.00 0.00 H new ATOM 0 HA SER A 75 -0.754 22.685 4.685 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.127 20.613 5.235 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.280 19.790 3.941 1.00 0.00 H new ATOM 0 HG SER A 75 -0.232 19.510 5.993 1.00 0.00 H new ATOM 667 N ARG A 76 1.364 21.763 3.415 1.00 0.00 N ATOM 668 CA ARG A 76 2.565 21.705 2.584 1.00 0.00 C ATOM 669 C ARG A 76 3.767 21.324 3.437 1.00 0.00 C ATOM 670 O ARG A 76 3.623 21.051 4.627 1.00 0.00 O ATOM 671 CB ARG A 76 2.742 23.063 1.859 1.00 0.00 C ATOM 672 CG ARG A 76 2.796 22.916 0.324 1.00 0.00 C ATOM 673 CD ARG A 76 1.931 23.990 -0.348 1.00 0.00 C ATOM 674 NE ARG A 76 2.177 24.087 -1.803 1.00 0.00 N ATOM 675 CZ ARG A 76 1.706 25.039 -2.604 1.00 0.00 C ATOM 676 NH1 ARG A 76 0.864 25.947 -2.167 1.00 0.00 N ATOM 677 NH2 ARG A 76 2.067 25.113 -3.865 1.00 0.00 N ATOM 0 H ARG A 76 1.558 21.722 4.416 1.00 0.00 H new ATOM 0 HA ARG A 76 2.470 20.934 1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.918 23.724 2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.659 23.539 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.827 23.003 -0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.446 21.925 0.035 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.879 23.765 -0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.131 24.956 0.116 1.00 0.00 H new ATOM 0 HE ARG A 76 2.756 23.363 -2.228 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.557 25.932 -1.194 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.517 26.667 -2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.722 24.432 -4.249 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.693 25.852 -4.460 1.00 0.00 H new ATOM 691 N LYS A 77 4.946 21.285 2.803 1.00 0.00 N ATOM 692 CA LYS A 77 6.233 20.983 3.449 1.00 0.00 C ATOM 693 C LYS A 77 6.259 19.608 4.139 1.00 0.00 C ATOM 694 O LYS A 77 7.060 19.370 5.043 1.00 0.00 O ATOM 695 CB LYS A 77 6.601 22.114 4.425 1.00 0.00 C ATOM 696 CG LYS A 77 6.592 23.512 3.777 1.00 0.00 C ATOM 697 CD LYS A 77 7.316 24.529 4.665 1.00 0.00 C ATOM 698 CE LYS A 77 8.831 24.289 4.615 1.00 0.00 C ATOM 699 NZ LYS A 77 9.528 24.923 5.758 1.00 0.00 N ATOM 0 H LYS A 77 5.035 21.467 1.803 1.00 0.00 H new ATOM 0 HA LYS A 77 6.987 20.926 2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.901 22.105 5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.591 21.920 4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.074 23.468 2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.564 23.834 3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.089 25.541 4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.960 24.445 5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.029 23.217 4.618 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.231 24.684 3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.549 24.738 5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.360 25.949 5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.165 24.527 6.649 1.00 0.00 H new ATOM 713 N THR A 78 5.364 18.713 3.723 1.00 0.00 N ATOM 714 CA THR A 78 5.192 17.374 4.267 1.00 0.00 C ATOM 715 C THR A 78 6.379 16.474 3.899 1.00 0.00 C ATOM 716 O THR A 78 7.028 16.689 2.871 1.00 0.00 O ATOM 717 CB THR A 78 3.867 16.754 3.767 1.00 0.00 C ATOM 718 OG1 THR A 78 3.334 17.461 2.662 1.00 0.00 O ATOM 719 CG2 THR A 78 2.784 16.772 4.846 1.00 0.00 C ATOM 0 H THR A 78 4.712 18.914 2.964 1.00 0.00 H new ATOM 0 HA THR A 78 5.152 17.452 5.353 1.00 0.00 H new ATOM 0 HB THR A 78 4.122 15.732 3.488 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.379 17.259 2.574 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.870 16.327 4.452 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.122 16.201 5.711 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.586 17.801 5.146 1.00 0.00 H new ATOM 727 N PRO A 79 6.669 15.444 4.715 1.00 0.00 N ATOM 728 CA PRO A 79 7.769 14.527 4.465 1.00 0.00 C ATOM 729 C PRO A 79 7.484 13.657 3.235 1.00 0.00 C ATOM 730 O PRO A 79 6.354 13.218 3.009 1.00 0.00 O ATOM 731 CB PRO A 79 7.911 13.697 5.747 1.00 0.00 C ATOM 732 CG PRO A 79 6.518 13.733 6.367 1.00 0.00 C ATOM 733 CD PRO A 79 5.960 15.084 5.932 1.00 0.00 C ATOM 0 HA PRO A 79 8.699 15.050 4.240 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.224 12.676 5.529 1.00 0.00 H new ATOM 0 HB3 PRO A 79 8.657 14.123 6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.899 12.911 6.008 1.00 0.00 H new ATOM 0 HG3 PRO A 79 6.561 13.649 7.453 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.887 15.022 5.753 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.111 15.835 6.707 1.00 0.00 H new ATOM 741 N ILE A 80 8.547 13.340 2.486 1.00 0.00 N ATOM 742 CA ILE A 80 8.506 12.449 1.319 1.00 0.00 C ATOM 743 C ILE A 80 7.754 11.145 1.603 1.00 0.00 C ATOM 744 O ILE A 80 6.962 10.707 0.775 1.00 0.00 O ATOM 745 CB ILE A 80 9.930 12.158 0.784 1.00 0.00 C ATOM 746 CG1 ILE A 80 10.895 11.651 1.887 1.00 0.00 C ATOM 747 CG2 ILE A 80 10.488 13.399 0.067 1.00 0.00 C ATOM 748 CD1 ILE A 80 12.302 11.294 1.397 1.00 0.00 C ATOM 0 H ILE A 80 9.480 13.704 2.678 1.00 0.00 H new ATOM 0 HA ILE A 80 7.949 12.977 0.545 1.00 0.00 H new ATOM 0 HB ILE A 80 9.850 11.344 0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.978 12.417 2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.456 10.772 2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.490 13.184 -0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.838 13.659 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.532 14.234 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.904 10.950 2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.237 10.503 0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.767 12.175 0.954 1.00 0.00 H new ATOM 760 N PHE A 81 7.955 10.560 2.792 1.00 0.00 N ATOM 761 CA PHE A 81 7.316 9.321 3.229 1.00 0.00 C ATOM 762 C PHE A 81 5.785 9.442 3.237 1.00 0.00 C ATOM 763 O PHE A 81 5.107 8.573 2.689 1.00 0.00 O ATOM 764 CB PHE A 81 7.868 8.909 4.608 1.00 0.00 C ATOM 765 CG PHE A 81 8.199 7.431 4.725 1.00 0.00 C ATOM 766 CD1 PHE A 81 7.226 6.455 4.432 1.00 0.00 C ATOM 767 CD2 PHE A 81 9.488 7.027 5.126 1.00 0.00 C ATOM 768 CE1 PHE A 81 7.544 5.089 4.518 1.00 0.00 C ATOM 769 CE2 PHE A 81 9.803 5.660 5.228 1.00 0.00 C ATOM 770 CZ PHE A 81 8.832 4.691 4.919 1.00 0.00 C ATOM 0 H PHE A 81 8.585 10.950 3.493 1.00 0.00 H new ATOM 0 HA PHE A 81 7.556 8.535 2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.767 9.490 4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.136 9.169 5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.231 6.758 4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.237 7.770 5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.800 4.345 4.276 1.00 0.00 H new ATOM 0 HE2 PHE A 81 10.790 5.355 5.543 1.00 0.00 H new ATOM 0 HZ PHE A 81 9.075 3.641 4.990 1.00 0.00 H new ATOM 780 N ILE A 82 5.246 10.543 3.790 1.00 0.00 N ATOM 781 CA ILE A 82 3.811 10.855 3.745 1.00 0.00 C ATOM 782 C ILE A 82 3.338 10.872 2.286 1.00 0.00 C ATOM 783 O ILE A 82 2.419 10.134 1.935 1.00 0.00 O ATOM 784 CB ILE A 82 3.479 12.170 4.512 1.00 0.00 C ATOM 785 CG1 ILE A 82 3.274 11.862 6.014 1.00 0.00 C ATOM 786 CG2 ILE A 82 2.235 12.879 3.940 1.00 0.00 C ATOM 787 CD1 ILE A 82 3.129 13.090 6.934 1.00 0.00 C ATOM 0 H ILE A 82 5.799 11.244 4.283 1.00 0.00 H new ATOM 0 HA ILE A 82 3.257 10.074 4.266 1.00 0.00 H new ATOM 0 HB ILE A 82 4.323 12.848 4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.383 11.244 6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.118 11.267 6.363 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.043 13.790 4.507 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.409 13.132 2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.372 12.217 4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.990 12.759 7.963 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.028 13.702 6.868 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.266 13.678 6.622 1.00 0.00 H new ATOM 799 N ILE A 83 3.970 11.689 1.433 1.00 0.00 N ATOM 800 CA ILE A 83 3.533 11.869 0.042 1.00 0.00 C ATOM 801 C ILE A 83 3.601 10.562 -0.754 1.00 0.00 C ATOM 802 O ILE A 83 2.700 10.278 -1.548 1.00 0.00 O ATOM 803 CB ILE A 83 4.344 12.972 -0.672 1.00 0.00 C ATOM 804 CG1 ILE A 83 4.361 14.307 0.099 1.00 0.00 C ATOM 805 CG2 ILE A 83 3.794 13.188 -2.095 1.00 0.00 C ATOM 806 CD1 ILE A 83 2.972 14.919 0.317 1.00 0.00 C ATOM 0 H ILE A 83 4.791 12.239 1.684 1.00 0.00 H new ATOM 0 HA ILE A 83 2.490 12.183 0.084 1.00 0.00 H new ATOM 0 HB ILE A 83 5.377 12.626 -0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.833 14.149 1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.980 15.021 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.370 13.967 -2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.874 12.260 -2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.748 13.490 -2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.069 15.856 0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.504 15.111 -0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.355 14.226 0.888 1.00 0.00 H new ATOM 818 N ASN A 84 4.644 9.759 -0.517 1.00 0.00 N ATOM 819 CA ASN A 84 4.811 8.448 -1.128 1.00 0.00 C ATOM 820 C ASN A 84 3.608 7.558 -0.799 1.00 0.00 C ATOM 821 O ASN A 84 2.908 7.123 -1.714 1.00 0.00 O ATOM 822 CB ASN A 84 6.152 7.839 -0.674 1.00 0.00 C ATOM 823 CG ASN A 84 6.639 6.728 -1.594 1.00 0.00 C ATOM 824 OD1 ASN A 84 6.325 6.668 -2.771 1.00 0.00 O ATOM 825 ND2 ASN A 84 7.456 5.830 -1.085 1.00 0.00 N ATOM 0 H ASN A 84 5.404 10.011 0.115 1.00 0.00 H new ATOM 0 HA ASN A 84 4.846 8.536 -2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.906 8.625 -0.631 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.043 7.446 0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.826 5.085 -1.675 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.719 5.880 -0.101 1.00 0.00 H new ATOM 832 N GLN A 85 3.331 7.353 0.500 1.00 0.00 N ATOM 833 CA GLN A 85 2.191 6.568 0.979 1.00 0.00 C ATOM 834 C GLN A 85 0.864 7.091 0.421 1.00 0.00 C ATOM 835 O GLN A 85 0.034 6.286 0.002 1.00 0.00 O ATOM 836 CB GLN A 85 2.143 6.570 2.518 1.00 0.00 C ATOM 837 CG GLN A 85 3.330 5.855 3.184 1.00 0.00 C ATOM 838 CD GLN A 85 3.278 4.341 3.027 1.00 0.00 C ATOM 839 OE1 GLN A 85 4.110 3.732 2.375 1.00 0.00 O ATOM 840 NE2 GLN A 85 2.304 3.677 3.621 1.00 0.00 N ATOM 0 H GLN A 85 3.903 7.735 1.253 1.00 0.00 H new ATOM 0 HA GLN A 85 2.329 5.548 0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 85 2.111 7.602 2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.218 6.094 2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.259 6.228 2.753 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.348 6.104 4.245 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.604 4.179 4.168 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.251 2.662 3.533 1.00 0.00 H new ATOM 849 N VAL A 86 0.679 8.421 0.380 1.00 0.00 N ATOM 850 CA VAL A 86 -0.494 9.078 -0.211 1.00 0.00 C ATOM 851 C VAL A 86 -0.656 8.666 -1.672 1.00 0.00 C ATOM 852 O VAL A 86 -1.598 7.943 -1.988 1.00 0.00 O ATOM 853 CB VAL A 86 -0.427 10.614 -0.062 1.00 0.00 C ATOM 854 CG1 VAL A 86 -1.563 11.308 -0.828 1.00 0.00 C ATOM 855 CG2 VAL A 86 -0.473 11.060 1.407 1.00 0.00 C ATOM 0 H VAL A 86 1.355 9.081 0.765 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.375 8.746 0.338 1.00 0.00 H new ATOM 0 HB VAL A 86 0.531 10.911 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.482 12.387 -0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.490 11.062 -1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.524 10.967 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.423 12.148 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.402 10.717 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.374 10.632 1.944 1.00 0.00 H new ATOM 865 N SER A 87 0.241 9.105 -2.566 1.00 0.00 N ATOM 866 CA SER A 87 0.112 8.852 -4.006 1.00 0.00 C ATOM 867 C SER A 87 -0.048 7.355 -4.287 1.00 0.00 C ATOM 868 O SER A 87 -1.007 6.958 -4.949 1.00 0.00 O ATOM 869 CB SER A 87 1.313 9.437 -4.755 1.00 0.00 C ATOM 870 OG SER A 87 1.009 9.608 -6.126 1.00 0.00 O ATOM 0 H SER A 87 1.071 9.642 -2.313 1.00 0.00 H new ATOM 0 HA SER A 87 -0.788 9.348 -4.368 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.591 10.395 -4.316 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.173 8.776 -4.647 1.00 0.00 H new ATOM 0 HG SER A 87 1.787 9.984 -6.589 1.00 0.00 H new ATOM 876 N LEU A 88 0.814 6.516 -3.695 1.00 0.00 N ATOM 877 CA LEU A 88 0.700 5.059 -3.762 1.00 0.00 C ATOM 878 C LEU A 88 -0.708 4.582 -3.397 1.00 0.00 C ATOM 879 O LEU A 88 -1.311 3.863 -4.192 1.00 0.00 O ATOM 880 CB LEU A 88 1.756 4.406 -2.852 1.00 0.00 C ATOM 881 CG LEU A 88 3.164 4.411 -3.474 1.00 0.00 C ATOM 882 CD1 LEU A 88 4.208 4.075 -2.405 1.00 0.00 C ATOM 883 CD2 LEU A 88 3.273 3.398 -4.629 1.00 0.00 C ATOM 0 H LEU A 88 1.616 6.836 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 88 0.883 4.753 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.783 4.933 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.461 3.378 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 88 3.348 5.409 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.202 4.080 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.165 4.818 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.001 3.088 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.280 3.428 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.065 2.396 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.552 3.653 -5.406 1.00 0.00 H new ATOM 895 N PHE A 89 -1.248 5.005 -2.247 1.00 0.00 N ATOM 896 CA PHE A 89 -2.599 4.649 -1.820 1.00 0.00 C ATOM 897 C PHE A 89 -3.653 4.991 -2.878 1.00 0.00 C ATOM 898 O PHE A 89 -4.460 4.122 -3.187 1.00 0.00 O ATOM 899 CB PHE A 89 -2.934 5.294 -0.468 1.00 0.00 C ATOM 900 CG PHE A 89 -4.315 4.939 0.042 1.00 0.00 C ATOM 901 CD1 PHE A 89 -4.585 3.624 0.462 1.00 0.00 C ATOM 902 CD2 PHE A 89 -5.339 5.906 0.065 1.00 0.00 C ATOM 903 CE1 PHE A 89 -5.874 3.271 0.894 1.00 0.00 C ATOM 904 CE2 PHE A 89 -6.624 5.558 0.515 1.00 0.00 C ATOM 905 CZ PHE A 89 -6.893 4.239 0.925 1.00 0.00 C ATOM 0 H PHE A 89 -0.755 5.606 -1.587 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.622 3.566 -1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.192 4.984 0.268 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.857 6.377 -0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.799 2.884 0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.137 6.915 -0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.082 2.257 1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.405 6.303 0.546 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.883 3.970 1.264 1.00 0.00 H new ATOM 915 N LEU A 90 -3.631 6.199 -3.466 1.00 0.00 N ATOM 916 CA LEU A 90 -4.585 6.599 -4.512 1.00 0.00 C ATOM 917 C LEU A 90 -4.578 5.633 -5.707 1.00 0.00 C ATOM 918 O LEU A 90 -5.636 5.139 -6.110 1.00 0.00 O ATOM 919 CB LEU A 90 -4.306 8.026 -5.029 1.00 0.00 C ATOM 920 CG LEU A 90 -4.813 9.215 -4.196 1.00 0.00 C ATOM 921 CD1 LEU A 90 -6.290 9.099 -3.810 1.00 0.00 C ATOM 922 CD2 LEU A 90 -3.975 9.460 -2.950 1.00 0.00 C ATOM 0 H LEU A 90 -2.953 6.923 -3.230 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.567 6.571 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.227 8.134 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.740 8.109 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.708 10.075 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.582 9.970 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.899 9.048 -4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.442 8.196 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.379 10.311 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.999 8.574 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.946 9.671 -3.240 1.00 0.00 H new ATOM 934 N ILE A 91 -3.398 5.375 -6.292 1.00 0.00 N ATOM 935 CA ILE A 91 -3.286 4.458 -7.434 1.00 0.00 C ATOM 936 C ILE A 91 -3.679 3.033 -7.027 1.00 0.00 C ATOM 937 O ILE A 91 -4.503 2.418 -7.707 1.00 0.00 O ATOM 938 CB ILE A 91 -1.882 4.488 -8.082 1.00 0.00 C ATOM 939 CG1 ILE A 91 -1.581 5.846 -8.767 1.00 0.00 C ATOM 940 CG2 ILE A 91 -1.774 3.373 -9.143 1.00 0.00 C ATOM 941 CD1 ILE A 91 -0.773 6.818 -7.905 1.00 0.00 C ATOM 0 H ILE A 91 -2.513 5.786 -5.994 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.986 4.806 -8.194 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.157 4.337 -7.282 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.037 5.660 -9.693 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.524 6.319 -9.041 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.783 3.398 -9.597 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.932 2.404 -8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.530 3.529 -9.913 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.606 7.742 -8.458 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.323 7.037 -6.990 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.187 6.368 -7.652 1.00 0.00 H new ATOM 953 N ILE A 92 -3.098 2.512 -5.936 1.00 0.00 N ATOM 954 CA ILE A 92 -3.357 1.158 -5.427 1.00 0.00 C ATOM 955 C ILE A 92 -4.855 0.956 -5.168 1.00 0.00 C ATOM 956 O ILE A 92 -5.396 -0.073 -5.570 1.00 0.00 O ATOM 957 CB ILE A 92 -2.505 0.871 -4.166 1.00 0.00 C ATOM 958 CG1 ILE A 92 -1.000 0.801 -4.524 1.00 0.00 C ATOM 959 CG2 ILE A 92 -2.934 -0.441 -3.484 1.00 0.00 C ATOM 960 CD1 ILE A 92 -0.083 0.862 -3.294 1.00 0.00 C ATOM 0 H ILE A 92 -2.423 3.030 -5.373 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.058 0.436 -6.187 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.670 1.693 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.805 -0.123 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.754 1.625 -5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.316 -0.612 -2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.980 -0.371 -3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.810 -1.270 -4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.958 0.808 -3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.251 1.798 -2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.304 0.023 -2.634 1.00 0.00 H new ATOM 972 N LEU A 93 -5.531 1.949 -4.574 1.00 0.00 N ATOM 973 CA LEU A 93 -6.982 1.998 -4.405 1.00 0.00 C ATOM 974 C LEU A 93 -7.686 1.821 -5.751 1.00 0.00 C ATOM 975 O LEU A 93 -8.467 0.879 -5.897 1.00 0.00 O ATOM 976 CB LEU A 93 -7.367 3.312 -3.691 1.00 0.00 C ATOM 977 CG LEU A 93 -8.839 3.751 -3.798 1.00 0.00 C ATOM 978 CD1 LEU A 93 -9.793 2.678 -3.269 1.00 0.00 C ATOM 979 CD2 LEU A 93 -9.062 5.069 -3.046 1.00 0.00 C ATOM 0 H LEU A 93 -5.062 2.767 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.315 1.172 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.118 3.211 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.743 4.112 -4.090 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.058 3.899 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.821 3.027 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.667 1.762 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.571 2.479 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.108 5.365 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.808 4.935 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.429 5.845 -3.476 1.00 0.00 H new ATOM 991 N HIS A 94 -7.421 2.699 -6.727 1.00 0.00 N ATOM 992 CA HIS A 94 -8.109 2.639 -8.016 1.00 0.00 C ATOM 993 C HIS A 94 -7.840 1.312 -8.743 1.00 0.00 C ATOM 994 O HIS A 94 -8.778 0.691 -9.238 1.00 0.00 O ATOM 995 CB HIS A 94 -7.728 3.855 -8.878 1.00 0.00 C ATOM 996 CG HIS A 94 -8.674 4.148 -10.025 1.00 0.00 C ATOM 997 ND1 HIS A 94 -8.483 5.127 -10.978 1.00 0.00 N ATOM 998 CD2 HIS A 94 -9.890 3.564 -10.281 1.00 0.00 C ATOM 999 CE1 HIS A 94 -9.564 5.134 -11.779 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -10.440 4.193 -11.399 1.00 0.00 N ATOM 0 H HIS A 94 -6.739 3.453 -6.646 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.183 2.678 -7.833 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.676 4.734 -8.236 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.728 3.696 -9.283 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.341 2.761 -9.717 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.706 5.805 -12.613 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.334 3.979 -11.841 1.00 0.00 H new ATOM 1008 N SER A 95 -6.585 0.844 -8.758 1.00 0.00 N ATOM 1009 CA SER A 95 -6.197 -0.442 -9.355 1.00 0.00 C ATOM 1010 C SER A 95 -6.907 -1.625 -8.689 1.00 0.00 C ATOM 1011 O SER A 95 -7.525 -2.434 -9.383 1.00 0.00 O ATOM 1012 CB SER A 95 -4.678 -0.638 -9.297 1.00 0.00 C ATOM 1013 OG SER A 95 -4.040 0.321 -10.115 1.00 0.00 O ATOM 0 H SER A 95 -5.801 1.354 -8.351 1.00 0.00 H new ATOM 0 HA SER A 95 -6.510 -0.412 -10.399 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.329 -0.542 -8.269 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.419 -1.643 -9.630 1.00 0.00 H new ATOM 0 HG SER A 95 -4.032 1.188 -9.658 1.00 0.00 H new ATOM 1019 N ALA A 96 -6.857 -1.718 -7.351 1.00 0.00 N ATOM 1020 CA ALA A 96 -7.529 -2.775 -6.600 1.00 0.00 C ATOM 1021 C ALA A 96 -9.047 -2.743 -6.820 1.00 0.00 C ATOM 1022 O ALA A 96 -9.639 -3.792 -7.087 1.00 0.00 O ATOM 1023 CB ALA A 96 -7.182 -2.659 -5.111 1.00 0.00 C ATOM 0 H ALA A 96 -6.347 -1.058 -6.764 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.173 -3.737 -6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.687 -3.451 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.104 -2.755 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.508 -1.689 -4.736 1.00 0.00 H new ATOM 1029 N LEU A 97 -9.667 -1.549 -6.761 1.00 0.00 N ATOM 1030 CA LEU A 97 -11.080 -1.367 -7.095 1.00 0.00 C ATOM 1031 C LEU A 97 -11.393 -1.875 -8.497 1.00 0.00 C ATOM 1032 O LEU A 97 -12.327 -2.656 -8.648 1.00 0.00 O ATOM 1033 CB LEU A 97 -11.549 0.093 -6.940 1.00 0.00 C ATOM 1034 CG LEU A 97 -12.103 0.405 -5.540 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -12.390 1.906 -5.426 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -13.410 -0.343 -5.218 1.00 0.00 C ATOM 0 H LEU A 97 -9.197 -0.688 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 97 -11.637 -1.965 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.713 0.761 -7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -12.319 0.302 -7.683 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.341 0.077 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -12.783 2.127 -4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.468 2.466 -5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -13.124 2.194 -6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.744 -0.076 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.176 -0.065 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.236 -1.418 -5.268 1.00 0.00 H new ATOM 1048 N TYR A 98 -10.614 -1.473 -9.505 1.00 0.00 N ATOM 1049 CA TYR A 98 -10.830 -1.918 -10.877 1.00 0.00 C ATOM 1050 C TYR A 98 -10.742 -3.444 -10.989 1.00 0.00 C ATOM 1051 O TYR A 98 -11.608 -4.055 -11.612 1.00 0.00 O ATOM 1052 CB TYR A 98 -9.852 -1.211 -11.824 1.00 0.00 C ATOM 1053 CG TYR A 98 -10.429 -0.974 -13.203 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -11.264 0.140 -13.423 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -10.128 -1.848 -14.262 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -11.773 0.402 -14.709 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -10.647 -1.601 -15.547 1.00 0.00 C ATOM 1058 CZ TYR A 98 -11.449 -0.463 -15.780 1.00 0.00 C ATOM 1059 OH TYR A 98 -11.877 -0.198 -17.046 1.00 0.00 O ATOM 0 H TYR A 98 -9.825 -0.837 -9.391 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.841 -1.643 -11.177 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.561 -0.255 -11.389 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -8.945 -1.809 -11.914 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.514 0.795 -12.602 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.499 -2.709 -14.090 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.408 1.259 -14.877 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -10.431 -2.283 -16.356 1.00 0.00 H new ATOM 0 HH TYR A 98 -11.559 -0.899 -17.652 1.00 0.00 H new ATOM 1069 N PHE A 99 -9.750 -4.064 -10.330 1.00 0.00 N ATOM 1070 CA PHE A 99 -9.584 -5.516 -10.293 1.00 0.00 C ATOM 1071 C PHE A 99 -10.782 -6.237 -9.658 1.00 0.00 C ATOM 1072 O PHE A 99 -11.308 -7.182 -10.248 1.00 0.00 O ATOM 1073 CB PHE A 99 -8.264 -5.893 -9.605 1.00 0.00 C ATOM 1074 CG PHE A 99 -7.851 -7.344 -9.805 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -7.798 -7.897 -11.101 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -7.492 -8.142 -8.700 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -7.413 -9.235 -11.291 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -7.089 -9.476 -8.892 1.00 0.00 C ATOM 1079 CZ PHE A 99 -7.054 -10.025 -10.186 1.00 0.00 C ATOM 0 H PHE A 99 -9.036 -3.561 -9.804 1.00 0.00 H new ATOM 0 HA PHE A 99 -9.542 -5.860 -11.327 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -7.472 -5.246 -9.982 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -8.354 -5.696 -8.537 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.055 -7.287 -11.954 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.526 -7.728 -7.703 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -7.393 -9.656 -12.285 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.806 -10.080 -8.043 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.752 -11.052 -10.330 1.00 0.00 H new ATOM 1089 N LYS A 100 -11.271 -5.789 -8.491 1.00 0.00 N ATOM 1090 CA LYS A 100 -12.492 -6.381 -7.921 1.00 0.00 C ATOM 1091 C LYS A 100 -13.744 -6.087 -8.763 1.00 0.00 C ATOM 1092 O LYS A 100 -14.619 -6.941 -8.837 1.00 0.00 O ATOM 1093 CB LYS A 100 -12.672 -6.020 -6.440 1.00 0.00 C ATOM 1094 CG LYS A 100 -12.923 -4.525 -6.216 1.00 0.00 C ATOM 1095 CD LYS A 100 -13.613 -4.182 -4.894 1.00 0.00 C ATOM 1096 CE LYS A 100 -12.646 -3.510 -3.916 1.00 0.00 C ATOM 1097 NZ LYS A 100 -13.376 -3.012 -2.728 1.00 0.00 N ATOM 0 H LYS A 100 -10.855 -5.041 -7.937 1.00 0.00 H new ATOM 0 HA LYS A 100 -12.359 -7.462 -7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -13.508 -6.589 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.782 -6.320 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.969 -4.000 -6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -13.532 -4.146 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -14.458 -3.521 -5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -14.014 -5.091 -4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -11.879 -4.220 -3.608 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.135 -2.683 -4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.706 -2.559 -2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.092 -2.319 -3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -13.843 -3.808 -2.249 1.00 0.00 H new ATOM 1111 N TYR A 101 -13.824 -4.931 -9.429 1.00 0.00 N ATOM 1112 CA TYR A 101 -14.947 -4.525 -10.280 1.00 0.00 C ATOM 1113 C TYR A 101 -15.050 -5.363 -11.561 1.00 0.00 C ATOM 1114 O TYR A 101 -16.155 -5.699 -11.987 1.00 0.00 O ATOM 1115 CB TYR A 101 -14.815 -3.026 -10.605 1.00 0.00 C ATOM 1116 CG TYR A 101 -15.414 -2.604 -11.929 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -16.783 -2.298 -12.027 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -14.597 -2.583 -13.079 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -17.336 -1.957 -13.275 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -15.145 -2.244 -14.328 1.00 0.00 C ATOM 1121 CZ TYR A 101 -16.517 -1.920 -14.422 1.00 0.00 C ATOM 1122 OH TYR A 101 -17.054 -1.546 -15.615 1.00 0.00 O ATOM 0 H TYR A 101 -13.085 -4.229 -9.389 1.00 0.00 H new ATOM 0 HA TYR A 101 -15.872 -4.703 -9.731 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -15.291 -2.454 -9.809 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.758 -2.760 -10.600 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -17.408 -2.325 -11.147 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -13.548 -2.828 -12.999 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -18.388 -1.724 -13.354 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -14.522 -2.231 -15.210 1.00 0.00 H new ATOM 0 HH TYR A 101 -16.361 -1.570 -16.308 1.00 0.00 H new ATOM 1132 N LEU A 102 -13.917 -5.707 -12.182 1.00 0.00 N ATOM 1133 CA LEU A 102 -13.913 -6.588 -13.348 1.00 0.00 C ATOM 1134 C LEU A 102 -14.144 -8.050 -12.936 1.00 0.00 C ATOM 1135 O LEU A 102 -14.910 -8.751 -13.598 1.00 0.00 O ATOM 1136 CB LEU A 102 -12.653 -6.338 -14.203 1.00 0.00 C ATOM 1137 CG LEU A 102 -11.300 -6.657 -13.535 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -10.903 -8.138 -13.604 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -10.187 -5.797 -14.134 1.00 0.00 C ATOM 0 H LEU A 102 -12.992 -5.387 -11.894 1.00 0.00 H new ATOM 0 HA LEU A 102 -14.755 -6.351 -13.998 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.734 -6.932 -15.113 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -12.647 -5.291 -14.505 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.433 -6.420 -12.479 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.940 -8.280 -13.113 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.659 -8.741 -13.102 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.827 -8.446 -14.647 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.241 -6.037 -13.649 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.108 -5.997 -15.203 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.417 -4.743 -13.978 1.00 0.00 H new ATOM 1151 N LEU A 103 -13.542 -8.510 -11.827 1.00 0.00 N ATOM 1152 CA LEU A 103 -13.687 -9.898 -11.380 1.00 0.00 C ATOM 1153 C LEU A 103 -15.085 -10.186 -10.795 1.00 0.00 C ATOM 1154 O LEU A 103 -15.589 -11.298 -10.951 1.00 0.00 O ATOM 1155 CB LEU A 103 -12.508 -10.296 -10.459 1.00 0.00 C ATOM 1156 CG LEU A 103 -12.808 -10.297 -8.945 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -13.456 -11.622 -8.503 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -11.538 -10.065 -8.123 1.00 0.00 C ATOM 0 H LEU A 103 -12.950 -7.937 -11.225 1.00 0.00 H new ATOM 0 HA LEU A 103 -13.628 -10.552 -12.250 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.170 -11.292 -10.744 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.679 -9.613 -10.645 1.00 0.00 H new ATOM 0 HG LEU A 103 -13.505 -9.479 -8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.655 -11.590 -7.432 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.393 -11.766 -9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -12.780 -12.449 -8.722 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.785 -10.072 -7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.819 -10.857 -8.333 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.104 -9.101 -8.388 1.00 0.00 H new ATOM 1170 N SER A 104 -15.729 -9.195 -10.159 1.00 0.00 N ATOM 1171 CA SER A 104 -17.049 -9.347 -9.533 1.00 0.00 C ATOM 1172 C SER A 104 -18.115 -9.805 -10.529 1.00 0.00 C ATOM 1173 O SER A 104 -18.917 -10.664 -10.185 1.00 0.00 O ATOM 1174 CB SER A 104 -17.503 -8.045 -8.863 1.00 0.00 C ATOM 1175 OG SER A 104 -17.572 -7.005 -9.813 1.00 0.00 O ATOM 0 H SER A 104 -15.342 -8.256 -10.065 1.00 0.00 H new ATOM 0 HA SER A 104 -16.937 -10.121 -8.774 1.00 0.00 H new ATOM 0 HB2 SER A 104 -18.479 -8.188 -8.398 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.808 -7.775 -8.068 1.00 0.00 H new ATOM 0 HG SER A 104 -16.722 -6.947 -10.297 1.00 0.00 H new ATOM 1181 N ASN A 105 -18.089 -9.271 -11.758 1.00 0.00 N ATOM 1182 CA ASN A 105 -18.972 -9.675 -12.857 1.00 0.00 C ATOM 1183 C ASN A 105 -18.529 -10.990 -13.522 1.00 0.00 C ATOM 1184 O ASN A 105 -19.375 -11.745 -13.991 1.00 0.00 O ATOM 1185 CB ASN A 105 -19.020 -8.553 -13.916 1.00 0.00 C ATOM 1186 CG ASN A 105 -20.423 -8.007 -14.168 1.00 0.00 C ATOM 1187 OD1 ASN A 105 -21.412 -8.711 -14.321 1.00 0.00 O ATOM 1188 ND2 ASN A 105 -20.541 -6.700 -14.273 1.00 0.00 N ATOM 0 H ASN A 105 -17.439 -8.530 -12.020 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.961 -9.845 -12.432 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -18.374 -7.736 -13.596 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.614 -8.933 -14.853 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -21.450 -6.285 -14.480 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -19.724 -6.102 -14.148 1.00 0.00 H new ATOM 1195 N TYR A 106 -17.215 -11.271 -13.582 1.00 0.00 N ATOM 1196 CA TYR A 106 -16.695 -12.539 -14.117 1.00 0.00 C ATOM 1197 C TYR A 106 -17.138 -13.764 -13.299 1.00 0.00 C ATOM 1198 O TYR A 106 -17.159 -14.873 -13.834 1.00 0.00 O ATOM 1199 CB TYR A 106 -15.157 -12.517 -14.188 1.00 0.00 C ATOM 1200 CG TYR A 106 -14.553 -11.981 -15.474 1.00 0.00 C ATOM 1201 CD1 TYR A 106 -14.913 -12.556 -16.709 1.00 0.00 C ATOM 1202 CD2 TYR A 106 -13.571 -10.972 -15.436 1.00 0.00 C ATOM 1203 CE1 TYR A 106 -14.303 -12.117 -17.899 1.00 0.00 C ATOM 1204 CE2 TYR A 106 -12.951 -10.533 -16.621 1.00 0.00 C ATOM 1205 CZ TYR A 106 -13.312 -11.113 -17.859 1.00 0.00 C ATOM 1206 OH TYR A 106 -12.678 -10.742 -19.005 1.00 0.00 O ATOM 0 H TYR A 106 -16.489 -10.629 -13.263 1.00 0.00 H new ATOM 0 HA TYR A 106 -17.116 -12.633 -15.118 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -14.784 -11.917 -13.358 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -14.792 -13.533 -14.036 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -15.659 -13.336 -16.743 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -13.292 -10.532 -14.490 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -14.594 -12.549 -18.845 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -12.202 -9.756 -16.585 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.025 -10.039 -18.805 1.00 0.00 H new ATOM 1216 N SER A 107 -17.495 -13.573 -12.024 1.00 0.00 N ATOM 1217 CA SER A 107 -18.027 -14.613 -11.143 1.00 0.00 C ATOM 1218 C SER A 107 -19.462 -14.306 -10.686 1.00 0.00 C ATOM 1219 O SER A 107 -20.046 -13.282 -11.026 1.00 0.00 O ATOM 1220 CB SER A 107 -17.069 -14.803 -9.963 1.00 0.00 C ATOM 1221 OG SER A 107 -17.324 -16.035 -9.312 1.00 0.00 O ATOM 0 H SER A 107 -17.419 -12.665 -11.566 1.00 0.00 H new ATOM 0 HA SER A 107 -18.093 -15.549 -11.697 1.00 0.00 H new ATOM 0 HB2 SER A 107 -16.038 -14.778 -10.316 1.00 0.00 H new ATOM 0 HB3 SER A 107 -17.184 -13.981 -9.257 1.00 0.00 H new ATOM 0 HG SER A 107 -16.703 -16.143 -8.561 1.00 0.00 H new ATOM 1227 N SER A 108 -20.052 -15.215 -9.906 1.00 0.00 N ATOM 1228 CA SER A 108 -21.369 -15.017 -9.293 1.00 0.00 C ATOM 1229 C SER A 108 -21.235 -14.178 -8.015 1.00 0.00 C ATOM 1230 O SER A 108 -20.964 -14.727 -6.945 1.00 0.00 O ATOM 1231 CB SER A 108 -22.041 -16.362 -8.981 1.00 0.00 C ATOM 1232 OG SER A 108 -22.476 -17.016 -10.159 1.00 0.00 O ATOM 0 H SER A 108 -19.627 -16.115 -9.680 1.00 0.00 H new ATOM 0 HA SER A 108 -21.999 -14.483 -10.004 1.00 0.00 H new ATOM 0 HB2 SER A 108 -21.340 -17.003 -8.446 1.00 0.00 H new ATOM 0 HB3 SER A 108 -22.892 -16.199 -8.320 1.00 0.00 H new ATOM 0 HG SER A 108 -22.897 -17.869 -9.923 1.00 0.00 H new ATOM 1238 N VAL A 109 -21.422 -12.854 -8.121 1.00 0.00 N ATOM 1239 CA VAL A 109 -21.408 -11.922 -6.979 1.00 0.00 C ATOM 1240 C VAL A 109 -22.623 -10.984 -7.039 1.00 0.00 C ATOM 1241 O VAL A 109 -22.574 -9.933 -7.678 1.00 0.00 O ATOM 1242 CB VAL A 109 -20.078 -11.134 -6.872 1.00 0.00 C ATOM 1243 CG1 VAL A 109 -20.007 -10.374 -5.531 1.00 0.00 C ATOM 1244 CG2 VAL A 109 -18.842 -12.040 -7.010 1.00 0.00 C ATOM 0 H VAL A 109 -21.590 -12.392 -9.015 1.00 0.00 H new ATOM 0 HA VAL A 109 -21.479 -12.517 -6.069 1.00 0.00 H new ATOM 0 HB VAL A 109 -20.067 -10.427 -7.702 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -19.067 -9.826 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -20.840 -9.674 -5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -20.065 -11.085 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -17.938 -11.437 -6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -18.851 -12.791 -6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -18.860 -12.535 -7.981 1.00 0.00 H new ATOM 1254 N THR A 110 -23.724 -11.403 -6.401 1.00 0.00 N ATOM 1255 CA THR A 110 -24.970 -10.630 -6.235 1.00 0.00 C ATOM 1256 C THR A 110 -24.835 -9.572 -5.134 1.00 0.00 C ATOM 1257 O THR A 110 -24.823 -9.982 -3.950 1.00 0.00 O ATOM 1258 CB THR A 110 -26.142 -11.569 -5.914 1.00 0.00 C ATOM 1259 OG1 THR A 110 -26.225 -12.567 -6.910 1.00 0.00 O ATOM 1260 CG2 THR A 110 -27.480 -10.823 -5.847 1.00 0.00 C ATOM 0 H THR A 110 -23.777 -12.325 -5.968 1.00 0.00 H new ATOM 0 HA THR A 110 -25.165 -10.116 -7.176 1.00 0.00 H new ATOM 0 HB THR A 110 -25.953 -12.009 -4.935 1.00 0.00 H new ATOM 0 HG1 THR A 110 -26.971 -13.170 -6.708 1.00 0.00 H new ATOM 0 HG21 THR A 110 -28.279 -11.528 -5.617 1.00 0.00 H new ATOM 0 HG22 THR A 110 -27.433 -10.062 -5.068 1.00 0.00 H new ATOM 0 HG23 THR A 110 -27.680 -10.348 -6.807 1.00 0.00 H new TER 1268 THR A 110