USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0271 (180deg=-0.429) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0.62 (180deg=0.273) USER MOD Single : A 2 GLN : amide:sc= -2.22 X(o=-2.2,f=-2.4) USER MOD Single : A 6 LYS NZ :NH3+ 153:sc= -0.0415 (180deg=-0.982) USER MOD Single : A 7 THR OG1 : rot 147:sc= -0.472 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -134:sc= 0.165 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.215) USER MOD Single : A 29 LYS NZ :NH3+ -127:sc= -0.966 (180deg=-2.82!) USER MOD Single : A 31 GLN : amide:sc= -2.82! C(o=-2.8!,f=-2.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.4) USER MOD Single : A 41 GLN : amide:sc= -6.59! C(o=-6.6!,f=-14!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.29 K(o=-1.3,f=-3.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -49:sc= 1.07 USER MOD Single : A 60 ASN : amide:sc= -0.074 K(o=-0.074,f=-2.1!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.142) USER MOD Single : A 65 SER OG : rot 41:sc= -0.968! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.839 -5.449 4.835 1.00 0.00 N ATOM 2 CA MET A 1 -12.756 -4.880 6.169 1.00 0.00 C ATOM 3 C MET A 1 -11.965 -3.571 6.159 1.00 0.00 C ATOM 4 O MET A 1 -11.605 -3.067 5.096 1.00 0.00 O ATOM 5 CB MET A 1 -12.077 -5.879 7.109 1.00 0.00 C ATOM 6 CG MET A 1 -10.626 -6.125 6.691 1.00 0.00 C ATOM 7 SD MET A 1 -9.860 -7.295 7.802 1.00 0.00 S ATOM 8 CE MET A 1 -10.651 -8.801 7.258 1.00 0.00 C ATOM 0 H1 MET A 1 -13.245 -6.405 4.890 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.445 -4.850 4.239 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.887 -5.500 4.420 1.00 0.00 H new ATOM 0 HA MET A 1 -13.767 -4.669 6.517 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.106 -5.500 8.131 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.626 -6.821 7.103 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.593 -6.505 5.670 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.072 -5.186 6.700 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.058 -9.659 7.576 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.648 -8.867 7.694 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.731 -8.798 6.171 1.00 0.00 H new ATOM 18 N GLN A 2 -11.718 -3.056 7.355 1.00 0.00 N ATOM 19 CA GLN A 2 -10.976 -1.814 7.496 1.00 0.00 C ATOM 20 C GLN A 2 -9.476 -2.100 7.586 1.00 0.00 C ATOM 21 O GLN A 2 -9.068 -3.144 8.092 1.00 0.00 O ATOM 22 CB GLN A 2 -11.459 -1.023 8.714 1.00 0.00 C ATOM 23 CG GLN A 2 -10.648 0.262 8.889 1.00 0.00 C ATOM 24 CD GLN A 2 -11.517 1.384 9.462 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.017 2.241 8.752 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.667 1.331 10.782 1.00 0.00 N ATOM 0 H GLN A 2 -12.018 -3.476 8.235 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.156 -1.202 6.612 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.515 -0.778 8.598 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.371 -1.638 9.610 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.804 0.076 9.553 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.236 0.570 7.928 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.220 0.586 11.317 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.229 2.036 11.260 1.00 0.00 H new ATOM 35 N ILE A 3 -8.694 -1.152 7.089 1.00 0.00 N ATOM 36 CA ILE A 3 -7.248 -1.288 7.107 1.00 0.00 C ATOM 37 C ILE A 3 -6.619 0.056 7.479 1.00 0.00 C ATOM 38 O ILE A 3 -7.238 1.105 7.308 1.00 0.00 O ATOM 39 CB ILE A 3 -6.747 -1.856 5.778 1.00 0.00 C ATOM 40 CG1 ILE A 3 -7.250 -1.019 4.600 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.123 -3.332 5.635 1.00 0.00 C ATOM 42 CD1 ILE A 3 -6.216 0.034 4.194 1.00 0.00 C ATOM 0 H ILE A 3 -9.035 -0.286 6.671 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.941 -2.005 7.869 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.658 -1.800 5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.464 -1.670 3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.186 -0.530 4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.755 -3.711 4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.675 -3.902 6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.207 -3.437 5.672 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.599 0.615 3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.023 0.698 5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.290 -0.460 3.901 1.00 0.00 H new ATOM 54 N PHE A 4 -5.395 -0.019 7.981 1.00 0.00 N ATOM 55 CA PHE A 4 -4.674 1.178 8.378 1.00 0.00 C ATOM 56 C PHE A 4 -3.388 1.339 7.565 1.00 0.00 C ATOM 57 O PHE A 4 -2.377 0.706 7.864 1.00 0.00 O ATOM 58 CB PHE A 4 -4.312 1.013 9.855 1.00 0.00 C ATOM 59 CG PHE A 4 -5.434 1.409 10.819 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.666 0.848 10.694 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.197 2.319 11.800 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.706 1.215 11.588 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.237 2.687 12.694 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.470 2.126 12.569 1.00 0.00 C ATOM 0 H PHE A 4 -4.884 -0.891 8.122 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.293 2.059 8.207 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.040 -0.026 10.038 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.431 1.616 10.072 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.853 0.124 9.915 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.217 2.762 11.900 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.685 0.770 11.489 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.049 3.412 13.473 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.261 2.404 13.249 1.00 0.00 H new ATOM 74 N VAL A 5 -3.469 2.190 6.552 1.00 0.00 N ATOM 75 CA VAL A 5 -2.324 2.443 5.694 1.00 0.00 C ATOM 76 C VAL A 5 -1.495 3.588 6.280 1.00 0.00 C ATOM 77 O VAL A 5 -2.047 4.540 6.828 1.00 0.00 O ATOM 78 CB VAL A 5 -2.792 2.715 4.263 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.557 4.038 4.179 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.614 2.699 3.288 1.00 0.00 C ATOM 0 H VAL A 5 -4.310 2.713 6.307 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.679 1.565 5.649 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.474 1.915 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.879 4.208 3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.430 3.995 4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.908 4.854 4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.975 2.895 2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.896 3.468 3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.131 1.722 3.317 1.00 0.00 H new ATOM 90 N LYS A 6 -0.185 3.457 6.143 1.00 0.00 N ATOM 91 CA LYS A 6 0.725 4.470 6.652 1.00 0.00 C ATOM 92 C LYS A 6 1.342 5.233 5.478 1.00 0.00 C ATOM 93 O LYS A 6 1.495 4.683 4.388 1.00 0.00 O ATOM 94 CB LYS A 6 1.761 3.839 7.586 1.00 0.00 C ATOM 95 CG LYS A 6 1.687 4.458 8.984 1.00 0.00 C ATOM 96 CD LYS A 6 2.908 4.068 9.820 1.00 0.00 C ATOM 97 CE LYS A 6 3.080 5.014 11.010 1.00 0.00 C ATOM 98 NZ LYS A 6 4.475 5.503 11.085 1.00 0.00 N ATOM 0 H LYS A 6 0.269 2.665 5.687 1.00 0.00 H new ATOM 0 HA LYS A 6 0.184 5.198 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.591 2.764 7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.760 3.979 7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.629 5.543 8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.777 4.127 9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.797 3.044 10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.803 4.093 9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.397 5.858 10.913 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.819 4.497 11.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.493 6.432 11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.050 4.830 11.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.864 5.591 10.125 1.00 0.00 H new ATOM 112 N THR A 7 1.676 6.488 5.739 1.00 0.00 N ATOM 113 CA THR A 7 2.271 7.332 4.716 1.00 0.00 C ATOM 114 C THR A 7 3.789 7.404 4.900 1.00 0.00 C ATOM 115 O THR A 7 4.306 7.050 5.959 1.00 0.00 O ATOM 116 CB THR A 7 1.586 8.699 4.775 1.00 0.00 C ATOM 117 OG1 THR A 7 1.976 9.228 6.039 1.00 0.00 O ATOM 118 CG2 THR A 7 0.064 8.588 4.870 1.00 0.00 C ATOM 0 H THR A 7 1.546 6.941 6.644 1.00 0.00 H new ATOM 0 HA THR A 7 2.116 6.917 3.720 1.00 0.00 H new ATOM 0 HB THR A 7 1.852 9.277 3.890 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.060 10.202 5.974 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.372 9.586 4.909 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.317 8.059 3.996 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.205 8.039 5.772 1.00 0.00 H new ATOM 126 N LEU A 8 4.458 7.862 3.854 1.00 0.00 N ATOM 127 CA LEU A 8 5.906 7.984 3.887 1.00 0.00 C ATOM 128 C LEU A 8 6.300 9.054 4.907 1.00 0.00 C ATOM 129 O LEU A 8 7.483 9.245 5.186 1.00 0.00 O ATOM 130 CB LEU A 8 6.454 8.243 2.482 1.00 0.00 C ATOM 131 CG LEU A 8 7.744 7.506 2.118 1.00 0.00 C ATOM 132 CD1 LEU A 8 7.455 6.054 1.730 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.512 8.249 1.024 1.00 0.00 C ATOM 0 H LEU A 8 4.025 8.153 2.978 1.00 0.00 H new ATOM 0 HA LEU A 8 6.360 7.048 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.686 7.969 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.628 9.314 2.373 1.00 0.00 H new ATOM 0 HG LEU A 8 8.384 7.483 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.389 5.553 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.984 5.540 2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.786 6.034 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.425 7.703 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.891 8.326 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.769 9.249 1.375 1.00 0.00 H new ATOM 145 N THR A 9 5.286 9.722 5.437 1.00 0.00 N ATOM 146 CA THR A 9 5.512 10.768 6.421 1.00 0.00 C ATOM 147 C THR A 9 5.297 10.225 7.835 1.00 0.00 C ATOM 148 O THR A 9 5.799 10.792 8.804 1.00 0.00 O ATOM 149 CB THR A 9 4.599 11.946 6.076 1.00 0.00 C ATOM 150 OG1 THR A 9 5.094 12.417 4.826 1.00 0.00 O ATOM 151 CG2 THR A 9 4.791 13.132 7.023 1.00 0.00 C ATOM 0 H THR A 9 4.306 9.560 5.204 1.00 0.00 H new ATOM 0 HA THR A 9 6.543 11.120 6.396 1.00 0.00 H new ATOM 0 HB THR A 9 3.559 11.620 6.108 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.557 13.181 4.528 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.120 13.941 6.734 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.568 12.822 8.044 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.823 13.479 6.967 1.00 0.00 H new ATOM 159 N GLY A 10 4.550 9.133 7.907 1.00 0.00 N ATOM 160 CA GLY A 10 4.263 8.507 9.187 1.00 0.00 C ATOM 161 C GLY A 10 2.804 8.732 9.592 1.00 0.00 C ATOM 162 O GLY A 10 2.389 8.333 10.679 1.00 0.00 O ATOM 0 H GLY A 10 4.135 8.666 7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.467 7.438 9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.924 8.915 9.952 1.00 0.00 H new ATOM 166 N LYS A 11 2.066 9.370 8.695 1.00 0.00 N ATOM 167 CA LYS A 11 0.663 9.652 8.945 1.00 0.00 C ATOM 168 C LYS A 11 -0.144 8.358 8.821 1.00 0.00 C ATOM 169 O LYS A 11 0.191 7.490 8.015 1.00 0.00 O ATOM 170 CB LYS A 11 0.171 10.774 8.029 1.00 0.00 C ATOM 171 CG LYS A 11 -1.304 11.089 8.290 1.00 0.00 C ATOM 172 CD LYS A 11 -1.527 12.596 8.428 1.00 0.00 C ATOM 173 CE LYS A 11 -2.998 12.954 8.209 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.119 14.109 7.291 1.00 0.00 N ATOM 0 H LYS A 11 2.414 9.699 7.794 1.00 0.00 H new ATOM 0 HA LYS A 11 0.524 10.018 9.962 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.772 11.669 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.305 10.483 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.912 10.701 7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.632 10.585 9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.212 12.925 9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.908 13.127 7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.530 12.097 7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.467 13.190 9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.124 14.339 7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.629 14.930 7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.689 13.870 6.374 1.00 0.00 H new ATOM 188 N THR A 12 -1.189 8.270 9.629 1.00 0.00 N ATOM 189 CA THR A 12 -2.046 7.097 9.620 1.00 0.00 C ATOM 190 C THR A 12 -3.349 7.394 8.875 1.00 0.00 C ATOM 191 O THR A 12 -4.088 8.303 9.249 1.00 0.00 O ATOM 192 CB THR A 12 -2.261 6.656 11.069 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.001 6.116 11.458 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.225 5.474 11.185 1.00 0.00 C ATOM 0 H THR A 12 -1.462 8.992 10.295 1.00 0.00 H new ATOM 0 HA THR A 12 -1.581 6.272 9.080 1.00 0.00 H new ATOM 0 HB THR A 12 -2.644 7.495 11.650 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.050 5.807 12.387 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.342 5.202 12.234 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.194 5.753 10.772 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.826 4.624 10.632 1.00 0.00 H new ATOM 202 N ILE A 13 -3.591 6.609 7.835 1.00 0.00 N ATOM 203 CA ILE A 13 -4.792 6.777 7.035 1.00 0.00 C ATOM 204 C ILE A 13 -5.547 5.447 6.972 1.00 0.00 C ATOM 205 O ILE A 13 -5.033 4.462 6.446 1.00 0.00 O ATOM 206 CB ILE A 13 -4.445 7.352 5.660 1.00 0.00 C ATOM 207 CG1 ILE A 13 -4.156 8.853 5.751 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.542 7.040 4.642 1.00 0.00 C ATOM 209 CD1 ILE A 13 -3.311 9.321 4.565 1.00 0.00 C ATOM 0 H ILE A 13 -2.976 5.855 7.528 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.460 7.503 7.499 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.534 6.869 5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.094 9.407 5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.634 9.071 6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.270 7.460 3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.656 5.960 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.483 7.477 4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.120 10.390 4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.363 8.782 4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.847 9.124 3.636 1.00 0.00 H new ATOM 221 N THR A 14 -6.755 5.463 7.516 1.00 0.00 N ATOM 222 CA THR A 14 -7.587 4.272 7.528 1.00 0.00 C ATOM 223 C THR A 14 -8.555 4.285 6.344 1.00 0.00 C ATOM 224 O THR A 14 -9.018 5.346 5.929 1.00 0.00 O ATOM 225 CB THR A 14 -8.288 4.199 8.886 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.234 4.367 9.830 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.838 2.803 9.186 1.00 0.00 C ATOM 0 H THR A 14 -7.178 6.283 7.952 1.00 0.00 H new ATOM 0 HA THR A 14 -6.988 3.370 7.406 1.00 0.00 H new ATOM 0 HB THR A 14 -9.102 4.924 8.914 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.322 3.699 10.541 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.325 2.806 10.161 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.561 2.524 8.420 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.020 2.083 9.192 1.00 0.00 H new ATOM 235 N LEU A 15 -8.832 3.095 5.834 1.00 0.00 N ATOM 236 CA LEU A 15 -9.737 2.955 4.707 1.00 0.00 C ATOM 237 C LEU A 15 -10.653 1.751 4.938 1.00 0.00 C ATOM 238 O LEU A 15 -10.197 0.695 5.372 1.00 0.00 O ATOM 239 CB LEU A 15 -8.952 2.886 3.394 1.00 0.00 C ATOM 240 CG LEU A 15 -9.698 3.344 2.140 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.953 2.499 1.910 1.00 0.00 C ATOM 242 CD2 LEU A 15 -10.019 4.839 2.209 1.00 0.00 C ATOM 0 H LEU A 15 -8.445 2.217 6.181 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.378 3.833 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.053 3.493 3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.626 1.857 3.243 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.046 3.193 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.465 2.845 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.670 1.454 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.619 2.596 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.549 5.139 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.644 5.037 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.092 5.407 2.291 1.00 0.00 H new ATOM 254 N GLU A 16 -11.928 1.953 4.639 1.00 0.00 N ATOM 255 CA GLU A 16 -12.912 0.898 4.809 1.00 0.00 C ATOM 256 C GLU A 16 -13.227 0.243 3.462 1.00 0.00 C ATOM 257 O GLU A 16 -13.817 0.872 2.586 1.00 0.00 O ATOM 258 CB GLU A 16 -14.184 1.436 5.468 1.00 0.00 C ATOM 259 CG GLU A 16 -14.550 2.812 4.912 1.00 0.00 C ATOM 260 CD GLU A 16 -15.979 3.198 5.300 1.00 0.00 C ATOM 261 OE1 GLU A 16 -16.784 2.265 5.505 1.00 0.00 O ATOM 262 OE2 GLU A 16 -16.233 4.420 5.384 1.00 0.00 O ATOM 0 H GLU A 16 -12.302 2.832 4.280 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.492 0.140 5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.007 0.741 5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.039 1.503 6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.852 3.559 5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.453 2.807 3.826 1.00 0.00 H new ATOM 269 N VAL A 17 -12.820 -1.012 3.341 1.00 0.00 N ATOM 270 CA VAL A 17 -13.051 -1.758 2.116 1.00 0.00 C ATOM 271 C VAL A 17 -13.561 -3.158 2.465 1.00 0.00 C ATOM 272 O VAL A 17 -13.756 -3.477 3.637 1.00 0.00 O ATOM 273 CB VAL A 17 -11.778 -1.781 1.268 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.437 -0.380 0.753 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.607 -2.376 2.053 1.00 0.00 C ATOM 0 H VAL A 17 -12.332 -1.531 4.071 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.818 -1.272 1.513 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.962 -2.420 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.528 -0.424 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.258 -0.008 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.282 0.291 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.714 -2.381 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.423 -1.775 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.848 -3.397 2.348 1.00 0.00 H new ATOM 285 N GLU A 18 -13.764 -3.955 1.427 1.00 0.00 N ATOM 286 CA GLU A 18 -14.248 -5.313 1.609 1.00 0.00 C ATOM 287 C GLU A 18 -13.124 -6.317 1.347 1.00 0.00 C ATOM 288 O GLU A 18 -12.149 -6.000 0.667 1.00 0.00 O ATOM 289 CB GLU A 18 -15.452 -5.591 0.708 1.00 0.00 C ATOM 290 CG GLU A 18 -16.760 -5.507 1.499 1.00 0.00 C ATOM 291 CD GLU A 18 -17.746 -4.550 0.826 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.261 -3.619 0.147 1.00 0.00 O ATOM 293 OE2 GLU A 18 -18.964 -4.771 1.006 1.00 0.00 O ATOM 0 H GLU A 18 -13.602 -3.687 0.456 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.575 -5.426 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.471 -4.872 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.356 -6.581 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -17.206 -6.498 1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.554 -5.168 2.514 1.00 0.00 H new ATOM 300 N PRO A 19 -13.300 -7.540 1.916 1.00 0.00 N ATOM 301 CA PRO A 19 -12.312 -8.591 1.751 1.00 0.00 C ATOM 302 C PRO A 19 -12.385 -9.196 0.346 1.00 0.00 C ATOM 303 O PRO A 19 -11.467 -9.897 -0.079 1.00 0.00 O ATOM 304 CB PRO A 19 -12.622 -9.598 2.847 1.00 0.00 C ATOM 305 CG PRO A 19 -14.046 -9.308 3.290 1.00 0.00 C ATOM 306 CD PRO A 19 -14.441 -7.951 2.729 1.00 0.00 C ATOM 0 HA PRO A 19 -11.289 -8.225 1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.529 -10.619 2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.926 -9.496 3.679 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.723 -10.082 2.929 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.115 -9.306 4.378 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.350 -8.019 2.131 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.637 -7.235 3.527 1.00 0.00 H new ATOM 314 N SER A 20 -13.483 -8.903 -0.333 1.00 0.00 N ATOM 315 CA SER A 20 -13.687 -9.410 -1.680 1.00 0.00 C ATOM 316 C SER A 20 -13.102 -8.431 -2.700 1.00 0.00 C ATOM 317 O SER A 20 -12.761 -8.823 -3.815 1.00 0.00 O ATOM 318 CB SER A 20 -15.173 -9.643 -1.961 1.00 0.00 C ATOM 319 OG SER A 20 -15.585 -10.958 -1.594 1.00 0.00 O ATOM 0 H SER A 20 -14.241 -8.321 0.023 1.00 0.00 H new ATOM 0 HA SER A 20 -13.174 -10.368 -1.767 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.765 -8.911 -1.412 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.371 -9.483 -3.021 1.00 0.00 H new ATOM 0 HG SER A 20 -16.540 -11.068 -1.787 1.00 0.00 H new ATOM 325 N ASP A 21 -13.003 -7.178 -2.282 1.00 0.00 N ATOM 326 CA ASP A 21 -12.465 -6.141 -3.146 1.00 0.00 C ATOM 327 C ASP A 21 -10.993 -6.439 -3.437 1.00 0.00 C ATOM 328 O ASP A 21 -10.285 -6.978 -2.587 1.00 0.00 O ATOM 329 CB ASP A 21 -12.545 -4.768 -2.476 1.00 0.00 C ATOM 330 CG ASP A 21 -13.909 -4.422 -1.873 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.877 -5.137 -2.211 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.952 -3.451 -1.088 1.00 0.00 O ATOM 0 H ASP A 21 -13.286 -6.857 -1.356 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.053 -6.129 -4.064 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.793 -4.720 -1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.285 -4.006 -3.211 1.00 0.00 H new ATOM 337 N THR A 22 -10.575 -6.076 -4.640 1.00 0.00 N ATOM 338 CA THR A 22 -9.200 -6.297 -5.054 1.00 0.00 C ATOM 339 C THR A 22 -8.312 -5.138 -4.598 1.00 0.00 C ATOM 340 O THR A 22 -8.812 -4.110 -4.143 1.00 0.00 O ATOM 341 CB THR A 22 -9.190 -6.510 -6.569 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.507 -5.227 -7.101 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.338 -7.405 -7.042 1.00 0.00 C ATOM 0 H THR A 22 -11.165 -5.630 -5.342 1.00 0.00 H new ATOM 0 HA THR A 22 -8.785 -7.188 -4.583 1.00 0.00 H new ATOM 0 HB THR A 22 -8.239 -6.952 -6.868 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.520 -5.273 -8.080 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.285 -7.524 -8.124 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.258 -8.382 -6.565 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.290 -6.947 -6.774 1.00 0.00 H new ATOM 351 N ILE A 23 -7.011 -5.342 -4.733 1.00 0.00 N ATOM 352 CA ILE A 23 -6.048 -4.327 -4.342 1.00 0.00 C ATOM 353 C ILE A 23 -6.252 -3.078 -5.200 1.00 0.00 C ATOM 354 O ILE A 23 -6.038 -1.959 -4.736 1.00 0.00 O ATOM 355 CB ILE A 23 -4.625 -4.887 -4.398 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.318 -5.731 -3.160 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.603 -3.766 -4.594 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.442 -4.898 -1.883 1.00 0.00 C ATOM 0 H ILE A 23 -6.600 -6.197 -5.108 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.208 -4.031 -3.305 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.551 -5.546 -5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.003 -6.578 -3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.310 -6.140 -3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.600 -4.191 -4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.810 -3.244 -5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.670 -3.063 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.219 -5.523 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.739 -4.066 -1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.457 -4.511 -1.798 1.00 0.00 H new ATOM 370 N GLU A 24 -6.664 -3.310 -6.438 1.00 0.00 N ATOM 371 CA GLU A 24 -6.900 -2.218 -7.366 1.00 0.00 C ATOM 372 C GLU A 24 -8.096 -1.382 -6.909 1.00 0.00 C ATOM 373 O GLU A 24 -8.082 -0.157 -7.023 1.00 0.00 O ATOM 374 CB GLU A 24 -7.109 -2.742 -8.789 1.00 0.00 C ATOM 375 CG GLU A 24 -6.690 -1.697 -9.825 1.00 0.00 C ATOM 376 CD GLU A 24 -7.605 -1.745 -11.050 1.00 0.00 C ATOM 377 OE1 GLU A 24 -8.776 -1.335 -10.901 1.00 0.00 O ATOM 378 OE2 GLU A 24 -7.111 -2.188 -12.110 1.00 0.00 O ATOM 0 H GLU A 24 -6.840 -4.239 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.017 -1.579 -7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.530 -3.654 -8.933 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.157 -3.003 -8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.724 -0.703 -9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.658 -1.874 -10.129 1.00 0.00 H new ATOM 385 N ASN A 25 -9.103 -2.076 -6.400 1.00 0.00 N ATOM 386 CA ASN A 25 -10.306 -1.412 -5.925 1.00 0.00 C ATOM 387 C ASN A 25 -9.963 -0.559 -4.703 1.00 0.00 C ATOM 388 O ASN A 25 -10.349 0.606 -4.626 1.00 0.00 O ATOM 389 CB ASN A 25 -11.369 -2.431 -5.508 1.00 0.00 C ATOM 390 CG ASN A 25 -12.727 -2.090 -6.123 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.477 -1.270 -5.619 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.000 -2.760 -7.238 1.00 0.00 N ATOM 0 H ASN A 25 -9.111 -3.092 -6.306 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.695 -0.797 -6.736 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.064 -3.429 -5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.453 -2.451 -4.421 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.882 -2.601 -7.725 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.328 -3.433 -7.606 1.00 0.00 H new ATOM 399 N VAL A 26 -9.240 -1.173 -3.777 1.00 0.00 N ATOM 400 CA VAL A 26 -8.841 -0.484 -2.561 1.00 0.00 C ATOM 401 C VAL A 26 -7.913 0.678 -2.920 1.00 0.00 C ATOM 402 O VAL A 26 -8.011 1.758 -2.338 1.00 0.00 O ATOM 403 CB VAL A 26 -8.208 -1.474 -1.582 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.750 -0.767 -0.305 1.00 0.00 C ATOM 405 CG2 VAL A 26 -9.171 -2.619 -1.260 1.00 0.00 C ATOM 0 H VAL A 26 -8.920 -2.139 -3.844 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.711 -0.062 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.328 -1.902 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.304 -1.494 0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.013 -0.004 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.607 -0.298 0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.696 -3.308 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.079 -2.216 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.425 -3.150 -2.178 1.00 0.00 H new ATOM 415 N LYS A 27 -7.034 0.418 -3.877 1.00 0.00 N ATOM 416 CA LYS A 27 -6.090 1.429 -4.320 1.00 0.00 C ATOM 417 C LYS A 27 -6.853 2.581 -4.975 1.00 0.00 C ATOM 418 O LYS A 27 -6.522 3.748 -4.767 1.00 0.00 O ATOM 419 CB LYS A 27 -5.023 0.806 -5.223 1.00 0.00 C ATOM 420 CG LYS A 27 -3.931 0.127 -4.394 1.00 0.00 C ATOM 421 CD LYS A 27 -2.550 0.358 -5.012 1.00 0.00 C ATOM 422 CE LYS A 27 -1.947 -0.957 -5.511 1.00 0.00 C ATOM 423 NZ LYS A 27 -0.526 -0.766 -5.881 1.00 0.00 N ATOM 0 H LYS A 27 -6.956 -0.478 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.551 1.846 -3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.485 0.077 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.580 1.577 -5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.947 0.516 -3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.130 -0.943 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.631 1.063 -5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.888 0.809 -4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.028 -1.719 -4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.508 -1.318 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.019 -1.670 -5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.465 -0.431 -6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.094 -0.062 -5.248 1.00 0.00 H new ATOM 437 N ALA A 28 -7.860 2.215 -5.754 1.00 0.00 N ATOM 438 CA ALA A 28 -8.673 3.204 -6.442 1.00 0.00 C ATOM 439 C ALA A 28 -9.357 4.101 -5.409 1.00 0.00 C ATOM 440 O ALA A 28 -9.440 5.315 -5.593 1.00 0.00 O ATOM 441 CB ALA A 28 -9.676 2.496 -7.354 1.00 0.00 C ATOM 0 H ALA A 28 -8.132 1.247 -5.924 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.052 3.840 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.286 3.238 -7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.139 1.894 -8.087 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.319 1.851 -6.756 1.00 0.00 H new ATOM 447 N LYS A 29 -9.831 3.471 -4.345 1.00 0.00 N ATOM 448 CA LYS A 29 -10.505 4.198 -3.282 1.00 0.00 C ATOM 449 C LYS A 29 -9.518 5.163 -2.623 1.00 0.00 C ATOM 450 O LYS A 29 -9.863 6.307 -2.334 1.00 0.00 O ATOM 451 CB LYS A 29 -11.162 3.224 -2.300 1.00 0.00 C ATOM 452 CG LYS A 29 -12.666 3.484 -2.194 1.00 0.00 C ATOM 453 CD LYS A 29 -13.367 2.343 -1.455 1.00 0.00 C ATOM 454 CE LYS A 29 -14.455 2.882 -0.523 1.00 0.00 C ATOM 455 NZ LYS A 29 -13.914 3.957 0.338 1.00 0.00 N ATOM 0 H LYS A 29 -9.762 2.464 -4.196 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.317 4.801 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.989 2.199 -2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.701 3.326 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.841 4.424 -1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.092 3.592 -3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.808 1.655 -2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.637 1.775 -0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.289 3.264 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.845 2.074 0.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.117 3.739 1.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.885 4.027 0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.359 4.862 0.084 1.00 0.00 H new ATOM 469 N ILE A 30 -8.308 4.666 -2.408 1.00 0.00 N ATOM 470 CA ILE A 30 -7.269 5.470 -1.789 1.00 0.00 C ATOM 471 C ILE A 30 -6.914 6.637 -2.714 1.00 0.00 C ATOM 472 O ILE A 30 -6.623 7.737 -2.247 1.00 0.00 O ATOM 473 CB ILE A 30 -6.069 4.598 -1.413 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.448 3.582 -0.335 1.00 0.00 C ATOM 475 CG2 ILE A 30 -4.875 5.459 -0.996 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.439 2.433 -0.285 1.00 0.00 C ATOM 0 H ILE A 30 -8.025 3.717 -2.652 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.627 5.900 -0.854 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.766 4.034 -2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.491 4.076 0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.444 3.188 -0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.036 4.815 -0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.589 6.109 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.149 6.067 -0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.732 1.725 0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.416 1.926 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.448 2.828 -0.059 1.00 0.00 H new ATOM 488 N GLN A 31 -6.951 6.357 -4.008 1.00 0.00 N ATOM 489 CA GLN A 31 -6.638 7.369 -5.002 1.00 0.00 C ATOM 490 C GLN A 31 -7.676 8.492 -4.962 1.00 0.00 C ATOM 491 O GLN A 31 -7.322 9.666 -4.858 1.00 0.00 O ATOM 492 CB GLN A 31 -6.548 6.755 -6.401 1.00 0.00 C ATOM 493 CG GLN A 31 -6.605 7.839 -7.480 1.00 0.00 C ATOM 494 CD GLN A 31 -6.582 7.221 -8.879 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.163 6.180 -9.136 1.00 0.00 O ATOM 496 NE2 GLN A 31 -5.879 7.919 -9.767 1.00 0.00 N ATOM 0 H GLN A 31 -7.193 5.443 -4.391 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.663 7.794 -4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.620 6.191 -6.496 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.366 6.049 -6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.510 8.433 -7.356 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.760 8.517 -7.364 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.417 8.784 -9.485 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.802 7.590 -10.729 1.00 0.00 H new ATOM 505 N ASP A 32 -8.937 8.094 -5.046 1.00 0.00 N ATOM 506 CA ASP A 32 -10.029 9.052 -5.020 1.00 0.00 C ATOM 507 C ASP A 32 -10.002 9.813 -3.693 1.00 0.00 C ATOM 508 O ASP A 32 -10.395 10.976 -3.633 1.00 0.00 O ATOM 509 CB ASP A 32 -11.382 8.349 -5.136 1.00 0.00 C ATOM 510 CG ASP A 32 -12.361 8.987 -6.123 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.624 10.197 -5.958 1.00 0.00 O ATOM 512 OD2 ASP A 32 -12.823 8.250 -7.021 1.00 0.00 O ATOM 0 H ASP A 32 -9.227 7.120 -5.132 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.903 9.730 -5.864 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.212 7.314 -5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.847 8.325 -4.151 1.00 0.00 H new ATOM 517 N LYS A 33 -9.536 9.123 -2.662 1.00 0.00 N ATOM 518 CA LYS A 33 -9.454 9.719 -1.340 1.00 0.00 C ATOM 519 C LYS A 33 -8.259 10.674 -1.288 1.00 0.00 C ATOM 520 O LYS A 33 -8.433 11.890 -1.268 1.00 0.00 O ATOM 521 CB LYS A 33 -9.420 8.632 -0.263 1.00 0.00 C ATOM 522 CG LYS A 33 -10.172 9.079 0.992 1.00 0.00 C ATOM 523 CD LYS A 33 -9.202 9.570 2.068 1.00 0.00 C ATOM 524 CE LYS A 33 -9.952 10.246 3.216 1.00 0.00 C ATOM 525 NZ LYS A 33 -10.115 11.692 2.949 1.00 0.00 N ATOM 0 H LYS A 33 -9.212 8.157 -2.716 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.345 10.312 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.866 7.716 -0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.386 8.400 -0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.871 9.876 0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.762 8.249 1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.624 8.730 2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.492 10.272 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.930 9.781 3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.407 10.102 4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.626 12.135 3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.179 12.135 2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.654 11.824 2.070 1.00 0.00 H new ATOM 539 N GLU A 34 -7.073 10.084 -1.268 1.00 0.00 N ATOM 540 CA GLU A 34 -5.850 10.866 -1.218 1.00 0.00 C ATOM 541 C GLU A 34 -5.705 11.705 -2.490 1.00 0.00 C ATOM 542 O GLU A 34 -5.668 12.933 -2.427 1.00 0.00 O ATOM 543 CB GLU A 34 -4.630 9.965 -1.015 1.00 0.00 C ATOM 544 CG GLU A 34 -3.891 10.325 0.275 1.00 0.00 C ATOM 545 CD GLU A 34 -2.633 11.142 -0.023 1.00 0.00 C ATOM 546 OE1 GLU A 34 -2.798 12.283 -0.508 1.00 0.00 O ATOM 547 OE2 GLU A 34 -1.534 10.609 0.241 1.00 0.00 O ATOM 0 H GLU A 34 -6.933 9.074 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.908 11.541 -0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.946 8.922 -0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.955 10.064 -1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.551 10.893 0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.619 9.414 0.809 1.00 0.00 H new ATOM 554 N GLY A 35 -5.626 11.009 -3.615 1.00 0.00 N ATOM 555 CA GLY A 35 -5.487 11.674 -4.899 1.00 0.00 C ATOM 556 C GLY A 35 -4.333 11.075 -5.704 1.00 0.00 C ATOM 557 O GLY A 35 -4.131 11.429 -6.864 1.00 0.00 O ATOM 0 H GLY A 35 -5.656 9.991 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.415 11.581 -5.463 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.313 12.739 -4.744 1.00 0.00 H new ATOM 561 N ILE A 36 -3.605 10.178 -5.056 1.00 0.00 N ATOM 562 CA ILE A 36 -2.475 9.526 -5.697 1.00 0.00 C ATOM 563 C ILE A 36 -2.987 8.401 -6.600 1.00 0.00 C ATOM 564 O ILE A 36 -3.946 7.712 -6.256 1.00 0.00 O ATOM 565 CB ILE A 36 -1.459 9.062 -4.651 1.00 0.00 C ATOM 566 CG1 ILE A 36 -0.875 10.252 -3.889 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.369 8.200 -5.291 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.405 10.297 -2.454 1.00 0.00 C ATOM 0 H ILE A 36 -3.775 9.887 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.940 10.230 -6.335 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.978 8.438 -3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.213 10.182 -3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.129 11.178 -4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.340 7.883 -4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.823 7.322 -5.751 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.153 8.780 -6.052 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.974 11.153 -1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.491 10.391 -2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.128 9.380 -1.935 1.00 0.00 H new ATOM 580 N PRO A 37 -2.305 8.245 -7.766 1.00 0.00 N ATOM 581 CA PRO A 37 -2.680 7.216 -8.720 1.00 0.00 C ATOM 582 C PRO A 37 -2.237 5.833 -8.238 1.00 0.00 C ATOM 583 O PRO A 37 -1.285 5.715 -7.469 1.00 0.00 O ATOM 584 CB PRO A 37 -2.018 7.629 -10.025 1.00 0.00 C ATOM 585 CG PRO A 37 -0.924 8.613 -9.645 1.00 0.00 C ATOM 586 CD PRO A 37 -1.164 9.042 -8.207 1.00 0.00 C ATOM 0 HA PRO A 37 -3.760 7.132 -8.845 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.603 6.764 -10.543 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.739 8.089 -10.700 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.058 8.151 -9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.940 9.477 -10.309 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.287 8.855 -7.587 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.378 10.109 -8.143 1.00 0.00 H new ATOM 594 N PRO A 38 -2.970 4.794 -8.721 1.00 0.00 N ATOM 595 CA PRO A 38 -2.662 3.424 -8.347 1.00 0.00 C ATOM 596 C PRO A 38 -1.410 2.925 -9.072 1.00 0.00 C ATOM 597 O PRO A 38 -0.747 1.998 -8.608 1.00 0.00 O ATOM 598 CB PRO A 38 -3.909 2.631 -8.701 1.00 0.00 C ATOM 599 CG PRO A 38 -4.687 3.492 -9.681 1.00 0.00 C ATOM 600 CD PRO A 38 -4.104 4.895 -9.634 1.00 0.00 C ATOM 0 HA PRO A 38 -2.426 3.320 -7.288 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.648 1.671 -9.147 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.502 2.419 -7.812 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.616 3.083 -10.689 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.745 3.509 -9.418 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.788 5.226 -10.623 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.838 5.617 -9.276 1.00 0.00 H new ATOM 608 N ASP A 39 -1.125 3.561 -10.198 1.00 0.00 N ATOM 609 CA ASP A 39 0.035 3.194 -10.992 1.00 0.00 C ATOM 610 C ASP A 39 1.308 3.573 -10.232 1.00 0.00 C ATOM 611 O ASP A 39 2.257 2.791 -10.172 1.00 0.00 O ATOM 612 CB ASP A 39 0.045 3.935 -12.330 1.00 0.00 C ATOM 613 CG ASP A 39 -0.629 3.194 -13.486 1.00 0.00 C ATOM 614 OD1 ASP A 39 -1.404 2.259 -13.185 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.354 3.575 -14.643 1.00 0.00 O ATOM 0 H ASP A 39 -1.678 4.329 -10.580 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.009 2.120 -11.176 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.449 4.898 -12.198 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.079 4.142 -12.605 1.00 0.00 H new ATOM 620 N GLN A 40 1.289 4.773 -9.671 1.00 0.00 N ATOM 621 CA GLN A 40 2.430 5.265 -8.917 1.00 0.00 C ATOM 622 C GLN A 40 2.289 4.895 -7.439 1.00 0.00 C ATOM 623 O GLN A 40 2.932 5.498 -6.580 1.00 0.00 O ATOM 624 CB GLN A 40 2.591 6.776 -9.091 1.00 0.00 C ATOM 625 CG GLN A 40 2.579 7.162 -10.572 1.00 0.00 C ATOM 626 CD GLN A 40 3.686 6.434 -11.337 1.00 0.00 C ATOM 627 OE1 GLN A 40 3.486 5.379 -11.915 1.00 0.00 O ATOM 628 NE2 GLN A 40 4.861 7.056 -11.309 1.00 0.00 N ATOM 0 H GLN A 40 0.502 5.419 -9.723 1.00 0.00 H new ATOM 0 HA GLN A 40 3.330 4.790 -9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.785 7.294 -8.570 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.526 7.101 -8.634 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.610 6.918 -11.007 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.711 8.239 -10.672 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.959 7.938 -10.806 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.664 6.651 -11.791 1.00 0.00 H new ATOM 637 N GLN A 41 1.444 3.907 -7.187 1.00 0.00 N ATOM 638 CA GLN A 41 1.210 3.450 -5.827 1.00 0.00 C ATOM 639 C GLN A 41 2.136 2.278 -5.495 1.00 0.00 C ATOM 640 O GLN A 41 2.344 1.392 -6.323 1.00 0.00 O ATOM 641 CB GLN A 41 -0.257 3.065 -5.623 1.00 0.00 C ATOM 642 CG GLN A 41 -1.028 4.192 -4.934 1.00 0.00 C ATOM 643 CD GLN A 41 -2.536 3.945 -4.999 1.00 0.00 C ATOM 644 OE1 GLN A 41 -3.038 2.900 -4.618 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.230 4.961 -5.504 1.00 0.00 N ATOM 0 H GLN A 41 0.912 3.410 -7.901 1.00 0.00 H new ATOM 0 HA GLN A 41 1.434 4.270 -5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.716 2.842 -6.586 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.319 2.157 -5.023 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.713 4.269 -3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.791 5.143 -5.410 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.748 5.808 -5.804 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.244 4.893 -5.591 1.00 0.00 H new ATOM 654 N ARG A 42 2.667 2.311 -4.281 1.00 0.00 N ATOM 655 CA ARG A 42 3.566 1.263 -3.829 1.00 0.00 C ATOM 656 C ARG A 42 3.181 0.803 -2.421 1.00 0.00 C ATOM 657 O ARG A 42 3.740 1.279 -1.434 1.00 0.00 O ATOM 658 CB ARG A 42 5.017 1.747 -3.821 1.00 0.00 C ATOM 659 CG ARG A 42 5.985 0.577 -3.629 1.00 0.00 C ATOM 660 CD ARG A 42 7.155 0.667 -4.610 1.00 0.00 C ATOM 661 NE ARG A 42 8.309 -0.100 -4.092 1.00 0.00 N ATOM 662 CZ ARG A 42 9.510 -0.143 -4.685 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.722 0.538 -5.819 1.00 0.00 N ATOM 664 NH2 ARG A 42 10.500 -0.866 -4.144 1.00 0.00 N ATOM 0 H ARG A 42 2.492 3.047 -3.597 1.00 0.00 H new ATOM 0 HA ARG A 42 3.477 0.428 -4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.239 2.257 -4.758 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.157 2.474 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.362 0.577 -2.606 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.456 -0.365 -3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.856 0.277 -5.583 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.437 1.709 -4.758 1.00 0.00 H new ATOM 0 HE ARG A 42 8.183 -0.629 -3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.969 1.089 -6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.636 0.505 -6.270 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.340 -1.384 -3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.414 -0.898 -4.596 1.00 0.00 H new ATOM 678 N LEU A 43 2.227 -0.115 -2.373 1.00 0.00 N ATOM 679 CA LEU A 43 1.761 -0.643 -1.102 1.00 0.00 C ATOM 680 C LEU A 43 2.473 -1.965 -0.812 1.00 0.00 C ATOM 681 O LEU A 43 2.423 -2.891 -1.620 1.00 0.00 O ATOM 682 CB LEU A 43 0.235 -0.751 -1.095 1.00 0.00 C ATOM 683 CG LEU A 43 -0.507 0.165 -2.070 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.023 0.004 -1.929 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.068 1.620 -1.899 1.00 0.00 C ATOM 0 H LEU A 43 1.764 -0.507 -3.193 1.00 0.00 H new ATOM 0 HA LEU A 43 2.013 0.039 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.037 -1.783 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.120 -0.539 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.244 -0.133 -3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.526 0.666 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.300 -1.029 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.323 0.260 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.611 2.249 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.282 1.947 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.002 1.702 -2.089 1.00 0.00 H new ATOM 697 N ILE A 44 3.119 -2.013 0.343 1.00 0.00 N ATOM 698 CA ILE A 44 3.839 -3.207 0.750 1.00 0.00 C ATOM 699 C ILE A 44 3.100 -3.873 1.913 1.00 0.00 C ATOM 700 O ILE A 44 2.528 -3.190 2.761 1.00 0.00 O ATOM 701 CB ILE A 44 5.300 -2.871 1.061 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.994 -2.260 -0.158 1.00 0.00 C ATOM 703 CG2 ILE A 44 6.044 -4.100 1.588 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.665 -0.934 0.203 1.00 0.00 C ATOM 0 H ILE A 44 3.159 -1.243 1.011 1.00 0.00 H new ATOM 0 HA ILE A 44 3.868 -3.930 -0.065 1.00 0.00 H new ATOM 0 HB ILE A 44 5.317 -2.120 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.739 -2.956 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.266 -2.099 -0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.079 -3.835 1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.564 -4.452 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.019 -4.890 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.151 -0.520 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.913 -0.233 0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.409 -1.103 0.981 1.00 0.00 H new ATOM 716 N PHE A 45 3.136 -5.198 1.914 1.00 0.00 N ATOM 717 CA PHE A 45 2.477 -5.964 2.958 1.00 0.00 C ATOM 718 C PHE A 45 3.055 -7.376 3.050 1.00 0.00 C ATOM 719 O PHE A 45 3.093 -8.101 2.057 1.00 0.00 O ATOM 720 CB PHE A 45 0.997 -6.054 2.579 1.00 0.00 C ATOM 721 CG PHE A 45 0.065 -6.301 3.767 1.00 0.00 C ATOM 722 CD1 PHE A 45 -0.220 -5.288 4.628 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.479 -7.533 3.960 1.00 0.00 C ATOM 724 CE1 PHE A 45 -1.086 -5.517 5.731 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.345 -7.761 5.062 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.630 -6.749 5.925 1.00 0.00 C ATOM 0 H PHE A 45 3.611 -5.760 1.208 1.00 0.00 H new ATOM 0 HA PHE A 45 2.621 -5.479 3.923 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.702 -5.128 2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.866 -6.858 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.212 -4.310 4.474 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.252 -8.337 3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.312 -4.713 6.416 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.778 -8.739 5.215 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.288 -6.923 6.764 1.00 0.00 H new ATOM 736 N ALA A 46 3.492 -7.725 4.251 1.00 0.00 N ATOM 737 CA ALA A 46 4.067 -9.039 4.486 1.00 0.00 C ATOM 738 C ALA A 46 5.342 -9.189 3.654 1.00 0.00 C ATOM 739 O ALA A 46 5.788 -10.304 3.390 1.00 0.00 O ATOM 740 CB ALA A 46 3.029 -10.116 4.161 1.00 0.00 C ATOM 0 H ALA A 46 3.460 -7.121 5.072 1.00 0.00 H new ATOM 0 HA ALA A 46 4.341 -9.156 5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.460 -11.102 4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.155 -9.983 4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.732 -10.031 3.116 1.00 0.00 H new ATOM 746 N GLY A 47 5.894 -8.048 3.265 1.00 0.00 N ATOM 747 CA GLY A 47 7.109 -8.038 2.469 1.00 0.00 C ATOM 748 C GLY A 47 6.790 -8.169 0.978 1.00 0.00 C ATOM 749 O GLY A 47 7.678 -8.046 0.136 1.00 0.00 O ATOM 0 H GLY A 47 5.522 -7.125 3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.657 -7.113 2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.758 -8.857 2.779 1.00 0.00 H new ATOM 753 N LYS A 48 5.519 -8.415 0.698 1.00 0.00 N ATOM 754 CA LYS A 48 5.070 -8.563 -0.677 1.00 0.00 C ATOM 755 C LYS A 48 4.218 -7.353 -1.063 1.00 0.00 C ATOM 756 O LYS A 48 3.499 -6.804 -0.229 1.00 0.00 O ATOM 757 CB LYS A 48 4.359 -9.904 -0.867 1.00 0.00 C ATOM 758 CG LYS A 48 4.563 -10.436 -2.287 1.00 0.00 C ATOM 759 CD LYS A 48 3.396 -11.331 -2.710 1.00 0.00 C ATOM 760 CE LYS A 48 3.901 -12.656 -3.284 1.00 0.00 C ATOM 761 NZ LYS A 48 3.180 -13.795 -2.672 1.00 0.00 N ATOM 0 H LYS A 48 4.785 -8.516 1.399 1.00 0.00 H new ATOM 0 HA LYS A 48 5.922 -8.582 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.740 -10.627 -0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.294 -9.786 -0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.656 -9.601 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.495 -10.999 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.752 -11.524 -1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.789 -10.816 -3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.761 -12.668 -4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.971 -12.754 -3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.535 -14.686 -3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.335 -13.792 -1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.163 -13.708 -2.869 1.00 0.00 H new ATOM 775 N GLN A 49 4.324 -6.974 -2.328 1.00 0.00 N ATOM 776 CA GLN A 49 3.572 -5.839 -2.835 1.00 0.00 C ATOM 777 C GLN A 49 2.125 -6.247 -3.119 1.00 0.00 C ATOM 778 O GLN A 49 1.869 -7.353 -3.590 1.00 0.00 O ATOM 779 CB GLN A 49 4.234 -5.257 -4.086 1.00 0.00 C ATOM 780 CG GLN A 49 4.266 -6.285 -5.218 1.00 0.00 C ATOM 781 CD GLN A 49 5.588 -7.055 -5.222 1.00 0.00 C ATOM 782 OE1 GLN A 49 6.578 -6.642 -4.638 1.00 0.00 O ATOM 783 NE2 GLN A 49 5.551 -8.192 -5.911 1.00 0.00 N ATOM 0 H GLN A 49 4.920 -7.433 -3.017 1.00 0.00 H new ATOM 0 HA GLN A 49 3.567 -5.060 -2.072 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.690 -4.370 -4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.250 -4.939 -3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.436 -6.982 -5.105 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.131 -5.781 -6.175 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.690 -8.479 -6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.384 -8.777 -5.974 1.00 0.00 H new ATOM 792 N LEU A 50 1.216 -5.329 -2.822 1.00 0.00 N ATOM 793 CA LEU A 50 -0.198 -5.579 -3.040 1.00 0.00 C ATOM 794 C LEU A 50 -0.477 -5.635 -4.544 1.00 0.00 C ATOM 795 O LEU A 50 -0.395 -4.618 -5.231 1.00 0.00 O ATOM 796 CB LEU A 50 -1.046 -4.546 -2.296 1.00 0.00 C ATOM 797 CG LEU A 50 -0.647 -4.270 -0.845 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.640 -3.318 -0.174 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.486 -5.575 -0.063 1.00 0.00 C ATOM 0 H LEU A 50 1.432 -4.411 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.481 -6.547 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.006 -3.607 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.084 -4.879 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 50 0.323 -3.774 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.333 -3.139 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.661 -2.373 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.635 -3.764 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.202 -5.350 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.429 -6.121 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.288 -6.185 -0.528 1.00 0.00 H new ATOM 811 N GLU A 51 -0.798 -6.833 -5.009 1.00 0.00 N ATOM 812 CA GLU A 51 -1.090 -7.033 -6.419 1.00 0.00 C ATOM 813 C GLU A 51 -2.578 -6.812 -6.691 1.00 0.00 C ATOM 814 O GLU A 51 -3.428 -7.426 -6.048 1.00 0.00 O ATOM 815 CB GLU A 51 -0.649 -8.426 -6.876 1.00 0.00 C ATOM 816 CG GLU A 51 0.872 -8.569 -6.810 1.00 0.00 C ATOM 817 CD GLU A 51 1.271 -9.857 -6.088 1.00 0.00 C ATOM 818 OE1 GLU A 51 0.464 -10.811 -6.140 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.374 -9.860 -5.499 1.00 0.00 O ATOM 0 H GLU A 51 -0.862 -7.674 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.525 -6.300 -6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.117 -9.184 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.990 -8.603 -7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.285 -8.571 -7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.299 -7.710 -6.292 1.00 0.00 H new ATOM 826 N ASP A 52 -2.849 -5.933 -7.644 1.00 0.00 N ATOM 827 CA ASP A 52 -4.221 -5.624 -8.009 1.00 0.00 C ATOM 828 C ASP A 52 -5.004 -6.926 -8.189 1.00 0.00 C ATOM 829 O ASP A 52 -6.074 -7.096 -7.610 1.00 0.00 O ATOM 830 CB ASP A 52 -4.279 -4.851 -9.328 1.00 0.00 C ATOM 831 CG ASP A 52 -3.239 -5.270 -10.370 1.00 0.00 C ATOM 832 OD1 ASP A 52 -2.125 -4.704 -10.320 1.00 0.00 O ATOM 833 OD2 ASP A 52 -3.581 -6.147 -11.192 1.00 0.00 O ATOM 0 H ASP A 52 -2.142 -5.425 -8.175 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.651 -5.015 -7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.273 -4.972 -9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.151 -3.790 -9.116 1.00 0.00 H new ATOM 838 N GLY A 53 -4.438 -7.812 -8.996 1.00 0.00 N ATOM 839 CA GLY A 53 -5.069 -9.093 -9.260 1.00 0.00 C ATOM 840 C GLY A 53 -5.324 -9.857 -7.959 1.00 0.00 C ATOM 841 O GLY A 53 -6.142 -10.775 -7.923 1.00 0.00 O ATOM 0 H GLY A 53 -3.549 -7.667 -9.475 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.011 -8.937 -9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.433 -9.687 -9.916 1.00 0.00 H new ATOM 845 N ARG A 54 -4.609 -9.449 -6.921 1.00 0.00 N ATOM 846 CA ARG A 54 -4.747 -10.083 -5.621 1.00 0.00 C ATOM 847 C ARG A 54 -5.704 -9.279 -4.737 1.00 0.00 C ATOM 848 O ARG A 54 -5.692 -8.050 -4.761 1.00 0.00 O ATOM 849 CB ARG A 54 -3.393 -10.201 -4.918 1.00 0.00 C ATOM 850 CG ARG A 54 -2.656 -11.466 -5.359 1.00 0.00 C ATOM 851 CD ARG A 54 -2.796 -12.576 -4.314 1.00 0.00 C ATOM 852 NE ARG A 54 -2.141 -13.812 -4.797 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.718 -14.800 -3.998 1.00 0.00 C ATOM 854 NH1 ARG A 54 -1.881 -14.703 -2.671 1.00 0.00 N ATOM 855 NH2 ARG A 54 -1.134 -15.885 -4.524 1.00 0.00 N ATOM 0 H ARG A 54 -3.932 -8.687 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.148 -11.084 -5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.785 -9.325 -5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.540 -10.219 -3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.054 -11.809 -6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.601 -11.240 -5.516 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.346 -12.260 -3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.850 -12.768 -4.114 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.003 -13.918 -5.802 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.327 -13.877 -2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.559 -15.455 -2.061 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.011 -15.959 -5.534 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.812 -16.637 -3.915 1.00 0.00 H new ATOM 869 N THR A 55 -6.512 -10.007 -3.979 1.00 0.00 N ATOM 870 CA THR A 55 -7.472 -9.377 -3.090 1.00 0.00 C ATOM 871 C THR A 55 -6.921 -9.317 -1.665 1.00 0.00 C ATOM 872 O THR A 55 -5.918 -9.957 -1.356 1.00 0.00 O ATOM 873 CB THR A 55 -8.792 -10.145 -3.200 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.399 -11.515 -3.168 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.454 -9.979 -4.569 1.00 0.00 C ATOM 0 H THR A 55 -6.521 -11.027 -3.963 1.00 0.00 H new ATOM 0 HA THR A 55 -7.656 -8.342 -3.376 1.00 0.00 H new ATOM 0 HB THR A 55 -9.476 -9.804 -2.423 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.194 -12.085 -3.233 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.386 -10.544 -4.593 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.664 -8.924 -4.746 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.784 -10.351 -5.344 1.00 0.00 H new ATOM 883 N LEU A 56 -7.601 -8.540 -0.834 1.00 0.00 N ATOM 884 CA LEU A 56 -7.191 -8.388 0.552 1.00 0.00 C ATOM 885 C LEU A 56 -7.262 -9.746 1.253 1.00 0.00 C ATOM 886 O LEU A 56 -6.345 -10.120 1.983 1.00 0.00 O ATOM 887 CB LEU A 56 -8.019 -7.299 1.239 1.00 0.00 C ATOM 888 CG LEU A 56 -7.928 -5.900 0.623 1.00 0.00 C ATOM 889 CD1 LEU A 56 -9.167 -5.070 0.966 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.634 -5.200 1.040 1.00 0.00 C ATOM 0 H LEU A 56 -8.433 -8.009 -1.094 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.155 -8.053 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.064 -7.609 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.708 -7.237 2.282 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.900 -6.004 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.078 -4.081 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.056 -5.566 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.250 -4.971 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.595 -4.209 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.605 -5.106 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.779 -5.786 0.703 1.00 0.00 H new ATOM 902 N SER A 57 -8.358 -10.449 1.005 1.00 0.00 N ATOM 903 CA SER A 57 -8.559 -11.757 1.603 1.00 0.00 C ATOM 904 C SER A 57 -7.461 -12.717 1.143 1.00 0.00 C ATOM 905 O SER A 57 -6.998 -13.554 1.917 1.00 0.00 O ATOM 906 CB SER A 57 -9.938 -12.319 1.247 1.00 0.00 C ATOM 907 OG SER A 57 -10.176 -13.580 1.865 1.00 0.00 O ATOM 0 H SER A 57 -9.116 -10.137 0.398 1.00 0.00 H new ATOM 0 HA SER A 57 -8.508 -11.649 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.708 -11.613 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.018 -12.425 0.165 1.00 0.00 H new ATOM 0 HG SER A 57 -11.066 -13.904 1.615 1.00 0.00 H new ATOM 913 N ASP A 58 -7.075 -12.566 -0.116 1.00 0.00 N ATOM 914 CA ASP A 58 -6.040 -13.409 -0.688 1.00 0.00 C ATOM 915 C ASP A 58 -4.724 -13.171 0.057 1.00 0.00 C ATOM 916 O ASP A 58 -3.820 -14.004 0.009 1.00 0.00 O ATOM 917 CB ASP A 58 -5.813 -13.078 -2.165 1.00 0.00 C ATOM 918 CG ASP A 58 -6.312 -14.137 -3.149 1.00 0.00 C ATOM 919 OD1 ASP A 58 -7.378 -14.722 -2.861 1.00 0.00 O ATOM 920 OD2 ASP A 58 -5.616 -14.336 -4.169 1.00 0.00 O ATOM 0 H ASP A 58 -7.461 -11.872 -0.756 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.362 -14.446 -0.596 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.307 -12.133 -2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.746 -12.926 -2.328 1.00 0.00 H new ATOM 925 N TYR A 59 -4.660 -12.031 0.728 1.00 0.00 N ATOM 926 CA TYR A 59 -3.470 -11.673 1.483 1.00 0.00 C ATOM 927 C TYR A 59 -3.646 -11.994 2.969 1.00 0.00 C ATOM 928 O TYR A 59 -2.708 -11.862 3.751 1.00 0.00 O ATOM 929 CB TYR A 59 -3.304 -10.161 1.317 1.00 0.00 C ATOM 930 CG TYR A 59 -2.481 -9.757 0.093 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.164 -10.155 -0.015 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.055 -8.992 -0.903 1.00 0.00 C ATOM 933 CE1 TYR A 59 -0.389 -9.774 -1.167 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.279 -8.612 -2.055 1.00 0.00 C ATOM 935 CZ TYR A 59 -0.984 -9.022 -2.130 1.00 0.00 C ATOM 936 OH TYR A 59 -0.252 -8.662 -3.219 1.00 0.00 O ATOM 0 H TYR A 59 -5.412 -11.343 0.765 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.605 -12.231 1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.291 -9.703 1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.829 -9.758 2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.715 -10.752 0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.085 -8.679 -0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.642 -10.079 -1.264 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.715 -8.015 -2.842 1.00 0.00 H new ATOM 0 HH TYR A 59 0.603 -8.282 -2.927 1.00 0.00 H new ATOM 946 N ASN A 60 -4.857 -12.410 3.312 1.00 0.00 N ATOM 947 CA ASN A 60 -5.168 -12.751 4.690 1.00 0.00 C ATOM 948 C ASN A 60 -4.873 -11.549 5.587 1.00 0.00 C ATOM 949 O ASN A 60 -4.126 -11.663 6.559 1.00 0.00 O ATOM 950 CB ASN A 60 -4.312 -13.925 5.174 1.00 0.00 C ATOM 951 CG ASN A 60 -4.989 -14.655 6.335 1.00 0.00 C ATOM 952 OD1 ASN A 60 -6.161 -14.469 6.620 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.189 -15.493 6.987 1.00 0.00 N ATOM 0 H ASN A 60 -5.634 -12.518 2.660 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.221 -13.028 4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.143 -14.620 4.352 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.334 -13.561 5.489 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.547 -16.028 7.778 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.217 -15.601 6.696 1.00 0.00 H new ATOM 960 N ILE A 61 -5.474 -10.423 5.232 1.00 0.00 N ATOM 961 CA ILE A 61 -5.285 -9.200 5.993 1.00 0.00 C ATOM 962 C ILE A 61 -6.196 -9.223 7.221 1.00 0.00 C ATOM 963 O ILE A 61 -7.345 -9.656 7.139 1.00 0.00 O ATOM 964 CB ILE A 61 -5.489 -7.976 5.099 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.351 -7.840 4.085 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.663 -6.708 5.938 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.861 -7.265 2.763 1.00 0.00 C ATOM 0 H ILE A 61 -6.093 -10.332 4.426 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.260 -9.133 6.357 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.409 -8.117 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.573 -7.194 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.896 -8.815 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.806 -5.852 5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.533 -6.817 6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.774 -6.551 6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.032 -7.179 2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.622 -7.926 2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.293 -6.280 2.937 1.00 0.00 H new ATOM 979 N GLN A 62 -5.649 -8.754 8.334 1.00 0.00 N ATOM 980 CA GLN A 62 -6.399 -8.715 9.578 1.00 0.00 C ATOM 981 C GLN A 62 -7.044 -7.341 9.767 1.00 0.00 C ATOM 982 O GLN A 62 -6.584 -6.352 9.198 1.00 0.00 O ATOM 983 CB GLN A 62 -5.504 -9.069 10.767 1.00 0.00 C ATOM 984 CG GLN A 62 -4.640 -10.294 10.459 1.00 0.00 C ATOM 985 CD GLN A 62 -5.085 -11.502 11.286 1.00 0.00 C ATOM 986 OE1 GLN A 62 -6.137 -12.080 11.071 1.00 0.00 O ATOM 987 NE2 GLN A 62 -4.227 -11.848 12.241 1.00 0.00 N ATOM 0 H GLN A 62 -4.695 -8.398 8.400 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.192 -9.461 9.526 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.864 -8.221 11.010 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.120 -9.266 11.644 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.706 -10.532 9.397 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.595 -10.069 10.671 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.363 -11.320 12.366 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.432 -12.641 12.848 1.00 0.00 H new ATOM 996 N LYS A 63 -8.100 -7.323 10.566 1.00 0.00 N ATOM 997 CA LYS A 63 -8.814 -6.087 10.837 1.00 0.00 C ATOM 998 C LYS A 63 -7.815 -5.012 11.272 1.00 0.00 C ATOM 999 O LYS A 63 -6.986 -5.249 12.150 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.938 -6.327 11.846 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.415 -7.051 13.088 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.389 -8.141 13.539 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.639 -9.399 13.981 1.00 0.00 C ATOM 1004 NZ LYS A 63 -9.159 -10.158 12.803 1.00 0.00 N ATOM 0 H LYS A 63 -8.479 -8.146 11.035 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.302 -5.723 9.933 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.381 -5.374 12.136 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.728 -6.918 11.382 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.443 -7.494 12.872 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.267 -6.334 13.896 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.000 -7.770 14.362 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.069 -8.387 12.723 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.794 -9.123 14.612 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.295 -10.028 14.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.820 -11.093 13.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.939 -10.276 12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.381 -9.638 12.349 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.927 -3.854 10.638 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.045 -2.742 10.948 1.00 0.00 C ATOM 1020 C GLU A 64 -5.582 -3.175 10.822 1.00 0.00 C ATOM 1021 O GLU A 64 -4.802 -3.019 11.760 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.333 -2.187 12.345 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.726 -1.556 12.407 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.723 -2.494 13.090 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.734 -2.498 14.340 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.451 -3.188 12.347 1.00 0.00 O ATOM 0 H GLU A 64 -8.616 -3.662 9.911 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.232 -1.944 10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.259 -2.988 13.081 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.581 -1.443 12.607 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.678 -0.612 12.951 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.070 -1.326 11.399 1.00 0.00 H new ATOM 1033 N SER A 65 -5.255 -3.707 9.654 1.00 0.00 N ATOM 1034 CA SER A 65 -3.901 -4.163 9.393 1.00 0.00 C ATOM 1035 C SER A 65 -2.982 -2.963 9.155 1.00 0.00 C ATOM 1036 O SER A 65 -3.454 -1.844 8.959 1.00 0.00 O ATOM 1037 CB SER A 65 -3.860 -5.108 8.191 1.00 0.00 C ATOM 1038 OG SER A 65 -4.283 -6.426 8.533 1.00 0.00 O ATOM 0 H SER A 65 -5.905 -3.832 8.878 1.00 0.00 H new ATOM 0 HA SER A 65 -3.551 -4.714 10.266 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.499 -4.716 7.400 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.846 -5.145 7.793 1.00 0.00 H new ATOM 0 HG SER A 65 -5.055 -6.376 9.135 1.00 0.00 H new ATOM 1044 N THR A 66 -1.686 -3.236 9.178 1.00 0.00 N ATOM 1045 CA THR A 66 -0.697 -2.193 8.968 1.00 0.00 C ATOM 1046 C THR A 66 -0.118 -2.284 7.554 1.00 0.00 C ATOM 1047 O THR A 66 0.679 -3.175 7.263 1.00 0.00 O ATOM 1048 CB THR A 66 0.362 -2.315 10.067 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.249 -1.713 11.205 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.590 -1.444 9.797 1.00 0.00 C ATOM 0 H THR A 66 -1.298 -4.165 9.339 1.00 0.00 H new ATOM 0 HA THR A 66 -1.147 -1.203 9.039 1.00 0.00 H new ATOM 0 HB THR A 66 0.671 -3.356 10.160 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.368 -1.750 11.965 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.309 -1.568 10.607 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.049 -1.744 8.855 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.288 -0.398 9.737 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.541 -1.350 6.715 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.075 -1.314 5.339 1.00 0.00 C ATOM 1060 C LEU A 67 0.858 -0.116 5.153 1.00 0.00 C ATOM 1061 O LEU A 67 0.658 0.932 5.766 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.260 -1.328 4.372 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.221 -2.512 4.505 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.156 -2.327 5.701 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.992 -2.741 3.203 1.00 0.00 C ATOM 0 H LEU A 67 -1.201 -0.613 6.961 1.00 0.00 H new ATOM 0 HA LEU A 67 0.504 -2.208 5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.827 -0.408 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.872 -1.313 3.353 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.633 -3.410 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.828 -3.182 5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.567 -2.251 6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.740 -1.416 5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.668 -3.588 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.569 -1.849 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.290 -2.950 2.396 1.00 0.00 H new ATOM 1077 N HIS A 68 1.856 -0.310 4.304 1.00 0.00 N ATOM 1078 CA HIS A 68 2.819 0.743 4.028 1.00 0.00 C ATOM 1079 C HIS A 68 2.572 1.312 2.629 1.00 0.00 C ATOM 1080 O HIS A 68 2.834 0.646 1.630 1.00 0.00 O ATOM 1081 CB HIS A 68 4.249 0.232 4.217 1.00 0.00 C ATOM 1082 CG HIS A 68 4.495 -0.425 5.554 1.00 0.00 C ATOM 1083 ND1 HIS A 68 5.361 -1.492 5.716 1.00 0.00 N ATOM 1084 CD2 HIS A 68 3.982 -0.155 6.788 1.00 0.00 C ATOM 1085 CE1 HIS A 68 5.360 -1.841 6.994 1.00 0.00 C ATOM 1086 NE2 HIS A 68 4.503 -1.011 7.656 1.00 0.00 N ATOM 0 H HIS A 68 2.019 -1.180 3.798 1.00 0.00 H new ATOM 0 HA HIS A 68 2.688 1.557 4.741 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.476 -0.482 3.426 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.940 1.067 4.101 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.271 0.625 7.019 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.936 -2.641 7.434 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.297 -1.044 8.654 1.00 0.00 H new ATOM 1094 N LEU A 69 2.071 2.538 2.605 1.00 0.00 N ATOM 1095 CA LEU A 69 1.786 3.204 1.345 1.00 0.00 C ATOM 1096 C LEU A 69 2.987 4.062 0.943 1.00 0.00 C ATOM 1097 O LEU A 69 3.291 5.057 1.599 1.00 0.00 O ATOM 1098 CB LEU A 69 0.474 3.987 1.438 1.00 0.00 C ATOM 1099 CG LEU A 69 0.285 5.104 0.410 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.511 4.584 -1.011 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -1.084 5.769 0.567 1.00 0.00 C ATOM 0 H LEU A 69 1.855 3.087 3.437 1.00 0.00 H new ATOM 0 HA LEU A 69 1.638 2.471 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.353 3.284 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.404 4.422 2.435 1.00 0.00 H new ATOM 0 HG LEU A 69 1.037 5.871 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.371 5.398 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.526 4.196 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.202 3.788 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.192 6.559 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.868 5.026 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.168 6.196 1.566 1.00 0.00 H new ATOM 1113 N VAL A 70 3.638 3.644 -0.133 1.00 0.00 N ATOM 1114 CA VAL A 70 4.800 4.361 -0.631 1.00 0.00 C ATOM 1115 C VAL A 70 4.479 4.951 -2.005 1.00 0.00 C ATOM 1116 O VAL A 70 3.881 4.284 -2.847 1.00 0.00 O ATOM 1117 CB VAL A 70 6.019 3.437 -0.646 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.069 3.930 -1.643 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.616 3.294 0.755 1.00 0.00 C ATOM 0 H VAL A 70 3.383 2.818 -0.674 1.00 0.00 H new ATOM 0 HA VAL A 70 5.048 5.192 0.029 1.00 0.00 H new ATOM 0 HB VAL A 70 5.688 2.451 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.925 3.255 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.637 3.955 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.394 4.932 -1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.481 2.632 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.925 4.273 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.868 2.875 1.428 1.00 0.00 H new