USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.015 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.456 K(o=-0.46,f=-1.4!) USER MOD Single : A 28 HIS : no HD1:sc= -4.49 K(o=-4.5,f=-2.5) USER MOD Single : A 37 LYS NZ :NH3+ 145:sc= -0.199 (180deg=-1.33) USER MOD Single : A 41 LYS NZ :NH3+ -163:sc=-0.00377 (180deg=-0.135) USER MOD Single : A 43 MET CE :methyl 172:sc= 0 (180deg=-0.145) USER MOD Single : A 47 LYS NZ :NH3+ -133:sc= 0.141 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.15) USER MOD Single : A 62 CYS SG : rot -139:sc= -1.24 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.9!) USER MOD Single : A 78 HIS : no HE2:sc= -2.85! C(o=-2.9!,f=-3.8!) USER MOD Single : A 81 ASN : amide:sc= -1.05! C(o=-1.1!,f=-2.1!) USER MOD Single : A 86 TYR OH : rot -108:sc= 0.00968 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -0.203 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.797 5.054 -8.404 1.00 0.00 N ATOM 2 CA GLY A 1 -33.080 3.792 -8.437 1.00 0.00 C ATOM 3 C GLY A 1 -32.458 3.444 -7.100 1.00 0.00 C ATOM 4 O GLY A 1 -31.450 4.029 -6.705 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.204 5.247 -9.342 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.560 5.001 -7.700 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.141 5.819 -8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.764 2.997 -8.734 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.299 3.841 -9.196 1.00 0.00 H new ATOM 8 N SER A 2 -33.062 2.488 -6.399 1.00 0.00 N ATOM 9 CA SER A 2 -32.564 2.066 -5.095 1.00 0.00 C ATOM 10 C SER A 2 -31.862 0.715 -5.193 1.00 0.00 C ATOM 11 O SER A 2 -32.506 -0.334 -5.168 1.00 0.00 O ATOM 12 CB SER A 2 -33.713 1.985 -4.089 1.00 0.00 C ATOM 13 OG SER A 2 -33.905 3.227 -3.433 1.00 0.00 O ATOM 0 H SER A 2 -33.896 1.992 -6.713 1.00 0.00 H new ATOM 0 HA SER A 2 -31.842 2.807 -4.752 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.630 1.696 -4.602 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.502 1.210 -3.352 1.00 0.00 H new ATOM 0 HG SER A 2 -34.646 3.150 -2.796 1.00 0.00 H new ATOM 19 N SER A 3 -30.538 0.749 -5.304 1.00 0.00 N ATOM 20 CA SER A 3 -29.748 -0.472 -5.410 1.00 0.00 C ATOM 21 C SER A 3 -29.918 -1.338 -4.165 1.00 0.00 C ATOM 22 O SER A 3 -29.345 -1.055 -3.115 1.00 0.00 O ATOM 23 CB SER A 3 -28.270 -0.132 -5.611 1.00 0.00 C ATOM 24 OG SER A 3 -27.979 0.089 -6.980 1.00 0.00 O ATOM 0 H SER A 3 -29.990 1.609 -5.323 1.00 0.00 H new ATOM 0 HA SER A 3 -30.105 -1.033 -6.274 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.017 0.757 -5.034 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.652 -0.945 -5.231 1.00 0.00 H new ATOM 0 HG SER A 3 -27.029 0.306 -7.082 1.00 0.00 H new ATOM 30 N GLY A 4 -30.712 -2.398 -4.293 1.00 0.00 N ATOM 31 CA GLY A 4 -30.944 -3.290 -3.173 1.00 0.00 C ATOM 32 C GLY A 4 -31.022 -2.552 -1.851 1.00 0.00 C ATOM 33 O GLY A 4 -32.028 -1.910 -1.548 1.00 0.00 O ATOM 0 H GLY A 4 -31.198 -2.654 -5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.872 -3.838 -3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.142 -4.027 -3.127 1.00 0.00 H new ATOM 37 N SER A 5 -29.957 -2.645 -1.060 1.00 0.00 N ATOM 38 CA SER A 5 -29.911 -1.985 0.240 1.00 0.00 C ATOM 39 C SER A 5 -28.632 -1.168 0.389 1.00 0.00 C ATOM 40 O SER A 5 -27.776 -1.167 -0.496 1.00 0.00 O ATOM 41 CB SER A 5 -30.003 -3.020 1.364 1.00 0.00 C ATOM 42 OG SER A 5 -30.266 -2.397 2.609 1.00 0.00 O ATOM 0 H SER A 5 -29.115 -3.170 -1.297 1.00 0.00 H new ATOM 0 HA SER A 5 -30.763 -1.309 0.308 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.792 -3.737 1.139 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.070 -3.581 1.424 1.00 0.00 H new ATOM 0 HG SER A 5 -30.322 -3.079 3.311 1.00 0.00 H new ATOM 48 N SER A 6 -28.509 -0.474 1.516 1.00 0.00 N ATOM 49 CA SER A 6 -27.336 0.351 1.781 1.00 0.00 C ATOM 50 C SER A 6 -26.519 -0.221 2.936 1.00 0.00 C ATOM 51 O SER A 6 -26.999 -1.063 3.693 1.00 0.00 O ATOM 52 CB SER A 6 -27.758 1.787 2.102 1.00 0.00 C ATOM 53 OG SER A 6 -28.724 1.815 3.138 1.00 0.00 O ATOM 0 H SER A 6 -29.207 -0.467 2.260 1.00 0.00 H new ATOM 0 HA SER A 6 -26.715 0.354 0.885 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.885 2.368 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.166 2.258 1.208 1.00 0.00 H new ATOM 0 HG SER A 6 -28.976 2.743 3.325 1.00 0.00 H new ATOM 59 N GLY A 7 -25.280 0.245 3.064 1.00 0.00 N ATOM 60 CA GLY A 7 -24.415 -0.231 4.128 1.00 0.00 C ATOM 61 C GLY A 7 -23.202 -0.971 3.601 1.00 0.00 C ATOM 62 O GLY A 7 -23.323 -2.069 3.059 1.00 0.00 O ATOM 0 H GLY A 7 -24.860 0.943 2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.087 0.615 4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.982 -0.890 4.785 1.00 0.00 H new ATOM 66 N ARG A 8 -22.028 -0.367 3.759 1.00 0.00 N ATOM 67 CA ARG A 8 -20.788 -0.975 3.292 1.00 0.00 C ATOM 68 C ARG A 8 -20.147 -1.816 4.392 1.00 0.00 C ATOM 69 O ARG A 8 -20.590 -1.795 5.541 1.00 0.00 O ATOM 70 CB ARG A 8 -19.810 0.105 2.826 1.00 0.00 C ATOM 71 CG ARG A 8 -19.950 0.461 1.355 1.00 0.00 C ATOM 72 CD ARG A 8 -19.170 -0.502 0.473 1.00 0.00 C ATOM 73 NE ARG A 8 -17.730 -0.404 0.696 1.00 0.00 N ATOM 74 CZ ARG A 8 -16.843 -1.226 0.146 1.00 0.00 C ATOM 75 NH1 ARG A 8 -17.247 -2.202 -0.655 1.00 0.00 N ATOM 76 NH2 ARG A 8 -15.549 -1.073 0.398 1.00 0.00 N ATOM 0 H ARG A 8 -21.910 0.542 4.206 1.00 0.00 H new ATOM 0 HA ARG A 8 -21.026 -1.627 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -19.962 1.003 3.424 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.791 -0.234 3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -21.003 0.443 1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.594 1.478 1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.499 -1.522 0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.390 -0.294 -0.574 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.386 0.336 1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -18.241 -2.323 -0.850 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.564 -2.832 -1.076 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.235 -0.324 1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.869 -1.705 -0.025 1.00 0.00 H new ATOM 90 N ILE A 9 -19.104 -2.555 4.032 1.00 0.00 N ATOM 91 CA ILE A 9 -18.403 -3.403 4.989 1.00 0.00 C ATOM 92 C ILE A 9 -16.928 -3.540 4.625 1.00 0.00 C ATOM 93 O ILE A 9 -16.462 -2.956 3.646 1.00 0.00 O ATOM 94 CB ILE A 9 -19.033 -4.806 5.066 1.00 0.00 C ATOM 95 CG1 ILE A 9 -19.476 -5.267 3.676 1.00 0.00 C ATOM 96 CG2 ILE A 9 -20.210 -4.806 6.030 1.00 0.00 C ATOM 97 CD1 ILE A 9 -18.326 -5.657 2.773 1.00 0.00 C ATOM 0 H ILE A 9 -18.725 -2.584 3.085 1.00 0.00 H new ATOM 0 HA ILE A 9 -18.492 -2.920 5.962 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.284 -5.505 5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -20.149 -6.118 3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -20.045 -4.468 3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.645 -5.805 6.074 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.867 -4.516 7.023 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -20.963 -4.097 5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -18.715 -5.973 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.664 -4.802 2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.770 -6.478 3.226 1.00 0.00 H new ATOM 109 N VAL A 10 -16.198 -4.317 5.418 1.00 0.00 N ATOM 110 CA VAL A 10 -14.776 -4.533 5.178 1.00 0.00 C ATOM 111 C VAL A 10 -14.524 -5.913 4.579 1.00 0.00 C ATOM 112 O VAL A 10 -13.548 -6.119 3.859 1.00 0.00 O ATOM 113 CB VAL A 10 -13.960 -4.392 6.477 1.00 0.00 C ATOM 114 CG1 VAL A 10 -12.487 -4.669 6.214 1.00 0.00 C ATOM 115 CG2 VAL A 10 -14.151 -3.008 7.078 1.00 0.00 C ATOM 0 H VAL A 10 -16.568 -4.808 6.232 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.454 -3.769 4.471 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.322 -5.128 7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.926 -4.565 7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.370 -5.683 5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.109 -3.958 5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.568 -2.926 7.995 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.817 -2.253 6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.206 -2.852 7.304 1.00 0.00 H new ATOM 125 N GLY A 11 -15.411 -6.855 4.883 1.00 0.00 N ATOM 126 CA GLY A 11 -15.267 -8.204 4.366 1.00 0.00 C ATOM 127 C GLY A 11 -14.808 -9.185 5.426 1.00 0.00 C ATOM 128 O GLY A 11 -14.755 -8.850 6.609 1.00 0.00 O ATOM 0 H GLY A 11 -16.227 -6.709 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -16.221 -8.536 3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.551 -8.200 3.544 1.00 0.00 H new ATOM 132 N GLU A 12 -14.476 -10.400 5.002 1.00 0.00 N ATOM 133 CA GLU A 12 -14.021 -11.433 5.925 1.00 0.00 C ATOM 134 C GLU A 12 -12.512 -11.634 5.816 1.00 0.00 C ATOM 135 O GLU A 12 -11.924 -11.438 4.752 1.00 0.00 O ATOM 136 CB GLU A 12 -14.744 -12.752 5.646 1.00 0.00 C ATOM 137 CG GLU A 12 -16.090 -12.867 6.341 1.00 0.00 C ATOM 138 CD GLU A 12 -15.959 -13.080 7.836 1.00 0.00 C ATOM 139 OE1 GLU A 12 -15.525 -12.138 8.533 1.00 0.00 O ATOM 140 OE2 GLU A 12 -16.288 -14.187 8.310 1.00 0.00 O ATOM 0 H GLU A 12 -14.514 -10.693 4.026 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.254 -11.107 6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.890 -12.856 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.109 -13.579 5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.668 -11.962 6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.649 -13.696 5.907 1.00 0.00 H new ATOM 147 N LEU A 13 -11.892 -12.027 6.923 1.00 0.00 N ATOM 148 CA LEU A 13 -10.452 -12.255 6.954 1.00 0.00 C ATOM 149 C LEU A 13 -10.036 -13.255 5.880 1.00 0.00 C ATOM 150 O LEU A 13 -9.258 -12.929 4.984 1.00 0.00 O ATOM 151 CB LEU A 13 -10.025 -12.762 8.332 1.00 0.00 C ATOM 152 CG LEU A 13 -9.975 -11.716 9.447 1.00 0.00 C ATOM 153 CD1 LEU A 13 -9.980 -12.389 10.810 1.00 0.00 C ATOM 154 CD2 LEU A 13 -8.748 -10.830 9.292 1.00 0.00 C ATOM 0 H LEU A 13 -12.364 -12.194 7.811 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.955 -11.306 6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.711 -13.553 8.634 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.037 -13.214 8.241 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.863 -11.089 9.371 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.944 -11.629 11.591 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.889 -12.980 10.920 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.111 -13.041 10.897 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.729 -10.092 10.094 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.848 -11.443 9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.787 -10.320 8.330 1.00 0.00 H new ATOM 166 N GLU A 14 -10.562 -14.472 5.977 1.00 0.00 N ATOM 167 CA GLU A 14 -10.245 -15.519 5.012 1.00 0.00 C ATOM 168 C GLU A 14 -10.445 -15.021 3.584 1.00 0.00 C ATOM 169 O GLU A 14 -9.630 -15.291 2.702 1.00 0.00 O ATOM 170 CB GLU A 14 -11.116 -16.752 5.260 1.00 0.00 C ATOM 171 CG GLU A 14 -10.527 -17.719 6.273 1.00 0.00 C ATOM 172 CD GLU A 14 -11.569 -18.648 6.867 1.00 0.00 C ATOM 173 OE1 GLU A 14 -12.573 -18.144 7.411 1.00 0.00 O ATOM 174 OE2 GLU A 14 -11.379 -19.880 6.787 1.00 0.00 O ATOM 0 H GLU A 14 -11.208 -14.757 6.713 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.197 -15.791 5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.098 -16.429 5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.267 -17.275 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.748 -18.312 5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.050 -17.154 7.074 1.00 0.00 H new ATOM 181 N GLN A 15 -11.535 -14.293 3.364 1.00 0.00 N ATOM 182 CA GLN A 15 -11.843 -13.758 2.043 1.00 0.00 C ATOM 183 C GLN A 15 -10.684 -12.920 1.511 1.00 0.00 C ATOM 184 O GLN A 15 -10.356 -12.978 0.327 1.00 0.00 O ATOM 185 CB GLN A 15 -13.117 -12.913 2.095 1.00 0.00 C ATOM 186 CG GLN A 15 -14.394 -13.737 2.077 1.00 0.00 C ATOM 187 CD GLN A 15 -14.877 -14.035 0.672 1.00 0.00 C ATOM 188 OE1 GLN A 15 -14.616 -15.109 0.128 1.00 0.00 O ATOM 189 NE2 GLN A 15 -15.585 -13.084 0.074 1.00 0.00 N ATOM 0 H GLN A 15 -12.220 -14.060 4.083 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.001 -14.598 1.367 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.101 -12.302 2.998 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.124 -12.229 1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.224 -14.675 2.605 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.174 -13.203 2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.778 -12.209 0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.936 -13.228 -0.873 1.00 0.00 H new ATOM 198 N MET A 16 -10.070 -12.141 2.395 1.00 0.00 N ATOM 199 CA MET A 16 -8.947 -11.292 2.015 1.00 0.00 C ATOM 200 C MET A 16 -7.916 -12.080 1.213 1.00 0.00 C ATOM 201 O MET A 16 -7.839 -13.305 1.316 1.00 0.00 O ATOM 202 CB MET A 16 -8.290 -10.690 3.258 1.00 0.00 C ATOM 203 CG MET A 16 -9.258 -9.922 4.145 1.00 0.00 C ATOM 204 SD MET A 16 -8.423 -8.757 5.238 1.00 0.00 S ATOM 205 CE MET A 16 -9.821 -8.028 6.088 1.00 0.00 C ATOM 0 H MET A 16 -10.331 -12.080 3.379 1.00 0.00 H new ATOM 0 HA MET A 16 -9.330 -10.486 1.389 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.832 -11.490 3.841 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.487 -10.022 2.947 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.968 -9.382 3.519 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.834 -10.628 4.744 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.466 -7.284 6.801 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.479 -7.550 5.362 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.370 -8.806 6.618 1.00 0.00 H new ATOM 215 N VAL A 17 -7.125 -11.371 0.414 1.00 0.00 N ATOM 216 CA VAL A 17 -6.099 -12.004 -0.405 1.00 0.00 C ATOM 217 C VAL A 17 -4.813 -11.185 -0.406 1.00 0.00 C ATOM 218 O VAL A 17 -4.849 -9.956 -0.470 1.00 0.00 O ATOM 219 CB VAL A 17 -6.576 -12.193 -1.857 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.915 -12.913 -1.890 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.666 -10.850 -2.566 1.00 0.00 C ATOM 0 H VAL A 17 -7.175 -10.357 0.317 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.903 -12.982 0.035 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.847 -12.809 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.236 -13.037 -2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.813 -13.892 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.657 -12.327 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.004 -11.002 -3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.374 -10.208 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.684 -10.377 -2.574 1.00 0.00 H new ATOM 231 N SER A 18 -3.679 -11.873 -0.335 1.00 0.00 N ATOM 232 CA SER A 18 -2.381 -11.209 -0.324 1.00 0.00 C ATOM 233 C SER A 18 -1.877 -10.978 -1.746 1.00 0.00 C ATOM 234 O SER A 18 -1.960 -11.864 -2.596 1.00 0.00 O ATOM 235 CB SER A 18 -1.364 -12.042 0.460 1.00 0.00 C ATOM 236 OG SER A 18 -0.738 -13.001 -0.375 1.00 0.00 O ATOM 0 H SER A 18 -3.632 -12.891 -0.284 1.00 0.00 H new ATOM 0 HA SER A 18 -2.500 -10.241 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.610 -11.386 0.895 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.863 -12.546 1.288 1.00 0.00 H new ATOM 0 HG SER A 18 -0.092 -13.519 0.149 1.00 0.00 H new ATOM 242 N GLU A 19 -1.355 -9.781 -1.995 1.00 0.00 N ATOM 243 CA GLU A 19 -0.839 -9.433 -3.313 1.00 0.00 C ATOM 244 C GLU A 19 0.518 -8.744 -3.202 1.00 0.00 C ATOM 245 O GLU A 19 0.752 -7.955 -2.286 1.00 0.00 O ATOM 246 CB GLU A 19 -1.826 -8.523 -4.048 1.00 0.00 C ATOM 247 CG GLU A 19 -2.862 -9.280 -4.862 1.00 0.00 C ATOM 248 CD GLU A 19 -4.131 -8.480 -5.081 1.00 0.00 C ATOM 249 OE1 GLU A 19 -4.180 -7.697 -6.053 1.00 0.00 O ATOM 250 OE2 GLU A 19 -5.076 -8.637 -4.280 1.00 0.00 O ATOM 0 H GLU A 19 -1.278 -9.037 -1.302 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.714 -10.355 -3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.338 -7.893 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.271 -7.859 -4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.434 -9.548 -5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.108 -10.212 -4.353 1.00 0.00 H new ATOM 257 N ASP A 20 1.408 -9.048 -4.140 1.00 0.00 N ATOM 258 CA ASP A 20 2.742 -8.459 -4.149 1.00 0.00 C ATOM 259 C ASP A 20 2.796 -7.251 -5.078 1.00 0.00 C ATOM 260 O ASP A 20 2.539 -7.364 -6.277 1.00 0.00 O ATOM 261 CB ASP A 20 3.779 -9.498 -4.580 1.00 0.00 C ATOM 262 CG ASP A 20 3.670 -10.787 -3.791 1.00 0.00 C ATOM 263 OD1 ASP A 20 4.258 -10.861 -2.692 1.00 0.00 O ATOM 264 OD2 ASP A 20 2.997 -11.723 -4.272 1.00 0.00 O ATOM 0 H ASP A 20 1.230 -9.699 -4.904 1.00 0.00 H new ATOM 0 HA ASP A 20 2.973 -8.126 -3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.654 -9.713 -5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.779 -9.082 -4.455 1.00 0.00 H new ATOM 269 N VAL A 21 3.132 -6.093 -4.517 1.00 0.00 N ATOM 270 CA VAL A 21 3.220 -4.864 -5.295 1.00 0.00 C ATOM 271 C VAL A 21 4.657 -4.361 -5.368 1.00 0.00 C ATOM 272 O VAL A 21 5.290 -4.065 -4.354 1.00 0.00 O ATOM 273 CB VAL A 21 2.330 -3.757 -4.699 1.00 0.00 C ATOM 274 CG1 VAL A 21 2.040 -2.686 -5.739 1.00 0.00 C ATOM 275 CG2 VAL A 21 1.038 -4.348 -4.155 1.00 0.00 C ATOM 0 H VAL A 21 3.348 -5.981 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 21 2.869 -5.100 -6.300 1.00 0.00 H new ATOM 0 HB VAL A 21 2.866 -3.290 -3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.410 -1.913 -5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.977 -2.243 -6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.525 -3.134 -6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.421 -3.552 -3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.496 -4.842 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.270 -5.074 -3.376 1.00 0.00 H new ATOM 285 N PRO A 22 5.188 -4.261 -6.596 1.00 0.00 N ATOM 286 CA PRO A 22 6.557 -3.793 -6.831 1.00 0.00 C ATOM 287 C PRO A 22 6.721 -2.307 -6.532 1.00 0.00 C ATOM 288 O PRO A 22 6.318 -1.456 -7.327 1.00 0.00 O ATOM 289 CB PRO A 22 6.775 -4.067 -8.321 1.00 0.00 C ATOM 290 CG PRO A 22 5.407 -4.055 -8.912 1.00 0.00 C ATOM 291 CD PRO A 22 4.492 -4.597 -7.849 1.00 0.00 C ATOM 0 HA PRO A 22 7.276 -4.294 -6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.409 -3.306 -8.775 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.266 -5.027 -8.479 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.115 -3.045 -9.200 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.365 -4.668 -9.812 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.505 -4.137 -7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.348 -5.672 -7.953 1.00 0.00 H new ATOM 299 N LEU A 23 7.315 -2.000 -5.384 1.00 0.00 N ATOM 300 CA LEU A 23 7.532 -0.615 -4.981 1.00 0.00 C ATOM 301 C LEU A 23 9.017 -0.336 -4.772 1.00 0.00 C ATOM 302 O LEU A 23 9.713 -1.097 -4.099 1.00 0.00 O ATOM 303 CB LEU A 23 6.758 -0.309 -3.698 1.00 0.00 C ATOM 304 CG LEU A 23 6.526 1.171 -3.391 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.512 1.763 -4.358 1.00 0.00 C ATOM 306 CD2 LEU A 23 6.062 1.351 -1.953 1.00 0.00 C ATOM 0 H LEU A 23 7.655 -2.692 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 23 7.168 0.032 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.789 -0.804 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.294 -0.754 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 23 7.470 1.701 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.359 2.817 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.883 1.667 -5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.566 1.230 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.902 2.410 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.129 0.808 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.822 0.964 -1.274 1.00 0.00 H new ATOM 318 N ASP A 24 9.495 0.760 -5.351 1.00 0.00 N ATOM 319 CA ASP A 24 10.897 1.142 -5.225 1.00 0.00 C ATOM 320 C ASP A 24 11.211 1.597 -3.804 1.00 0.00 C ATOM 321 O ASP A 24 10.396 2.258 -3.158 1.00 0.00 O ATOM 322 CB ASP A 24 11.235 2.255 -6.218 1.00 0.00 C ATOM 323 CG ASP A 24 12.725 2.370 -6.473 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.485 2.527 -5.495 1.00 0.00 O ATOM 325 OD2 ASP A 24 13.131 2.303 -7.652 1.00 0.00 O ATOM 0 H ASP A 24 8.932 1.400 -5.912 1.00 0.00 H new ATOM 0 HA ASP A 24 11.508 0.268 -5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.722 2.065 -7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.860 3.205 -5.836 1.00 0.00 H new ATOM 330 N HIS A 25 12.396 1.240 -3.321 1.00 0.00 N ATOM 331 CA HIS A 25 12.818 1.611 -1.975 1.00 0.00 C ATOM 332 C HIS A 25 13.072 3.113 -1.881 1.00 0.00 C ATOM 333 O HIS A 25 13.201 3.663 -0.787 1.00 0.00 O ATOM 334 CB HIS A 25 14.079 0.842 -1.582 1.00 0.00 C ATOM 335 CG HIS A 25 15.345 1.482 -2.064 1.00 0.00 C ATOM 336 ND1 HIS A 25 15.950 2.537 -1.414 1.00 0.00 N ATOM 337 CD2 HIS A 25 16.122 1.209 -3.138 1.00 0.00 C ATOM 338 CE1 HIS A 25 17.043 2.886 -2.069 1.00 0.00 C ATOM 339 NE2 HIS A 25 17.170 2.095 -3.119 1.00 0.00 N ATOM 0 H HIS A 25 13.082 0.694 -3.842 1.00 0.00 H new ATOM 0 HA HIS A 25 12.015 1.352 -1.284 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.117 0.753 -0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.017 -0.170 -1.983 1.00 0.00 H new ATOM 0 HD2 HIS A 25 15.949 0.437 -3.873 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.718 3.683 -1.793 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.924 2.136 -3.804 1.00 0.00 H new ATOM 347 N ARG A 26 13.145 3.769 -3.034 1.00 0.00 N ATOM 348 CA ARG A 26 13.387 5.206 -3.081 1.00 0.00 C ATOM 349 C ARG A 26 12.132 5.981 -2.691 1.00 0.00 C ATOM 350 O ARG A 26 12.194 7.175 -2.395 1.00 0.00 O ATOM 351 CB ARG A 26 13.842 5.623 -4.481 1.00 0.00 C ATOM 352 CG ARG A 26 15.151 4.982 -4.912 1.00 0.00 C ATOM 353 CD ARG A 26 16.349 5.796 -4.445 1.00 0.00 C ATOM 354 NE ARG A 26 17.605 5.073 -4.627 1.00 0.00 N ATOM 355 CZ ARG A 26 18.256 5.010 -5.783 1.00 0.00 C ATOM 356 NH1 ARG A 26 17.771 5.622 -6.855 1.00 0.00 N ATOM 357 NH2 ARG A 26 19.394 4.333 -5.869 1.00 0.00 N ATOM 0 H ARG A 26 13.040 3.329 -3.948 1.00 0.00 H new ATOM 0 HA ARG A 26 14.175 5.440 -2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.065 5.361 -5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.951 6.707 -4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 26 15.215 3.973 -4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.173 4.890 -5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.387 6.735 -4.998 1.00 0.00 H new ATOM 0 HD3 ARG A 26 16.226 6.051 -3.392 1.00 0.00 H new ATOM 0 HE ARG A 26 18.004 4.590 -3.822 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.896 6.143 -6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.273 5.572 -7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 26 19.770 3.860 -5.047 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.893 4.285 -6.757 1.00 0.00 H new ATOM 371 N VAL A 27 10.994 5.295 -2.693 1.00 0.00 N ATOM 372 CA VAL A 27 9.724 5.918 -2.338 1.00 0.00 C ATOM 373 C VAL A 27 9.119 5.267 -1.100 1.00 0.00 C ATOM 374 O VAL A 27 8.190 5.803 -0.495 1.00 0.00 O ATOM 375 CB VAL A 27 8.713 5.831 -3.497 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.277 6.486 -4.749 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.338 4.381 -3.767 1.00 0.00 C ATOM 0 H VAL A 27 10.925 4.307 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 27 9.934 6.967 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 27 7.810 6.370 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.549 6.415 -5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.492 7.535 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.196 5.978 -5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.623 4.337 -4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.232 3.818 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.890 3.948 -2.872 1.00 0.00 H new ATOM 387 N HIS A 28 9.652 4.108 -0.727 1.00 0.00 N ATOM 388 CA HIS A 28 9.165 3.383 0.442 1.00 0.00 C ATOM 389 C HIS A 28 8.899 4.339 1.601 1.00 0.00 C ATOM 390 O HIS A 28 7.750 4.565 1.979 1.00 0.00 O ATOM 391 CB HIS A 28 10.177 2.318 0.865 1.00 0.00 C ATOM 392 CG HIS A 28 9.992 1.005 0.169 1.00 0.00 C ATOM 393 ND1 HIS A 28 10.441 -0.191 0.687 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.400 0.705 -1.011 1.00 0.00 C ATOM 395 CE1 HIS A 28 10.135 -1.171 -0.146 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.502 -0.654 -1.183 1.00 0.00 N ATOM 0 H HIS A 28 10.421 3.651 -1.217 1.00 0.00 H new ATOM 0 HA HIS A 28 8.228 2.896 0.174 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.184 2.686 0.667 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.101 2.163 1.941 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.934 1.404 -1.690 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.364 -2.217 -0.003 1.00 0.00 H new ATOM 0 HE2 HIS A 28 9.146 -1.179 -1.982 1.00 0.00 H new ATOM 404 N ALA A 29 9.968 4.895 2.161 1.00 0.00 N ATOM 405 CA ALA A 29 9.849 5.826 3.276 1.00 0.00 C ATOM 406 C ALA A 29 8.919 6.984 2.928 1.00 0.00 C ATOM 407 O ALA A 29 8.092 7.394 3.742 1.00 0.00 O ATOM 408 CB ALA A 29 11.220 6.350 3.675 1.00 0.00 C ATOM 0 H ALA A 29 10.926 4.717 1.861 1.00 0.00 H new ATOM 0 HA ALA A 29 9.418 5.289 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.116 7.044 4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.855 5.516 3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.673 6.866 2.828 1.00 0.00 H new ATOM 414 N ARG A 30 9.062 7.507 1.714 1.00 0.00 N ATOM 415 CA ARG A 30 8.236 8.619 1.260 1.00 0.00 C ATOM 416 C ARG A 30 6.754 8.302 1.435 1.00 0.00 C ATOM 417 O ARG A 30 5.942 9.197 1.674 1.00 0.00 O ATOM 418 CB ARG A 30 8.530 8.934 -0.208 1.00 0.00 C ATOM 419 CG ARG A 30 9.826 9.701 -0.418 1.00 0.00 C ATOM 420 CD ARG A 30 9.602 11.203 -0.347 1.00 0.00 C ATOM 421 NE ARG A 30 10.859 11.940 -0.253 1.00 0.00 N ATOM 422 CZ ARG A 30 11.550 12.075 0.874 1.00 0.00 C ATOM 423 NH1 ARG A 30 11.107 11.525 1.996 1.00 0.00 N ATOM 424 NH2 ARG A 30 12.686 12.760 0.879 1.00 0.00 N ATOM 0 H ARG A 30 9.742 7.178 1.028 1.00 0.00 H new ATOM 0 HA ARG A 30 8.478 9.491 1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.575 8.001 -0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.704 9.514 -0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.552 9.404 0.339 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.251 9.441 -1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.055 11.530 -1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.980 11.436 0.517 1.00 0.00 H new ATOM 0 HE ARG A 30 11.227 12.375 -1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.234 10.997 1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.639 11.630 2.860 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.030 13.184 0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.216 12.863 1.745 1.00 0.00 H new ATOM 438 N ILE A 31 6.408 7.025 1.315 1.00 0.00 N ATOM 439 CA ILE A 31 5.024 6.591 1.462 1.00 0.00 C ATOM 440 C ILE A 31 4.711 6.231 2.910 1.00 0.00 C ATOM 441 O ILE A 31 3.621 6.512 3.408 1.00 0.00 O ATOM 442 CB ILE A 31 4.717 5.377 0.565 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.887 5.749 -0.910 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.308 4.867 0.829 1.00 0.00 C ATOM 445 CD1 ILE A 31 4.972 4.551 -1.829 1.00 0.00 C ATOM 0 H ILE A 31 7.067 6.272 1.116 1.00 0.00 H new ATOM 0 HA ILE A 31 4.397 7.428 1.155 1.00 0.00 H new ATOM 0 HB ILE A 31 5.422 4.580 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.049 6.374 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.790 6.349 -1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.105 4.009 0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.219 4.568 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.589 5.658 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.092 4.890 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.827 3.936 -1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.059 3.962 -1.745 1.00 0.00 H new ATOM 457 N ILE A 32 5.675 5.610 3.581 1.00 0.00 N ATOM 458 CA ILE A 32 5.503 5.215 4.974 1.00 0.00 C ATOM 459 C ILE A 32 5.268 6.429 5.865 1.00 0.00 C ATOM 460 O ILE A 32 4.466 6.382 6.797 1.00 0.00 O ATOM 461 CB ILE A 32 6.728 4.439 5.494 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.922 3.151 4.692 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.568 4.129 6.975 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.326 2.594 4.772 1.00 0.00 C ATOM 0 H ILE A 32 6.583 5.370 3.183 1.00 0.00 H new ATOM 0 HA ILE A 32 4.628 4.565 5.012 1.00 0.00 H new ATOM 0 HB ILE A 32 7.614 5.060 5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.221 2.399 5.053 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.675 3.342 3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.441 3.580 7.328 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.474 5.060 7.534 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.674 3.524 7.126 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.390 1.681 4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.032 3.328 4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.570 2.370 5.811 1.00 0.00 H new ATOM 476 N GLY A 33 5.973 7.518 5.571 1.00 0.00 N ATOM 477 CA GLY A 33 5.825 8.731 6.354 1.00 0.00 C ATOM 478 C GLY A 33 6.774 8.778 7.535 1.00 0.00 C ATOM 479 O GLY A 33 7.843 8.169 7.505 1.00 0.00 O ATOM 0 H GLY A 33 6.643 7.581 4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.002 9.596 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.799 8.805 6.713 1.00 0.00 H new ATOM 483 N ALA A 34 6.384 9.503 8.577 1.00 0.00 N ATOM 484 CA ALA A 34 7.207 9.627 9.774 1.00 0.00 C ATOM 485 C ALA A 34 6.856 8.550 10.795 1.00 0.00 C ATOM 486 O ALA A 34 7.612 7.599 10.992 1.00 0.00 O ATOM 487 CB ALA A 34 7.045 11.010 10.385 1.00 0.00 C ATOM 0 H ALA A 34 5.502 10.014 8.617 1.00 0.00 H new ATOM 0 HA ALA A 34 8.249 9.490 9.485 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.665 11.088 11.278 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.353 11.765 9.662 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.001 11.169 10.654 1.00 0.00 H new ATOM 493 N ARG A 35 5.706 8.707 11.442 1.00 0.00 N ATOM 494 CA ARG A 35 5.257 7.749 12.445 1.00 0.00 C ATOM 495 C ARG A 35 4.381 6.671 11.813 1.00 0.00 C ATOM 496 O ARG A 35 3.678 5.941 12.510 1.00 0.00 O ATOM 497 CB ARG A 35 4.483 8.465 13.554 1.00 0.00 C ATOM 498 CG ARG A 35 4.350 7.648 14.829 1.00 0.00 C ATOM 499 CD ARG A 35 3.841 8.496 15.984 1.00 0.00 C ATOM 500 NE ARG A 35 4.243 7.955 17.279 1.00 0.00 N ATOM 501 CZ ARG A 35 4.264 8.669 18.399 1.00 0.00 C ATOM 502 NH1 ARG A 35 3.909 9.946 18.382 1.00 0.00 N ATOM 503 NH2 ARG A 35 4.642 8.105 19.540 1.00 0.00 N ATOM 0 H ARG A 35 5.068 9.488 11.290 1.00 0.00 H new ATOM 0 HA ARG A 35 6.137 7.272 12.875 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.983 9.405 13.786 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.487 8.715 13.187 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.667 6.815 14.659 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.317 7.219 15.090 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.221 9.513 15.882 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.754 8.556 15.938 1.00 0.00 H new ATOM 0 HE ARG A 35 4.523 6.975 17.326 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.619 10.383 17.507 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.926 10.492 19.244 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.917 7.123 19.557 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.658 8.654 20.400 1.00 0.00 H new ATOM 517 N GLY A 36 4.428 6.579 10.488 1.00 0.00 N ATOM 518 CA GLY A 36 3.635 5.589 9.784 1.00 0.00 C ATOM 519 C GLY A 36 2.197 6.030 9.589 1.00 0.00 C ATOM 520 O GLY A 36 1.279 5.209 9.614 1.00 0.00 O ATOM 0 H GLY A 36 5.002 7.173 9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.086 5.391 8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.652 4.652 10.340 1.00 0.00 H new ATOM 524 N LYS A 37 2.000 7.329 9.396 1.00 0.00 N ATOM 525 CA LYS A 37 0.664 7.879 9.197 1.00 0.00 C ATOM 526 C LYS A 37 0.327 7.964 7.712 1.00 0.00 C ATOM 527 O LYS A 37 -0.734 7.514 7.280 1.00 0.00 O ATOM 528 CB LYS A 37 0.561 9.267 9.834 1.00 0.00 C ATOM 529 CG LYS A 37 -0.731 9.994 9.504 1.00 0.00 C ATOM 530 CD LYS A 37 -0.542 11.501 9.517 1.00 0.00 C ATOM 531 CE LYS A 37 -0.486 12.043 10.937 1.00 0.00 C ATOM 532 NZ LYS A 37 0.854 11.844 11.555 1.00 0.00 N ATOM 0 H LYS A 37 2.749 8.021 9.373 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.052 7.212 9.677 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.646 9.168 10.916 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.404 9.873 9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.086 9.679 8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.500 9.717 10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.378 11.758 8.992 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.361 11.976 8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.728 13.106 10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.243 11.548 11.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.073 12.649 12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.852 10.967 12.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.574 11.777 10.808 1.00 0.00 H new ATOM 546 N ALA A 38 1.237 8.542 6.935 1.00 0.00 N ATOM 547 CA ALA A 38 1.037 8.682 5.498 1.00 0.00 C ATOM 548 C ALA A 38 0.562 7.371 4.880 1.00 0.00 C ATOM 549 O ALA A 38 -0.149 7.371 3.874 1.00 0.00 O ATOM 550 CB ALA A 38 2.322 9.148 4.829 1.00 0.00 C ATOM 0 H ALA A 38 2.120 8.921 7.277 1.00 0.00 H new ATOM 0 HA ALA A 38 0.263 9.432 5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.158 9.248 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.619 10.112 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.111 8.418 5.009 1.00 0.00 H new ATOM 556 N ILE A 39 0.959 6.258 5.487 1.00 0.00 N ATOM 557 CA ILE A 39 0.573 4.941 4.995 1.00 0.00 C ATOM 558 C ILE A 39 -0.691 4.445 5.688 1.00 0.00 C ATOM 559 O ILE A 39 -1.394 3.576 5.172 1.00 0.00 O ATOM 560 CB ILE A 39 1.698 3.910 5.204 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.376 2.614 4.458 1.00 0.00 C ATOM 562 CG2 ILE A 39 1.899 3.639 6.687 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.274 2.788 2.959 1.00 0.00 C ATOM 0 H ILE A 39 1.547 6.242 6.320 1.00 0.00 H new ATOM 0 HA ILE A 39 0.382 5.046 3.927 1.00 0.00 H new ATOM 0 HB ILE A 39 2.625 4.318 4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.148 1.876 4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.435 2.212 4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.697 2.908 6.818 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.169 4.566 7.193 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.975 3.248 7.114 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.044 1.828 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.483 3.501 2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.222 3.160 2.571 1.00 0.00 H new ATOM 575 N ARG A 40 -0.976 5.004 6.860 1.00 0.00 N ATOM 576 CA ARG A 40 -2.156 4.619 7.624 1.00 0.00 C ATOM 577 C ARG A 40 -3.433 5.013 6.887 1.00 0.00 C ATOM 578 O ARG A 40 -4.355 4.209 6.747 1.00 0.00 O ATOM 579 CB ARG A 40 -2.130 5.272 9.007 1.00 0.00 C ATOM 580 CG ARG A 40 -3.283 4.849 9.902 1.00 0.00 C ATOM 581 CD ARG A 40 -3.299 3.343 10.116 1.00 0.00 C ATOM 582 NE ARG A 40 -4.106 2.963 11.273 1.00 0.00 N ATOM 583 CZ ARG A 40 -4.004 1.789 11.885 1.00 0.00 C ATOM 584 NH1 ARG A 40 -3.135 0.885 11.455 1.00 0.00 N ATOM 585 NH2 ARG A 40 -4.774 1.517 12.932 1.00 0.00 N ATOM 0 H ARG A 40 -0.405 5.725 7.301 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.144 3.535 7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.189 5.024 9.499 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.152 6.355 8.888 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.202 5.354 10.865 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.226 5.164 9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.691 2.854 9.224 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.278 2.985 10.253 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.784 3.636 11.630 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.542 1.090 10.651 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.060 -0.016 11.928 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.444 2.210 13.266 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.696 0.615 13.402 1.00 0.00 H new ATOM 599 N LYS A 41 -3.480 6.255 6.419 1.00 0.00 N ATOM 600 CA LYS A 41 -4.643 6.757 5.696 1.00 0.00 C ATOM 601 C LYS A 41 -4.919 5.913 4.456 1.00 0.00 C ATOM 602 O LYS A 41 -6.074 5.668 4.105 1.00 0.00 O ATOM 603 CB LYS A 41 -4.427 8.218 5.293 1.00 0.00 C ATOM 604 CG LYS A 41 -3.425 8.396 4.166 1.00 0.00 C ATOM 605 CD LYS A 41 -3.307 9.853 3.751 1.00 0.00 C ATOM 606 CE LYS A 41 -4.297 10.200 2.649 1.00 0.00 C ATOM 607 NZ LYS A 41 -3.905 9.602 1.343 1.00 0.00 N ATOM 0 H LYS A 41 -2.726 6.933 6.527 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.507 6.692 6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.382 8.648 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.086 8.780 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.450 8.027 4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.730 7.796 3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.483 10.494 4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.292 10.053 3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.289 9.845 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.362 11.283 2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.418 10.079 0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.881 9.719 1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.141 8.589 1.340 1.00 0.00 H new ATOM 621 N ILE A 42 -3.853 5.469 3.799 1.00 0.00 N ATOM 622 CA ILE A 42 -3.981 4.650 2.600 1.00 0.00 C ATOM 623 C ILE A 42 -4.626 3.305 2.920 1.00 0.00 C ATOM 624 O ILE A 42 -5.511 2.843 2.200 1.00 0.00 O ATOM 625 CB ILE A 42 -2.614 4.406 1.935 1.00 0.00 C ATOM 626 CG1 ILE A 42 -2.057 5.713 1.370 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.737 3.358 0.839 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.650 5.587 0.828 1.00 0.00 C ATOM 0 H ILE A 42 -2.891 5.663 4.077 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.618 5.201 1.908 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.921 4.034 2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.714 6.064 0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.070 6.472 2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.762 3.197 0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.094 2.422 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.443 3.703 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.320 6.552 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.020 5.266 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.635 4.852 0.023 1.00 0.00 H new ATOM 640 N MET A 43 -4.176 2.683 4.004 1.00 0.00 N ATOM 641 CA MET A 43 -4.711 1.392 4.421 1.00 0.00 C ATOM 642 C MET A 43 -6.200 1.497 4.739 1.00 0.00 C ATOM 643 O MET A 43 -7.017 0.767 4.178 1.00 0.00 O ATOM 644 CB MET A 43 -3.953 0.872 5.644 1.00 0.00 C ATOM 645 CG MET A 43 -2.604 0.258 5.306 1.00 0.00 C ATOM 646 SD MET A 43 -1.847 -0.573 6.716 1.00 0.00 S ATOM 647 CE MET A 43 -0.362 0.405 6.928 1.00 0.00 C ATOM 0 H MET A 43 -3.443 3.051 4.610 1.00 0.00 H new ATOM 0 HA MET A 43 -4.582 0.691 3.597 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.804 1.693 6.345 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.566 0.127 6.151 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.728 -0.456 4.492 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.934 1.039 4.946 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.142 0.106 7.847 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.304 0.244 6.080 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.627 1.461 6.986 1.00 0.00 H new ATOM 657 N ASP A 44 -6.544 2.409 5.642 1.00 0.00 N ATOM 658 CA ASP A 44 -7.934 2.610 6.033 1.00 0.00 C ATOM 659 C ASP A 44 -8.784 3.013 4.832 1.00 0.00 C ATOM 660 O ASP A 44 -9.946 2.622 4.723 1.00 0.00 O ATOM 661 CB ASP A 44 -8.030 3.679 7.123 1.00 0.00 C ATOM 662 CG ASP A 44 -7.774 3.118 8.508 1.00 0.00 C ATOM 663 OD1 ASP A 44 -6.983 2.160 8.622 1.00 0.00 O ATOM 664 OD2 ASP A 44 -8.367 3.638 9.477 1.00 0.00 O ATOM 0 H ASP A 44 -5.880 3.020 6.117 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.315 1.667 6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.310 4.471 6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.020 4.134 7.096 1.00 0.00 H new ATOM 669 N GLU A 45 -8.197 3.798 3.934 1.00 0.00 N ATOM 670 CA GLU A 45 -8.902 4.255 2.742 1.00 0.00 C ATOM 671 C GLU A 45 -9.545 3.083 2.008 1.00 0.00 C ATOM 672 O GLU A 45 -10.742 3.097 1.719 1.00 0.00 O ATOM 673 CB GLU A 45 -7.942 4.993 1.807 1.00 0.00 C ATOM 674 CG GLU A 45 -8.618 5.574 0.576 1.00 0.00 C ATOM 675 CD GLU A 45 -9.356 6.866 0.871 1.00 0.00 C ATOM 676 OE1 GLU A 45 -10.449 6.802 1.471 1.00 0.00 O ATOM 677 OE2 GLU A 45 -8.839 7.941 0.501 1.00 0.00 O ATOM 0 H GLU A 45 -7.236 4.131 4.009 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.690 4.940 3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.457 5.798 2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.157 4.306 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.868 5.756 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.319 4.844 0.172 1.00 0.00 H new ATOM 684 N PHE A 46 -8.741 2.068 1.707 1.00 0.00 N ATOM 685 CA PHE A 46 -9.230 0.887 1.005 1.00 0.00 C ATOM 686 C PHE A 46 -9.418 -0.281 1.968 1.00 0.00 C ATOM 687 O PHE A 46 -9.609 -1.423 1.549 1.00 0.00 O ATOM 688 CB PHE A 46 -8.260 0.492 -0.110 1.00 0.00 C ATOM 689 CG PHE A 46 -7.945 1.615 -1.057 1.00 0.00 C ATOM 690 CD1 PHE A 46 -6.886 2.473 -0.807 1.00 0.00 C ATOM 691 CD2 PHE A 46 -8.709 1.814 -2.196 1.00 0.00 C ATOM 692 CE1 PHE A 46 -6.594 3.507 -1.677 1.00 0.00 C ATOM 693 CE2 PHE A 46 -8.421 2.846 -3.068 1.00 0.00 C ATOM 694 CZ PHE A 46 -7.363 3.695 -2.808 1.00 0.00 C ATOM 0 H PHE A 46 -7.748 2.040 1.938 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.197 1.132 0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.333 0.133 0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.685 -0.339 -0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.282 2.332 0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.539 1.155 -2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.765 4.168 -1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.023 2.989 -3.953 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.138 4.504 -3.488 1.00 0.00 H new ATOM 704 N LYS A 47 -9.360 0.013 3.263 1.00 0.00 N ATOM 705 CA LYS A 47 -9.524 -1.010 4.289 1.00 0.00 C ATOM 706 C LYS A 47 -8.614 -2.204 4.016 1.00 0.00 C ATOM 707 O LYS A 47 -9.057 -3.352 4.034 1.00 0.00 O ATOM 708 CB LYS A 47 -10.982 -1.471 4.350 1.00 0.00 C ATOM 709 CG LYS A 47 -11.980 -0.327 4.407 1.00 0.00 C ATOM 710 CD LYS A 47 -11.957 0.367 5.758 1.00 0.00 C ATOM 711 CE LYS A 47 -13.211 1.198 5.980 1.00 0.00 C ATOM 712 NZ LYS A 47 -13.094 2.552 5.372 1.00 0.00 N ATOM 0 H LYS A 47 -9.200 0.952 3.627 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.246 -0.575 5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.197 -2.086 3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.118 -2.104 5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.753 0.395 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.982 -0.707 4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.868 -0.378 6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.078 1.008 5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.070 0.681 5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.398 1.295 7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.407 3.269 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.103 2.731 5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.690 2.603 4.521 1.00 0.00 H new ATOM 726 N VAL A 48 -7.338 -1.925 3.766 1.00 0.00 N ATOM 727 CA VAL A 48 -6.365 -2.975 3.493 1.00 0.00 C ATOM 728 C VAL A 48 -5.192 -2.904 4.464 1.00 0.00 C ATOM 729 O VAL A 48 -5.121 -2.006 5.303 1.00 0.00 O ATOM 730 CB VAL A 48 -5.830 -2.884 2.051 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.939 -3.173 1.051 1.00 0.00 C ATOM 732 CG2 VAL A 48 -5.215 -1.516 1.798 1.00 0.00 C ATOM 0 H VAL A 48 -6.955 -0.980 3.747 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.882 -3.926 3.621 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.052 -3.637 1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.543 -3.104 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.329 -4.177 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.741 -2.446 1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.842 -1.468 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.971 -0.744 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.391 -1.353 2.493 1.00 0.00 H new ATOM 742 N ASP A 49 -4.274 -3.857 4.345 1.00 0.00 N ATOM 743 CA ASP A 49 -3.102 -3.902 5.212 1.00 0.00 C ATOM 744 C ASP A 49 -1.828 -4.085 4.393 1.00 0.00 C ATOM 745 O ASP A 49 -1.505 -5.195 3.970 1.00 0.00 O ATOM 746 CB ASP A 49 -3.237 -5.036 6.229 1.00 0.00 C ATOM 747 CG ASP A 49 -2.202 -4.949 7.333 1.00 0.00 C ATOM 748 OD1 ASP A 49 -1.025 -5.271 7.069 1.00 0.00 O ATOM 749 OD2 ASP A 49 -2.570 -4.561 8.462 1.00 0.00 O ATOM 0 H ASP A 49 -4.319 -4.609 3.657 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.037 -2.953 5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.235 -5.010 6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.138 -5.993 5.717 1.00 0.00 H new ATOM 754 N ILE A 50 -1.109 -2.989 4.174 1.00 0.00 N ATOM 755 CA ILE A 50 0.130 -3.030 3.407 1.00 0.00 C ATOM 756 C ILE A 50 1.304 -3.459 4.280 1.00 0.00 C ATOM 757 O ILE A 50 1.432 -3.023 5.424 1.00 0.00 O ATOM 758 CB ILE A 50 0.447 -1.661 2.777 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.768 -1.134 2.010 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.655 -1.767 1.858 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.810 0.374 1.906 1.00 0.00 C ATOM 0 H ILE A 50 -1.363 -2.062 4.517 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.015 -3.762 2.613 1.00 0.00 H new ATOM 0 HB ILE A 50 0.683 -0.957 3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.766 -1.559 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.677 -1.482 2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.866 -0.791 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.520 -2.103 2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.446 -2.483 1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.698 0.676 1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.844 0.807 2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.081 0.728 1.387 1.00 0.00 H new ATOM 773 N ARG A 51 2.160 -4.315 3.732 1.00 0.00 N ATOM 774 CA ARG A 51 3.324 -4.803 4.461 1.00 0.00 C ATOM 775 C ARG A 51 4.609 -4.515 3.689 1.00 0.00 C ATOM 776 O ARG A 51 4.781 -4.970 2.558 1.00 0.00 O ATOM 777 CB ARG A 51 3.198 -6.306 4.720 1.00 0.00 C ATOM 778 CG ARG A 51 3.903 -6.767 5.985 1.00 0.00 C ATOM 779 CD ARG A 51 5.415 -6.703 5.835 1.00 0.00 C ATOM 780 NE ARG A 51 5.930 -7.797 5.016 1.00 0.00 N ATOM 781 CZ ARG A 51 5.953 -9.065 5.413 1.00 0.00 C ATOM 782 NH1 ARG A 51 5.491 -9.396 6.611 1.00 0.00 N ATOM 783 NH2 ARG A 51 6.438 -10.004 4.611 1.00 0.00 N ATOM 0 H ARG A 51 2.069 -4.685 2.786 1.00 0.00 H new ATOM 0 HA ARG A 51 3.369 -4.279 5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.142 -6.567 4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.607 -6.849 3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.593 -6.144 6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.602 -7.788 6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.695 -5.750 5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.879 -6.738 6.821 1.00 0.00 H new ATOM 0 HE ARG A 51 6.292 -7.576 4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.117 -8.677 7.230 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.510 -10.370 6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.794 -9.753 3.689 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.455 -10.977 4.917 1.00 0.00 H new ATOM 797 N PHE A 52 5.508 -3.757 4.307 1.00 0.00 N ATOM 798 CA PHE A 52 6.776 -3.407 3.678 1.00 0.00 C ATOM 799 C PHE A 52 7.852 -4.435 4.014 1.00 0.00 C ATOM 800 O PHE A 52 7.843 -5.056 5.078 1.00 0.00 O ATOM 801 CB PHE A 52 7.226 -2.015 4.128 1.00 0.00 C ATOM 802 CG PHE A 52 6.489 -0.898 3.447 1.00 0.00 C ATOM 803 CD1 PHE A 52 6.881 -0.455 2.194 1.00 0.00 C ATOM 804 CD2 PHE A 52 5.405 -0.290 4.059 1.00 0.00 C ATOM 805 CE1 PHE A 52 6.205 0.573 1.564 1.00 0.00 C ATOM 806 CE2 PHE A 52 4.725 0.738 3.434 1.00 0.00 C ATOM 807 CZ PHE A 52 5.126 1.171 2.185 1.00 0.00 C ATOM 0 H PHE A 52 5.382 -3.373 5.244 1.00 0.00 H new ATOM 0 HA PHE A 52 6.628 -3.402 2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.087 -1.928 5.206 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.293 -1.907 3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.725 -0.918 1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.088 -0.623 5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.520 0.908 0.587 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.881 1.203 3.922 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.597 1.975 1.695 1.00 0.00 H new ATOM 817 N PRO A 53 8.802 -4.622 3.086 1.00 0.00 N ATOM 818 CA PRO A 53 9.903 -5.574 3.260 1.00 0.00 C ATOM 819 C PRO A 53 10.895 -5.124 4.327 1.00 0.00 C ATOM 820 O PRO A 53 11.412 -4.008 4.274 1.00 0.00 O ATOM 821 CB PRO A 53 10.572 -5.598 1.884 1.00 0.00 C ATOM 822 CG PRO A 53 10.240 -4.279 1.278 1.00 0.00 C ATOM 823 CD PRO A 53 8.875 -3.917 1.795 1.00 0.00 C ATOM 0 HA PRO A 53 9.549 -6.549 3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.650 -5.734 1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.195 -6.420 1.275 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.976 -3.525 1.558 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.242 -4.338 0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.765 -2.840 1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.088 -4.242 1.114 1.00 0.00 H new ATOM 831 N GLN A 54 11.157 -5.999 5.293 1.00 0.00 N ATOM 832 CA GLN A 54 12.087 -5.689 6.372 1.00 0.00 C ATOM 833 C GLN A 54 13.526 -5.685 5.865 1.00 0.00 C ATOM 834 O GLN A 54 13.803 -6.125 4.749 1.00 0.00 O ATOM 835 CB GLN A 54 11.937 -6.702 7.509 1.00 0.00 C ATOM 836 CG GLN A 54 12.257 -8.130 7.098 1.00 0.00 C ATOM 837 CD GLN A 54 11.958 -9.133 8.195 1.00 0.00 C ATOM 838 OE1 GLN A 54 10.798 -9.420 8.491 1.00 0.00 O ATOM 839 NE2 GLN A 54 13.007 -9.673 8.804 1.00 0.00 N ATOM 0 H GLN A 54 10.739 -6.927 5.350 1.00 0.00 H new ATOM 0 HA GLN A 54 11.850 -4.694 6.748 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.593 -6.414 8.330 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.916 -6.662 7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.680 -8.386 6.209 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.310 -8.198 6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.951 -9.406 8.526 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.869 -10.355 9.550 1.00 0.00 H new ATOM 848 N SER A 55 14.438 -5.185 6.692 1.00 0.00 N ATOM 849 CA SER A 55 15.848 -5.120 6.326 1.00 0.00 C ATOM 850 C SER A 55 16.340 -6.471 5.815 1.00 0.00 C ATOM 851 O SER A 55 16.937 -6.562 4.743 1.00 0.00 O ATOM 852 CB SER A 55 16.689 -4.680 7.527 1.00 0.00 C ATOM 853 OG SER A 55 16.355 -3.362 7.927 1.00 0.00 O ATOM 0 H SER A 55 14.226 -4.819 7.620 1.00 0.00 H new ATOM 0 HA SER A 55 15.957 -4.387 5.527 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.530 -5.367 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.747 -4.729 7.271 1.00 0.00 H new ATOM 0 HG SER A 55 16.904 -3.105 8.697 1.00 0.00 H new ATOM 859 N GLY A 56 16.083 -7.520 6.591 1.00 0.00 N ATOM 860 CA GLY A 56 16.506 -8.852 6.201 1.00 0.00 C ATOM 861 C GLY A 56 15.598 -9.465 5.153 1.00 0.00 C ATOM 862 O GLY A 56 15.755 -10.630 4.791 1.00 0.00 O ATOM 0 H GLY A 56 15.590 -7.471 7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.524 -8.808 5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.527 -9.495 7.081 1.00 0.00 H new ATOM 866 N ALA A 57 14.643 -8.678 4.666 1.00 0.00 N ATOM 867 CA ALA A 57 13.707 -9.150 3.653 1.00 0.00 C ATOM 868 C ALA A 57 14.424 -9.457 2.343 1.00 0.00 C ATOM 869 O ALA A 57 15.408 -8.813 1.980 1.00 0.00 O ATOM 870 CB ALA A 57 12.610 -8.121 3.429 1.00 0.00 C ATOM 0 H ALA A 57 14.498 -7.711 4.957 1.00 0.00 H new ATOM 0 HA ALA A 57 13.255 -10.074 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.918 -8.486 2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.071 -7.955 4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.054 -7.183 3.094 1.00 0.00 H new ATOM 876 N PRO A 58 13.921 -10.465 1.614 1.00 0.00 N ATOM 877 CA PRO A 58 14.499 -10.880 0.333 1.00 0.00 C ATOM 878 C PRO A 58 14.277 -9.846 -0.765 1.00 0.00 C ATOM 879 O PRO A 58 15.182 -9.551 -1.546 1.00 0.00 O ATOM 880 CB PRO A 58 13.749 -12.174 0.008 1.00 0.00 C ATOM 881 CG PRO A 58 12.453 -12.053 0.732 1.00 0.00 C ATOM 882 CD PRO A 58 12.750 -11.277 1.986 1.00 0.00 C ATOM 0 HA PRO A 58 15.580 -11.002 0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.594 -12.283 -1.065 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.308 -13.049 0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.711 -11.538 0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.045 -13.036 0.969 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.906 -10.654 2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.969 -11.937 2.825 1.00 0.00 H new ATOM 890 N ASP A 59 13.068 -9.298 -0.820 1.00 0.00 N ATOM 891 CA ASP A 59 12.727 -8.294 -1.822 1.00 0.00 C ATOM 892 C ASP A 59 12.415 -6.954 -1.164 1.00 0.00 C ATOM 893 O ASP A 59 11.270 -6.653 -0.826 1.00 0.00 O ATOM 894 CB ASP A 59 11.531 -8.759 -2.654 1.00 0.00 C ATOM 895 CG ASP A 59 11.830 -10.019 -3.443 1.00 0.00 C ATOM 896 OD1 ASP A 59 11.900 -11.103 -2.826 1.00 0.00 O ATOM 897 OD2 ASP A 59 11.992 -9.921 -4.677 1.00 0.00 O ATOM 0 H ASP A 59 12.307 -9.532 -0.182 1.00 0.00 H new ATOM 0 HA ASP A 59 13.587 -8.164 -2.478 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.682 -8.939 -1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.239 -7.964 -3.341 1.00 0.00 H new ATOM 902 N PRO A 60 13.456 -6.129 -0.977 1.00 0.00 N ATOM 903 CA PRO A 60 13.317 -4.808 -0.358 1.00 0.00 C ATOM 904 C PRO A 60 12.573 -3.823 -1.253 1.00 0.00 C ATOM 905 O PRO A 60 12.368 -2.667 -0.884 1.00 0.00 O ATOM 906 CB PRO A 60 14.766 -4.357 -0.156 1.00 0.00 C ATOM 907 CG PRO A 60 15.541 -5.099 -1.189 1.00 0.00 C ATOM 908 CD PRO A 60 14.848 -6.423 -1.355 1.00 0.00 C ATOM 0 HA PRO A 60 12.736 -4.849 0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.867 -3.279 -0.284 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.118 -4.593 0.848 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.563 -4.549 -2.130 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.576 -5.237 -0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.918 -6.787 -2.380 1.00 0.00 H new ATOM 0 HD3 PRO A 60 15.285 -7.189 -0.714 1.00 0.00 H new ATOM 916 N ASN A 61 12.170 -4.289 -2.431 1.00 0.00 N ATOM 917 CA ASN A 61 11.448 -3.449 -3.379 1.00 0.00 C ATOM 918 C ASN A 61 10.050 -4.001 -3.639 1.00 0.00 C ATOM 919 O ASN A 61 9.371 -3.582 -4.578 1.00 0.00 O ATOM 920 CB ASN A 61 12.222 -3.348 -4.695 1.00 0.00 C ATOM 921 CG ASN A 61 12.997 -4.613 -5.008 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.412 -5.659 -5.291 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.321 -4.523 -4.960 1.00 0.00 N ATOM 0 H ASN A 61 12.331 -5.244 -2.751 1.00 0.00 H new ATOM 0 HA ASN A 61 11.351 -2.454 -2.945 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.526 -3.141 -5.508 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.912 -2.506 -4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.895 -5.341 -5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.764 -3.636 -4.721 1.00 0.00 H new ATOM 930 N CYS A 62 9.625 -4.941 -2.803 1.00 0.00 N ATOM 931 CA CYS A 62 8.307 -5.550 -2.942 1.00 0.00 C ATOM 932 C CYS A 62 7.538 -5.489 -1.627 1.00 0.00 C ATOM 933 O CYS A 62 8.100 -5.717 -0.555 1.00 0.00 O ATOM 934 CB CYS A 62 8.441 -7.003 -3.402 1.00 0.00 C ATOM 935 SG CYS A 62 6.958 -7.664 -4.198 1.00 0.00 S ATOM 0 H CYS A 62 10.174 -5.298 -2.021 1.00 0.00 H new ATOM 0 HA CYS A 62 7.751 -4.988 -3.692 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.277 -7.077 -4.097 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.686 -7.625 -2.541 1.00 0.00 H new ATOM 0 HG CYS A 62 6.759 -8.885 -3.800 1.00 0.00 H new ATOM 941 N VAL A 63 6.248 -5.178 -1.715 1.00 0.00 N ATOM 942 CA VAL A 63 5.401 -5.085 -0.532 1.00 0.00 C ATOM 943 C VAL A 63 4.233 -6.061 -0.616 1.00 0.00 C ATOM 944 O VAL A 63 3.783 -6.417 -1.705 1.00 0.00 O ATOM 945 CB VAL A 63 4.852 -3.658 -0.345 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.990 -2.651 -0.291 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.876 -3.313 -1.460 1.00 0.00 C ATOM 0 H VAL A 63 5.767 -4.986 -2.594 1.00 0.00 H new ATOM 0 HA VAL A 63 6.024 -5.341 0.325 1.00 0.00 H new ATOM 0 HB VAL A 63 4.316 -3.615 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.583 -1.649 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.647 -2.889 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.557 -2.692 -1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.498 -2.301 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.386 -3.373 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.044 -4.017 -1.446 1.00 0.00 H new ATOM 957 N THR A 64 3.744 -6.491 0.544 1.00 0.00 N ATOM 958 CA THR A 64 2.628 -7.426 0.603 1.00 0.00 C ATOM 959 C THR A 64 1.367 -6.745 1.120 1.00 0.00 C ATOM 960 O THR A 64 1.262 -6.426 2.305 1.00 0.00 O ATOM 961 CB THR A 64 2.953 -8.633 1.504 1.00 0.00 C ATOM 962 OG1 THR A 64 4.115 -9.312 1.014 1.00 0.00 O ATOM 963 CG2 THR A 64 1.780 -9.599 1.559 1.00 0.00 C ATOM 0 H THR A 64 4.104 -6.206 1.455 1.00 0.00 H new ATOM 0 HA THR A 64 2.456 -7.778 -0.414 1.00 0.00 H new ATOM 0 HB THR A 64 3.146 -8.264 2.511 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.316 -10.077 1.593 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.033 -10.443 2.201 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.906 -9.087 1.961 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.559 -9.961 0.555 1.00 0.00 H new ATOM 971 N VAL A 65 0.409 -6.525 0.225 1.00 0.00 N ATOM 972 CA VAL A 65 -0.848 -5.882 0.593 1.00 0.00 C ATOM 973 C VAL A 65 -1.947 -6.914 0.819 1.00 0.00 C ATOM 974 O VAL A 65 -2.237 -7.731 -0.055 1.00 0.00 O ATOM 975 CB VAL A 65 -1.307 -4.888 -0.490 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.684 -4.335 -0.157 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.295 -3.764 -0.645 1.00 0.00 C ATOM 0 H VAL A 65 0.479 -6.782 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.667 -5.339 1.521 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.374 -5.418 -1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.992 -3.634 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.401 -5.154 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.647 -3.820 0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.636 -3.071 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.193 -3.233 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.670 -4.181 -0.933 1.00 0.00 H new ATOM 987 N THR A 66 -2.556 -6.872 2.000 1.00 0.00 N ATOM 988 CA THR A 66 -3.624 -7.804 2.343 1.00 0.00 C ATOM 989 C THR A 66 -4.994 -7.160 2.163 1.00 0.00 C ATOM 990 O THR A 66 -5.121 -5.937 2.165 1.00 0.00 O ATOM 991 CB THR A 66 -3.490 -8.302 3.794 1.00 0.00 C ATOM 992 OG1 THR A 66 -2.114 -8.554 4.100 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.302 -9.570 4.008 1.00 0.00 C ATOM 0 H THR A 66 -2.328 -6.203 2.735 1.00 0.00 H new ATOM 0 HA THR A 66 -3.533 -8.653 1.666 1.00 0.00 H new ATOM 0 HB THR A 66 -3.874 -7.527 4.458 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.037 -8.869 5.025 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.192 -9.903 5.040 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.353 -9.368 3.802 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.944 -10.349 3.335 1.00 0.00 H new ATOM 1001 N GLY A 67 -6.018 -7.994 2.007 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.366 -7.487 1.829 1.00 0.00 C ATOM 1003 C GLY A 67 -8.033 -8.039 0.584 1.00 0.00 C ATOM 1004 O GLY A 67 -7.372 -8.617 -0.279 1.00 0.00 O ATOM 0 H GLY A 67 -5.938 -9.011 2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.966 -7.743 2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.337 -6.399 1.770 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.346 -7.862 0.491 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.104 -8.348 -0.657 1.00 0.00 C ATOM 1010 C LEU A 68 -9.360 -8.068 -1.959 1.00 0.00 C ATOM 1011 O LEU A 68 -8.566 -7.132 -2.060 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.486 -7.693 -0.695 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.490 -8.183 0.350 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.604 -9.699 0.311 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -12.086 -7.713 1.739 1.00 0.00 C ATOM 0 H LEU A 68 -9.908 -7.386 1.196 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.223 -9.426 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.360 -6.617 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.915 -7.853 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.466 -7.759 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.323 -10.029 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.941 -10.013 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.631 -10.143 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.812 -8.071 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.100 -8.107 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.057 -6.624 1.760 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.623 -8.895 -2.981 1.00 0.00 N ATOM 1028 CA PRO A 69 -8.991 -8.755 -4.296 1.00 0.00 C ATOM 1029 C PRO A 69 -9.478 -7.518 -5.044 1.00 0.00 C ATOM 1030 O PRO A 69 -8.785 -6.998 -5.918 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.418 -10.027 -5.032 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.689 -10.438 -4.374 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.559 -10.031 -2.932 1.00 0.00 C ATOM 0 HA PRO A 69 -7.911 -8.634 -4.218 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.566 -9.838 -6.095 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.660 -10.806 -4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.545 -9.952 -4.841 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.845 -11.513 -4.464 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.520 -9.741 -2.508 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.172 -10.844 -2.318 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.673 -7.052 -4.694 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.251 -5.876 -5.334 1.00 0.00 C ATOM 1043 C GLU A 70 -10.767 -4.596 -4.659 1.00 0.00 C ATOM 1044 O GLU A 70 -10.662 -3.548 -5.294 1.00 0.00 O ATOM 1045 CB GLU A 70 -12.779 -5.943 -5.289 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.369 -5.488 -3.966 1.00 0.00 C ATOM 1047 CD GLU A 70 -13.664 -4.000 -3.939 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -14.757 -3.603 -4.394 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -12.800 -3.234 -3.464 1.00 0.00 O ATOM 0 H GLU A 70 -11.259 -7.470 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.925 -5.863 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.185 -5.325 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.095 -6.968 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.289 -6.040 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.676 -5.732 -3.161 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.474 -4.691 -3.366 1.00 0.00 N ATOM 1057 CA ASN A 71 -10.002 -3.541 -2.603 1.00 0.00 C ATOM 1058 C ASN A 71 -8.503 -3.337 -2.797 1.00 0.00 C ATOM 1059 O ASN A 71 -8.025 -2.206 -2.885 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.315 -3.726 -1.117 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.721 -3.283 -0.762 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.231 -2.304 -1.306 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.355 -4.005 0.155 1.00 0.00 N ATOM 0 H ASN A 71 -10.555 -5.552 -2.825 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.521 -2.655 -2.970 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.190 -4.775 -0.850 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.598 -3.158 -0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.304 -3.755 0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.893 -4.809 0.580 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.765 -4.441 -2.865 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.320 -4.385 -3.051 1.00 0.00 C ATOM 1072 C VAL A 72 -5.963 -3.753 -4.392 1.00 0.00 C ATOM 1073 O VAL A 72 -5.109 -2.869 -4.464 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.689 -5.787 -2.972 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.214 -5.731 -3.342 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -5.876 -6.378 -1.583 1.00 0.00 C ATOM 0 H VAL A 72 -8.145 -5.385 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.921 -3.770 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.195 -6.434 -3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.785 -6.731 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.108 -5.353 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.691 -5.069 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.424 -7.369 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.398 -5.733 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.940 -6.456 -1.361 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.622 -4.212 -5.451 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.373 -3.691 -6.790 1.00 0.00 C ATOM 1088 C GLU A 73 -6.489 -2.170 -6.812 1.00 0.00 C ATOM 1089 O GLU A 73 -5.727 -1.489 -7.497 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.356 -4.304 -7.790 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.814 -4.068 -7.433 1.00 0.00 C ATOM 1092 CD GLU A 73 -9.749 -4.334 -8.596 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -10.148 -5.502 -8.783 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -10.083 -3.372 -9.320 1.00 0.00 O ATOM 0 H GLU A 73 -7.332 -4.943 -5.408 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.357 -3.964 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.161 -3.889 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.175 -5.377 -7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.088 -4.711 -6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.940 -3.038 -7.098 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.450 -1.644 -6.058 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.667 -0.204 -5.992 1.00 0.00 C ATOM 1103 C GLU A 74 -6.550 0.480 -5.209 1.00 0.00 C ATOM 1104 O GLU A 74 -6.101 1.568 -5.568 1.00 0.00 O ATOM 1105 CB GLU A 74 -9.019 0.102 -5.345 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.208 -0.334 -6.185 1.00 0.00 C ATOM 1107 CD GLU A 74 -11.531 0.134 -5.610 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -11.967 1.252 -5.957 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -12.131 -0.618 -4.813 1.00 0.00 O ATOM 0 H GLU A 74 -8.090 -2.194 -5.485 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.664 0.184 -7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.069 -0.393 -4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.089 1.174 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.097 0.057 -7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.214 -1.421 -6.263 1.00 0.00 H new ATOM 1116 N ALA A 75 -6.106 -0.167 -4.136 1.00 0.00 N ATOM 1117 CA ALA A 75 -5.041 0.376 -3.303 1.00 0.00 C ATOM 1118 C ALA A 75 -3.745 0.523 -4.094 1.00 0.00 C ATOM 1119 O ALA A 75 -3.127 1.588 -4.097 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.820 -0.509 -2.085 1.00 0.00 C ATOM 0 H ALA A 75 -6.468 -1.068 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.346 1.367 -2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.022 -0.091 -1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.738 -0.559 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.541 -1.512 -2.409 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.340 -0.551 -4.762 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.118 -0.540 -5.557 1.00 0.00 C ATOM 1128 C ILE A 76 -2.039 0.710 -6.426 1.00 0.00 C ATOM 1129 O ILE A 76 -1.057 1.450 -6.380 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.021 -1.786 -6.457 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -1.996 -3.057 -5.606 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.784 -1.707 -7.339 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.476 -4.288 -6.343 1.00 0.00 C ATOM 0 H ILE A 76 -3.840 -1.440 -4.769 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.284 -0.544 -4.855 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.900 -1.821 -7.100 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.979 -3.228 -5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.618 -2.906 -4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.729 -2.595 -7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.842 -0.818 -7.968 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.106 -1.651 -6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.431 -5.151 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.504 -4.137 -6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.839 -4.464 -7.210 1.00 0.00 H new ATOM 1145 N ASP A 77 -3.081 0.939 -7.218 1.00 0.00 N ATOM 1146 CA ASP A 77 -3.132 2.102 -8.097 1.00 0.00 C ATOM 1147 C ASP A 77 -2.636 3.351 -7.375 1.00 0.00 C ATOM 1148 O ASP A 77 -1.927 4.175 -7.953 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.558 2.323 -8.604 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.621 3.333 -9.733 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -4.589 4.548 -9.443 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -4.703 2.910 -10.905 1.00 0.00 O ATOM 0 H ASP A 77 -3.901 0.335 -7.269 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.478 1.912 -8.948 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.970 1.374 -8.946 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.185 2.664 -7.780 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.016 3.486 -6.108 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.611 4.635 -5.307 1.00 0.00 C ATOM 1159 C HIS A 78 -1.129 4.554 -4.950 1.00 0.00 C ATOM 1160 O HIS A 78 -0.401 5.542 -5.054 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.450 4.717 -4.032 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.117 5.894 -3.169 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.029 6.879 -2.854 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -1.963 6.241 -2.551 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.450 7.782 -2.082 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.196 7.417 -1.883 1.00 0.00 N ATOM 0 H HIS A 78 -3.604 2.814 -5.615 1.00 0.00 H new ATOM 0 HA HIS A 78 -2.776 5.535 -5.900 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.505 4.763 -4.304 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.309 3.803 -3.455 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -4.999 6.906 -3.168 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.032 5.694 -2.579 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -3.922 8.667 -1.682 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.691 3.372 -4.530 1.00 0.00 N ATOM 1175 CA ILE A 79 0.703 3.163 -4.158 1.00 0.00 C ATOM 1176 C ILE A 79 1.638 3.529 -5.305 1.00 0.00 C ATOM 1177 O ILE A 79 2.570 4.315 -5.134 1.00 0.00 O ATOM 1178 CB ILE A 79 0.962 1.702 -3.746 1.00 0.00 C ATOM 1179 CG1 ILE A 79 0.011 1.290 -2.620 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.410 1.522 -3.315 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.053 -0.188 -2.303 1.00 0.00 C ATOM 0 H ILE A 79 -1.281 2.545 -4.439 1.00 0.00 H new ATOM 0 HA ILE A 79 0.904 3.813 -3.307 1.00 0.00 H new ATOM 0 HB ILE A 79 0.776 1.059 -4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.260 1.853 -1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.007 1.565 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.578 0.484 -3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.071 1.780 -4.143 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.621 2.173 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.646 -0.407 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.226 -0.758 -3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.061 -0.466 -1.995 1.00 0.00 H new ATOM 1193 N LEU A 80 1.382 2.955 -6.476 1.00 0.00 N ATOM 1194 CA LEU A 80 2.200 3.223 -7.654 1.00 0.00 C ATOM 1195 C LEU A 80 2.109 4.690 -8.059 1.00 0.00 C ATOM 1196 O LEU A 80 3.088 5.281 -8.514 1.00 0.00 O ATOM 1197 CB LEU A 80 1.760 2.332 -8.817 1.00 0.00 C ATOM 1198 CG LEU A 80 2.456 0.975 -8.925 1.00 0.00 C ATOM 1199 CD1 LEU A 80 1.735 0.083 -9.924 1.00 0.00 C ATOM 1200 CD2 LEU A 80 3.914 1.153 -9.320 1.00 0.00 C ATOM 0 H LEU A 80 0.615 2.302 -6.635 1.00 0.00 H new ATOM 0 HA LEU A 80 3.237 2.999 -7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.687 2.161 -8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.923 2.876 -9.747 1.00 0.00 H new ATOM 0 HG LEU A 80 2.422 0.492 -7.948 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.245 -0.878 -9.987 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.707 -0.072 -9.597 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.736 0.560 -10.904 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.393 0.177 -9.392 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.971 1.657 -10.285 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.424 1.753 -8.567 1.00 0.00 H new ATOM 1212 N ASN A 81 0.927 5.274 -7.888 1.00 0.00 N ATOM 1213 CA ASN A 81 0.709 6.673 -8.234 1.00 0.00 C ATOM 1214 C ASN A 81 1.740 7.569 -7.554 1.00 0.00 C ATOM 1215 O ASN A 81 2.363 8.416 -8.197 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.703 7.106 -7.831 1.00 0.00 C ATOM 1217 CG ASN A 81 -0.817 8.606 -7.644 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.098 9.378 -8.279 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -1.724 9.026 -6.770 1.00 0.00 N ATOM 0 H ASN A 81 0.106 4.800 -7.512 1.00 0.00 H new ATOM 0 HA ASN A 81 0.820 6.775 -9.314 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.411 6.783 -8.595 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.983 6.605 -6.904 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.847 10.025 -6.602 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.298 8.350 -6.266 1.00 0.00 H new ATOM 1226 N LEU A 82 1.916 7.377 -6.252 1.00 0.00 N ATOM 1227 CA LEU A 82 2.873 8.167 -5.484 1.00 0.00 C ATOM 1228 C LEU A 82 4.305 7.796 -5.854 1.00 0.00 C ATOM 1229 O LEU A 82 5.212 8.624 -5.768 1.00 0.00 O ATOM 1230 CB LEU A 82 2.650 7.958 -3.985 1.00 0.00 C ATOM 1231 CG LEU A 82 1.220 8.159 -3.484 1.00 0.00 C ATOM 1232 CD1 LEU A 82 1.080 7.662 -2.054 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.821 9.625 -3.583 1.00 0.00 C ATOM 0 H LEU A 82 1.409 6.681 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 82 2.716 9.218 -5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.964 6.946 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.303 8.641 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 82 0.549 7.577 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.055 7.813 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.323 6.600 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.762 8.216 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.200 9.749 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.496 10.228 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.880 9.949 -4.622 1.00 0.00 H new ATOM 1245 N GLU A 83 4.501 6.548 -6.267 1.00 0.00 N ATOM 1246 CA GLU A 83 5.824 6.069 -6.651 1.00 0.00 C ATOM 1247 C GLU A 83 6.449 6.982 -7.702 1.00 0.00 C ATOM 1248 O GLU A 83 7.626 7.330 -7.615 1.00 0.00 O ATOM 1249 CB GLU A 83 5.737 4.639 -7.188 1.00 0.00 C ATOM 1250 CG GLU A 83 7.087 3.956 -7.322 1.00 0.00 C ATOM 1251 CD GLU A 83 7.006 2.647 -8.083 1.00 0.00 C ATOM 1252 OE1 GLU A 83 6.174 1.794 -7.709 1.00 0.00 O ATOM 1253 OE2 GLU A 83 7.774 2.476 -9.053 1.00 0.00 O ATOM 0 H GLU A 83 3.761 5.850 -6.344 1.00 0.00 H new ATOM 0 HA GLU A 83 6.457 6.078 -5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.105 4.049 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.249 4.655 -8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.780 4.626 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.496 3.770 -6.329 1.00 0.00 H new ATOM 1260 N GLU A 84 5.651 7.366 -8.694 1.00 0.00 N ATOM 1261 CA GLU A 84 6.126 8.237 -9.762 1.00 0.00 C ATOM 1262 C GLU A 84 6.301 9.667 -9.261 1.00 0.00 C ATOM 1263 O GLU A 84 7.326 10.302 -9.508 1.00 0.00 O ATOM 1264 CB GLU A 84 5.152 8.213 -10.941 1.00 0.00 C ATOM 1265 CG GLU A 84 5.411 7.082 -11.923 1.00 0.00 C ATOM 1266 CD GLU A 84 4.244 6.846 -12.862 1.00 0.00 C ATOM 1267 OE1 GLU A 84 3.180 6.398 -12.387 1.00 0.00 O ATOM 1268 OE2 GLU A 84 4.395 7.111 -14.073 1.00 0.00 O ATOM 0 H GLU A 84 4.673 7.088 -8.780 1.00 0.00 H new ATOM 0 HA GLU A 84 7.096 7.866 -10.094 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.135 8.125 -10.559 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.213 9.164 -11.471 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.302 7.310 -12.507 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.618 6.166 -11.370 1.00 0.00 H new ATOM 1275 N GLU A 85 5.291 10.168 -8.555 1.00 0.00 N ATOM 1276 CA GLU A 85 5.333 11.524 -8.020 1.00 0.00 C ATOM 1277 C GLU A 85 6.587 11.739 -7.179 1.00 0.00 C ATOM 1278 O GLU A 85 7.399 12.618 -7.468 1.00 0.00 O ATOM 1279 CB GLU A 85 4.086 11.802 -7.178 1.00 0.00 C ATOM 1280 CG GLU A 85 4.145 13.117 -6.419 1.00 0.00 C ATOM 1281 CD GLU A 85 3.351 13.082 -5.128 1.00 0.00 C ATOM 1282 OE1 GLU A 85 3.812 12.434 -4.165 1.00 0.00 O ATOM 1283 OE2 GLU A 85 2.269 13.703 -5.080 1.00 0.00 O ATOM 0 H GLU A 85 4.435 9.656 -8.341 1.00 0.00 H new ATOM 0 HA GLU A 85 5.358 12.218 -8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.212 11.807 -7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.949 10.987 -6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.185 13.357 -6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.763 13.916 -7.054 1.00 0.00 H new ATOM 1290 N TYR A 86 6.739 10.930 -6.136 1.00 0.00 N ATOM 1291 CA TYR A 86 7.892 11.032 -5.250 1.00 0.00 C ATOM 1292 C TYR A 86 9.195 10.906 -6.034 1.00 0.00 C ATOM 1293 O TYR A 86 10.087 11.746 -5.918 1.00 0.00 O ATOM 1294 CB TYR A 86 7.828 9.952 -4.168 1.00 0.00 C ATOM 1295 CG TYR A 86 6.816 10.242 -3.083 1.00 0.00 C ATOM 1296 CD1 TYR A 86 6.725 11.504 -2.509 1.00 0.00 C ATOM 1297 CD2 TYR A 86 5.950 9.253 -2.632 1.00 0.00 C ATOM 1298 CE1 TYR A 86 5.803 11.773 -1.517 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.023 9.513 -1.641 1.00 0.00 C ATOM 1300 CZ TYR A 86 4.954 10.774 -1.086 1.00 0.00 C ATOM 1301 OH TYR A 86 4.033 11.038 -0.099 1.00 0.00 O ATOM 0 H TYR A 86 6.077 10.196 -5.884 1.00 0.00 H new ATOM 0 HA TYR A 86 7.868 12.013 -4.776 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.585 8.997 -4.634 1.00 0.00 H new ATOM 0 HB3 TYR A 86 8.813 9.845 -3.715 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.387 12.288 -2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.003 8.264 -3.064 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.747 12.759 -1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.356 8.734 -1.303 1.00 0.00 H new ATOM 0 HH TYR A 86 4.308 10.597 0.732 1.00 0.00 H new ATOM 1311 N LEU A 87 9.296 9.849 -6.834 1.00 0.00 N ATOM 1312 CA LEU A 87 10.488 9.611 -7.639 1.00 0.00 C ATOM 1313 C LEU A 87 10.856 10.851 -8.448 1.00 0.00 C ATOM 1314 O LEU A 87 12.029 11.210 -8.553 1.00 0.00 O ATOM 1315 CB LEU A 87 10.265 8.424 -8.578 1.00 0.00 C ATOM 1316 CG LEU A 87 10.577 7.043 -8.000 1.00 0.00 C ATOM 1317 CD1 LEU A 87 10.126 5.950 -8.957 1.00 0.00 C ATOM 1318 CD2 LEU A 87 12.063 6.914 -7.701 1.00 0.00 C ATOM 0 H LEU A 87 8.567 9.144 -6.942 1.00 0.00 H new ATOM 0 HA LEU A 87 11.312 9.383 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.224 8.433 -8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.877 8.570 -9.468 1.00 0.00 H new ATOM 0 HG LEU A 87 10.028 6.928 -7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.356 4.974 -8.529 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.051 6.030 -9.121 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.647 6.061 -9.908 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.267 5.925 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.632 7.050 -8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.356 7.675 -6.977 1.00 0.00 H new ATOM 1330 N ALA A 88 9.846 11.502 -9.015 1.00 0.00 N ATOM 1331 CA ALA A 88 10.063 12.705 -9.810 1.00 0.00 C ATOM 1332 C ALA A 88 10.982 13.683 -9.087 1.00 0.00 C ATOM 1333 O ALA A 88 11.649 14.504 -9.717 1.00 0.00 O ATOM 1334 CB ALA A 88 8.733 13.369 -10.136 1.00 0.00 C ATOM 0 H ALA A 88 8.870 11.217 -8.939 1.00 0.00 H new ATOM 0 HA ALA A 88 10.548 12.413 -10.741 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.910 14.266 -10.730 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.110 12.676 -10.702 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.226 13.641 -9.210 1.00 0.00 H new ATOM 1340 N ASP A 89 11.012 13.590 -7.762 1.00 0.00 N ATOM 1341 CA ASP A 89 11.850 14.467 -6.953 1.00 0.00 C ATOM 1342 C ASP A 89 13.182 13.798 -6.628 1.00 0.00 C ATOM 1343 O ASP A 89 13.549 13.656 -5.462 1.00 0.00 O ATOM 1344 CB ASP A 89 11.128 14.847 -5.660 1.00 0.00 C ATOM 1345 CG ASP A 89 11.663 16.130 -5.053 1.00 0.00 C ATOM 1346 OD1 ASP A 89 12.851 16.154 -4.669 1.00 0.00 O ATOM 1347 OD2 ASP A 89 10.893 17.109 -4.962 1.00 0.00 O ATOM 0 H ASP A 89 10.466 12.916 -7.226 1.00 0.00 H new ATOM 0 HA ASP A 89 12.049 15.371 -7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.063 14.961 -5.862 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.231 14.037 -4.938 1.00 0.00 H new ATOM 1352 N SER A 90 13.901 13.387 -7.668 1.00 0.00 N ATOM 1353 CA SER A 90 15.190 12.728 -7.493 1.00 0.00 C ATOM 1354 C SER A 90 16.315 13.754 -7.389 1.00 0.00 C ATOM 1355 O SER A 90 17.190 13.646 -6.531 1.00 0.00 O ATOM 1356 CB SER A 90 15.461 11.774 -8.658 1.00 0.00 C ATOM 1357 OG SER A 90 16.641 11.021 -8.437 1.00 0.00 O ATOM 0 H SER A 90 13.613 13.499 -8.640 1.00 0.00 H new ATOM 0 HA SER A 90 15.155 12.157 -6.565 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.614 11.100 -8.784 1.00 0.00 H new ATOM 0 HB3 SER A 90 15.557 12.343 -9.583 1.00 0.00 H new ATOM 0 HG SER A 90 16.791 10.418 -9.195 1.00 0.00 H new ATOM 1363 N GLY A 91 16.284 14.749 -8.270 1.00 0.00 N ATOM 1364 CA GLY A 91 17.305 15.780 -8.261 1.00 0.00 C ATOM 1365 C GLY A 91 16.721 17.173 -8.126 1.00 0.00 C ATOM 1366 O GLY A 91 15.582 17.353 -7.696 1.00 0.00 O ATOM 0 H GLY A 91 15.570 14.859 -8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.995 15.597 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 91 17.885 15.720 -9.182 1.00 0.00 H new ATOM 1370 N PRO A 92 17.514 18.189 -8.499 1.00 0.00 N ATOM 1371 CA PRO A 92 17.090 19.591 -8.426 1.00 0.00 C ATOM 1372 C PRO A 92 16.013 19.925 -9.452 1.00 0.00 C ATOM 1373 O PRO A 92 16.279 19.967 -10.653 1.00 0.00 O ATOM 1374 CB PRO A 92 18.376 20.365 -8.727 1.00 0.00 C ATOM 1375 CG PRO A 92 19.205 19.425 -9.532 1.00 0.00 C ATOM 1376 CD PRO A 92 18.883 18.048 -9.021 1.00 0.00 C ATOM 0 HA PRO A 92 16.646 19.834 -7.461 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.167 21.281 -9.280 1.00 0.00 H new ATOM 0 HB3 PRO A 92 18.887 20.656 -7.809 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.973 19.511 -10.594 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.266 19.645 -9.418 1.00 0.00 H new ATOM 0 HD2 PRO A 92 18.936 17.303 -9.814 1.00 0.00 H new ATOM 0 HD3 PRO A 92 19.579 17.735 -8.243 1.00 0.00 H new ATOM 1384 N SER A 93 14.797 20.163 -8.970 1.00 0.00 N ATOM 1385 CA SER A 93 13.679 20.491 -9.847 1.00 0.00 C ATOM 1386 C SER A 93 13.631 21.990 -10.129 1.00 0.00 C ATOM 1387 O SER A 93 13.622 22.415 -11.284 1.00 0.00 O ATOM 1388 CB SER A 93 12.361 20.037 -9.218 1.00 0.00 C ATOM 1389 OG SER A 93 12.145 20.673 -7.970 1.00 0.00 O ATOM 0 H SER A 93 14.561 20.135 -7.978 1.00 0.00 H new ATOM 0 HA SER A 93 13.823 19.966 -10.791 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.535 20.264 -9.893 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.373 18.956 -9.081 1.00 0.00 H new ATOM 0 HG SER A 93 11.295 20.367 -7.590 1.00 0.00 H new ATOM 1395 N SER A 94 13.601 22.785 -9.064 1.00 0.00 N ATOM 1396 CA SER A 94 13.551 24.237 -9.196 1.00 0.00 C ATOM 1397 C SER A 94 14.578 24.726 -10.212 1.00 0.00 C ATOM 1398 O SER A 94 15.585 24.065 -10.462 1.00 0.00 O ATOM 1399 CB SER A 94 13.800 24.902 -7.841 1.00 0.00 C ATOM 1400 OG SER A 94 12.692 24.728 -6.975 1.00 0.00 O ATOM 0 H SER A 94 13.610 22.449 -8.101 1.00 0.00 H new ATOM 0 HA SER A 94 12.557 24.511 -9.550 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.693 24.477 -7.383 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.990 25.966 -7.984 1.00 0.00 H new ATOM 0 HG SER A 94 12.877 25.161 -6.116 1.00 0.00 H new ATOM 1406 N GLY A 95 14.314 25.892 -10.796 1.00 0.00 N ATOM 1407 CA GLY A 95 15.223 26.451 -11.779 1.00 0.00 C ATOM 1408 C GLY A 95 15.908 27.710 -11.285 1.00 0.00 C ATOM 1409 O GLY A 95 16.530 27.710 -10.223 1.00 0.00 O ATOM 0 H GLY A 95 13.487 26.458 -10.606 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.977 25.707 -12.036 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.672 26.675 -12.693 1.00 0.00 H new TER 1413 GLY A 95