USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 627 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 173:sc= 0 (180deg=-0.0338) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.281 (180deg=-0.413) USER MOD Single : A 2 GLN : amide:sc= -1.65 X(o=-1.7,f=-1.6) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -50:sc= -0.256 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 -111:sc= 0.667 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 25 ASN : amide:sc= -0.161 K(o=-0.16,f=-0.9!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.04 (180deg=0.545) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -0.0063 (180deg=-0.139) USER MOD Single : A 31 GLN : amide:sc=-0.00778 X(o=-0.0078,f=-0.07) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.65 K(o=-1.7,f=-2.9!) USER MOD Single : A 41 GLN : amide:sc= -6.16! C(o=-6.2!,f=-9.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.228 K(o=-0.23,f=-2.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.791 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= -1.15 USER MOD Single : A 60 ASN : amide:sc= -0.788 K(o=-0.79,f=-2) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 34:sc= -2.89 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.129 -5.290 5.469 1.00 0.00 N ATOM 2 CA MET A 1 -12.832 -4.720 6.772 1.00 0.00 C ATOM 3 C MET A 1 -12.038 -3.420 6.634 1.00 0.00 C ATOM 4 O MET A 1 -11.831 -2.930 5.524 1.00 0.00 O ATOM 5 CB MET A 1 -12.026 -5.724 7.599 1.00 0.00 C ATOM 6 CG MET A 1 -10.690 -6.042 6.924 1.00 0.00 C ATOM 7 SD MET A 1 -9.868 -7.366 7.793 1.00 0.00 S ATOM 8 CE MET A 1 -10.692 -8.773 7.067 1.00 0.00 C ATOM 0 H1 MET A 1 -14.159 -5.374 5.353 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.746 -4.673 4.725 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.694 -6.232 5.395 1.00 0.00 H new ATOM 0 HA MET A 1 -13.775 -4.498 7.272 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.847 -5.320 8.595 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.601 -6.641 7.726 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.857 -6.326 5.885 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.058 -5.154 6.914 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.212 -9.691 7.407 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.739 -8.777 7.369 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.628 -8.711 5.981 1.00 0.00 H new ATOM 18 N GLN A 2 -11.615 -2.897 7.775 1.00 0.00 N ATOM 19 CA GLN A 2 -10.849 -1.662 7.796 1.00 0.00 C ATOM 20 C GLN A 2 -9.351 -1.967 7.741 1.00 0.00 C ATOM 21 O GLN A 2 -8.913 -3.027 8.188 1.00 0.00 O ATOM 22 CB GLN A 2 -11.194 -0.823 9.027 1.00 0.00 C ATOM 23 CG GLN A 2 -10.354 0.455 9.072 1.00 0.00 C ATOM 24 CD GLN A 2 -11.072 1.555 9.856 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.777 2.386 9.306 1.00 0.00 O ATOM 26 NE2 GLN A 2 -10.855 1.516 11.167 1.00 0.00 N ATOM 0 H GLN A 2 -11.788 -3.306 8.693 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.114 -1.078 6.915 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.253 -0.566 9.011 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.021 -1.408 9.930 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.389 0.244 9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.153 0.798 8.057 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.254 0.793 11.563 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.290 2.209 11.777 1.00 0.00 H new ATOM 35 N ILE A 3 -8.606 -1.019 7.192 1.00 0.00 N ATOM 36 CA ILE A 3 -7.166 -1.173 7.074 1.00 0.00 C ATOM 37 C ILE A 3 -6.486 0.154 7.414 1.00 0.00 C ATOM 38 O ILE A 3 -7.068 1.221 7.224 1.00 0.00 O ATOM 39 CB ILE A 3 -6.797 -1.716 5.691 1.00 0.00 C ATOM 40 CG1 ILE A 3 -7.194 -0.731 4.591 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.405 -3.103 5.467 1.00 0.00 C ATOM 42 CD1 ILE A 3 -6.141 0.368 4.433 1.00 0.00 C ATOM 0 H ILE A 3 -8.973 -0.141 6.824 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.802 -1.911 7.789 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.714 -1.828 5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.314 -1.263 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.159 -0.284 4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.128 -3.466 4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.030 -3.791 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.491 -3.040 5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.448 1.055 3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.041 0.914 5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.183 -0.081 4.171 1.00 0.00 H new ATOM 54 N PHE A 4 -5.263 0.045 7.913 1.00 0.00 N ATOM 55 CA PHE A 4 -4.497 1.224 8.281 1.00 0.00 C ATOM 56 C PHE A 4 -3.205 1.315 7.468 1.00 0.00 C ATOM 57 O PHE A 4 -2.223 0.644 7.779 1.00 0.00 O ATOM 58 CB PHE A 4 -4.144 1.082 9.764 1.00 0.00 C ATOM 59 CG PHE A 4 -5.343 1.214 10.705 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.381 0.339 10.612 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.371 2.207 11.634 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.493 0.462 11.486 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.484 2.330 12.508 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.521 1.455 12.415 1.00 0.00 C ATOM 0 H PHE A 4 -4.784 -0.841 8.071 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.081 2.123 8.085 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.675 0.111 9.924 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.405 1.840 10.025 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.359 -0.449 9.874 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.547 2.902 11.707 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.317 -0.233 11.413 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.507 3.118 13.246 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.367 1.549 13.079 1.00 0.00 H new ATOM 74 N VAL A 5 -3.248 2.152 6.441 1.00 0.00 N ATOM 75 CA VAL A 5 -2.093 2.340 5.580 1.00 0.00 C ATOM 76 C VAL A 5 -1.244 3.494 6.118 1.00 0.00 C ATOM 77 O VAL A 5 -1.774 4.446 6.688 1.00 0.00 O ATOM 78 CB VAL A 5 -2.547 2.555 4.135 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.752 4.042 3.840 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.555 1.934 3.151 1.00 0.00 C ATOM 0 H VAL A 5 -4.065 2.707 6.186 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.467 1.448 5.580 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.506 2.052 4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.074 4.167 2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.513 4.444 4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.815 4.576 3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.901 2.101 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.576 2.395 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.480 0.863 3.338 1.00 0.00 H new ATOM 90 N LYS A 6 0.060 3.370 5.918 1.00 0.00 N ATOM 91 CA LYS A 6 0.988 4.391 6.376 1.00 0.00 C ATOM 92 C LYS A 6 1.502 5.182 5.172 1.00 0.00 C ATOM 93 O LYS A 6 1.697 4.623 4.093 1.00 0.00 O ATOM 94 CB LYS A 6 2.098 3.765 7.221 1.00 0.00 C ATOM 95 CG LYS A 6 1.838 3.978 8.714 1.00 0.00 C ATOM 96 CD LYS A 6 2.442 2.844 9.544 1.00 0.00 C ATOM 97 CE LYS A 6 2.654 3.279 10.995 1.00 0.00 C ATOM 98 NZ LYS A 6 3.839 2.604 11.571 1.00 0.00 N ATOM 0 H LYS A 6 0.496 2.578 5.445 1.00 0.00 H new ATOM 0 HA LYS A 6 0.483 5.100 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.164 2.698 7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.058 4.204 6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.265 4.930 9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.765 4.034 8.895 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.784 1.976 9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.394 2.538 9.110 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.786 4.360 11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.769 3.040 11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.968 2.911 12.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.699 1.574 11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.684 2.853 11.017 1.00 0.00 H new ATOM 112 N THR A 7 1.710 6.471 5.396 1.00 0.00 N ATOM 113 CA THR A 7 2.200 7.345 4.343 1.00 0.00 C ATOM 114 C THR A 7 3.705 7.570 4.494 1.00 0.00 C ATOM 115 O THR A 7 4.283 7.254 5.533 1.00 0.00 O ATOM 116 CB THR A 7 1.384 8.638 4.386 1.00 0.00 C ATOM 117 OG1 THR A 7 0.070 8.210 4.733 1.00 0.00 O ATOM 118 CG2 THR A 7 1.216 9.271 3.003 1.00 0.00 C ATOM 0 H THR A 7 1.548 6.932 6.292 1.00 0.00 H new ATOM 0 HA THR A 7 2.069 6.893 3.360 1.00 0.00 H new ATOM 0 HB THR A 7 1.868 9.349 5.055 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.200 7.474 4.145 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.629 10.186 3.090 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.196 9.507 2.589 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.702 8.572 2.343 1.00 0.00 H new ATOM 126 N LEU A 8 4.298 8.116 3.442 1.00 0.00 N ATOM 127 CA LEU A 8 5.725 8.386 3.444 1.00 0.00 C ATOM 128 C LEU A 8 6.077 9.234 4.668 1.00 0.00 C ATOM 129 O LEU A 8 7.211 9.203 5.144 1.00 0.00 O ATOM 130 CB LEU A 8 6.152 9.016 2.116 1.00 0.00 C ATOM 131 CG LEU A 8 6.116 10.545 2.057 1.00 0.00 C ATOM 132 CD1 LEU A 8 4.719 11.073 2.392 1.00 0.00 C ATOM 133 CD2 LEU A 8 7.191 11.155 2.957 1.00 0.00 C ATOM 0 H LEU A 8 3.815 8.379 2.583 1.00 0.00 H new ATOM 0 HA LEU A 8 6.289 7.457 3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.166 8.687 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.508 8.626 1.328 1.00 0.00 H new ATOM 0 HG LEU A 8 6.341 10.853 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.720 12.162 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.999 10.678 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.441 10.755 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.143 12.242 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.024 10.842 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.174 10.816 2.630 1.00 0.00 H new ATOM 145 N THR A 9 5.084 9.971 5.143 1.00 0.00 N ATOM 146 CA THR A 9 5.275 10.826 6.303 1.00 0.00 C ATOM 147 C THR A 9 4.735 10.144 7.562 1.00 0.00 C ATOM 148 O THR A 9 4.064 10.777 8.375 1.00 0.00 O ATOM 149 CB THR A 9 4.613 12.174 6.011 1.00 0.00 C ATOM 150 OG1 THR A 9 5.525 12.825 5.131 1.00 0.00 O ATOM 151 CG2 THR A 9 4.568 13.082 7.240 1.00 0.00 C ATOM 0 H THR A 9 4.145 9.994 4.746 1.00 0.00 H new ATOM 0 HA THR A 9 6.333 11.002 6.495 1.00 0.00 H new ATOM 0 HB THR A 9 3.600 12.009 5.645 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.173 13.707 4.889 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.089 14.025 6.978 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.000 12.594 8.032 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.583 13.275 7.587 1.00 0.00 H new ATOM 159 N GLY A 10 5.047 8.862 7.682 1.00 0.00 N ATOM 160 CA GLY A 10 4.602 8.088 8.828 1.00 0.00 C ATOM 161 C GLY A 10 3.184 8.489 9.244 1.00 0.00 C ATOM 162 O GLY A 10 2.836 8.418 10.421 1.00 0.00 O ATOM 0 H GLY A 10 5.603 8.340 7.004 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.627 7.026 8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.286 8.241 9.662 1.00 0.00 H new ATOM 166 N LYS A 11 2.405 8.900 8.254 1.00 0.00 N ATOM 167 CA LYS A 11 1.035 9.312 8.501 1.00 0.00 C ATOM 168 C LYS A 11 0.136 8.075 8.555 1.00 0.00 C ATOM 169 O LYS A 11 0.412 7.074 7.894 1.00 0.00 O ATOM 170 CB LYS A 11 0.592 10.349 7.467 1.00 0.00 C ATOM 171 CG LYS A 11 -0.743 10.983 7.863 1.00 0.00 C ATOM 172 CD LYS A 11 -1.430 11.619 6.653 1.00 0.00 C ATOM 173 CE LYS A 11 -2.043 12.971 7.018 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.521 12.905 6.953 1.00 0.00 N ATOM 0 H LYS A 11 2.698 8.956 7.279 1.00 0.00 H new ATOM 0 HA LYS A 11 0.955 9.807 9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.353 11.124 7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.498 9.876 6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.394 10.225 8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.577 11.739 8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.708 11.749 5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.207 10.952 6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.730 13.260 8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.677 13.739 6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.921 13.832 7.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.815 12.650 5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.866 12.187 7.621 1.00 0.00 H new ATOM 188 N THR A 12 -0.919 8.183 9.349 1.00 0.00 N ATOM 189 CA THR A 12 -1.859 7.086 9.497 1.00 0.00 C ATOM 190 C THR A 12 -3.131 7.360 8.692 1.00 0.00 C ATOM 191 O THR A 12 -3.910 8.246 9.038 1.00 0.00 O ATOM 192 CB THR A 12 -2.118 6.884 10.991 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.878 6.394 11.495 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.106 5.748 11.267 1.00 0.00 C ATOM 0 H THR A 12 -1.143 9.014 9.897 1.00 0.00 H new ATOM 0 HA THR A 12 -1.451 6.159 9.094 1.00 0.00 H new ATOM 0 HB THR A 12 -2.500 7.810 11.421 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.956 6.237 12.459 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.254 5.648 12.342 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.060 5.971 10.789 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.709 4.815 10.867 1.00 0.00 H new ATOM 202 N ILE A 13 -3.301 6.582 7.632 1.00 0.00 N ATOM 203 CA ILE A 13 -4.465 6.730 6.775 1.00 0.00 C ATOM 204 C ILE A 13 -5.256 5.420 6.765 1.00 0.00 C ATOM 205 O ILE A 13 -4.804 4.422 6.205 1.00 0.00 O ATOM 206 CB ILE A 13 -4.047 7.206 5.383 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.624 8.676 5.410 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.156 6.948 4.359 1.00 0.00 C ATOM 209 CD1 ILE A 13 -3.046 9.107 4.059 1.00 0.00 C ATOM 0 H ILE A 13 -2.652 5.848 7.348 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.130 7.501 7.165 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.178 6.626 5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.482 9.300 5.658 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.881 8.830 6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.833 7.296 3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.368 5.880 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.057 7.485 4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.754 10.156 4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.173 8.497 3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.799 8.975 3.282 1.00 0.00 H new ATOM 221 N THR A 14 -6.422 5.466 7.392 1.00 0.00 N ATOM 222 CA THR A 14 -7.279 4.295 7.463 1.00 0.00 C ATOM 223 C THR A 14 -8.346 4.348 6.368 1.00 0.00 C ATOM 224 O THR A 14 -8.866 5.418 6.055 1.00 0.00 O ATOM 225 CB THR A 14 -7.862 4.221 8.876 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.746 4.465 9.726 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.312 2.807 9.250 1.00 0.00 C ATOM 0 H THR A 14 -6.793 6.295 7.855 1.00 0.00 H new ATOM 0 HA THR A 14 -6.715 3.380 7.280 1.00 0.00 H new ATOM 0 HB THR A 14 -8.707 4.905 8.956 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.521 3.645 10.213 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.718 2.810 10.262 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.080 2.473 8.552 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.459 2.129 9.203 1.00 0.00 H new ATOM 235 N LEU A 15 -8.641 3.181 5.815 1.00 0.00 N ATOM 236 CA LEU A 15 -9.635 3.081 4.762 1.00 0.00 C ATOM 237 C LEU A 15 -10.501 1.842 5.000 1.00 0.00 C ATOM 238 O LEU A 15 -9.994 0.790 5.388 1.00 0.00 O ATOM 239 CB LEU A 15 -8.964 3.106 3.387 1.00 0.00 C ATOM 240 CG LEU A 15 -9.821 3.628 2.232 1.00 0.00 C ATOM 241 CD1 LEU A 15 -9.505 5.096 1.934 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.666 2.746 0.991 1.00 0.00 C ATOM 0 H LEU A 15 -8.208 2.296 6.077 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.300 3.945 4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.066 3.721 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.640 2.094 3.144 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.867 3.578 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.128 5.442 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.708 5.699 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.454 5.194 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.286 3.139 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.622 2.741 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.979 1.729 1.226 1.00 0.00 H new ATOM 254 N GLU A 16 -11.793 2.007 4.757 1.00 0.00 N ATOM 255 CA GLU A 16 -12.735 0.915 4.940 1.00 0.00 C ATOM 256 C GLU A 16 -13.040 0.247 3.598 1.00 0.00 C ATOM 257 O GLU A 16 -13.688 0.841 2.738 1.00 0.00 O ATOM 258 CB GLU A 16 -14.019 1.406 5.612 1.00 0.00 C ATOM 259 CG GLU A 16 -14.551 2.665 4.925 1.00 0.00 C ATOM 260 CD GLU A 16 -14.282 3.909 5.775 1.00 0.00 C ATOM 261 OE1 GLU A 16 -14.983 4.058 6.800 1.00 0.00 O ATOM 262 OE2 GLU A 16 -13.383 4.682 5.381 1.00 0.00 O ATOM 0 H GLU A 16 -12.210 2.880 4.435 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.280 0.174 5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.775 0.621 5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.826 1.616 6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.079 2.778 3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.622 2.564 4.751 1.00 0.00 H new ATOM 269 N VAL A 17 -12.557 -0.979 3.461 1.00 0.00 N ATOM 270 CA VAL A 17 -12.769 -1.735 2.239 1.00 0.00 C ATOM 271 C VAL A 17 -13.251 -3.144 2.592 1.00 0.00 C ATOM 272 O VAL A 17 -13.358 -3.491 3.768 1.00 0.00 O ATOM 273 CB VAL A 17 -11.494 -1.734 1.394 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.059 -0.306 1.060 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.371 -2.500 2.096 1.00 0.00 C ATOM 0 H VAL A 17 -12.019 -1.468 4.177 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.545 -1.268 1.632 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.713 -2.245 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.150 -0.334 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.850 0.194 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.867 0.241 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.476 -2.484 1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.155 -2.030 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.681 -3.532 2.259 1.00 0.00 H new ATOM 285 N GLU A 18 -13.528 -3.918 1.554 1.00 0.00 N ATOM 286 CA GLU A 18 -13.995 -5.282 1.740 1.00 0.00 C ATOM 287 C GLU A 18 -12.892 -6.276 1.374 1.00 0.00 C ATOM 288 O GLU A 18 -11.965 -5.937 0.640 1.00 0.00 O ATOM 289 CB GLU A 18 -15.263 -5.543 0.924 1.00 0.00 C ATOM 290 CG GLU A 18 -16.511 -5.440 1.802 1.00 0.00 C ATOM 291 CD GLU A 18 -17.333 -4.200 1.442 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.428 -3.915 0.228 1.00 0.00 O ATOM 293 OE2 GLU A 18 -17.848 -3.565 2.387 1.00 0.00 O ATOM 0 H GLU A 18 -13.438 -3.627 0.580 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.245 -5.420 2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.328 -4.824 0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.212 -6.534 0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -17.122 -6.334 1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.219 -5.396 2.851 1.00 0.00 H new ATOM 300 N PRO A 19 -13.032 -7.515 1.915 1.00 0.00 N ATOM 301 CA PRO A 19 -12.058 -8.561 1.652 1.00 0.00 C ATOM 302 C PRO A 19 -12.224 -9.122 0.239 1.00 0.00 C ATOM 303 O PRO A 19 -11.344 -9.821 -0.263 1.00 0.00 O ATOM 304 CB PRO A 19 -12.295 -9.601 2.736 1.00 0.00 C ATOM 305 CG PRO A 19 -13.687 -9.326 3.280 1.00 0.00 C ATOM 306 CD PRO A 19 -14.116 -7.953 2.789 1.00 0.00 C ATOM 0 HA PRO A 19 -11.031 -8.197 1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.227 -10.610 2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.545 -9.522 3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.387 -10.089 2.940 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.684 -9.358 4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.063 -8.003 2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.258 -7.262 3.620 1.00 0.00 H new ATOM 314 N SER A 20 -13.358 -8.796 -0.364 1.00 0.00 N ATOM 315 CA SER A 20 -13.650 -9.258 -1.710 1.00 0.00 C ATOM 316 C SER A 20 -13.114 -8.258 -2.736 1.00 0.00 C ATOM 317 O SER A 20 -12.830 -8.624 -3.875 1.00 0.00 O ATOM 318 CB SER A 20 -15.153 -9.466 -1.907 1.00 0.00 C ATOM 319 OG SER A 20 -15.435 -10.630 -2.679 1.00 0.00 O ATOM 0 H SER A 20 -14.086 -8.217 0.055 1.00 0.00 H new ATOM 0 HA SER A 20 -13.155 -10.218 -1.856 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.638 -9.550 -0.934 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.578 -8.592 -2.401 1.00 0.00 H new ATOM 0 HG SER A 20 -16.405 -10.728 -2.780 1.00 0.00 H new ATOM 325 N ASP A 21 -12.990 -7.015 -2.293 1.00 0.00 N ATOM 326 CA ASP A 21 -12.493 -5.959 -3.159 1.00 0.00 C ATOM 327 C ASP A 21 -11.037 -6.251 -3.528 1.00 0.00 C ATOM 328 O ASP A 21 -10.279 -6.777 -2.714 1.00 0.00 O ATOM 329 CB ASP A 21 -12.537 -4.602 -2.453 1.00 0.00 C ATOM 330 CG ASP A 21 -13.846 -4.295 -1.723 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.842 -4.986 -2.029 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.822 -3.377 -0.875 1.00 0.00 O ATOM 0 H ASP A 21 -13.225 -6.716 -1.347 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.125 -5.926 -4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.719 -4.556 -1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.358 -3.820 -3.190 1.00 0.00 H new ATOM 337 N THR A 22 -10.690 -5.899 -4.758 1.00 0.00 N ATOM 338 CA THR A 22 -9.339 -6.118 -5.246 1.00 0.00 C ATOM 339 C THR A 22 -8.432 -4.953 -4.844 1.00 0.00 C ATOM 340 O THR A 22 -8.914 -3.903 -4.423 1.00 0.00 O ATOM 341 CB THR A 22 -9.412 -6.337 -6.758 1.00 0.00 C ATOM 342 OG1 THR A 22 -10.408 -5.417 -7.195 1.00 0.00 O ATOM 343 CG2 THR A 22 -9.985 -7.709 -7.124 1.00 0.00 C ATOM 0 H THR A 22 -11.321 -5.464 -5.431 1.00 0.00 H new ATOM 0 HA THR A 22 -8.895 -7.006 -4.796 1.00 0.00 H new ATOM 0 HB THR A 22 -8.416 -6.233 -7.188 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.518 -5.491 -8.166 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.015 -7.813 -8.209 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.354 -8.491 -6.702 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.994 -7.801 -6.723 1.00 0.00 H new ATOM 351 N ILE A 23 -7.134 -5.179 -4.986 1.00 0.00 N ATOM 352 CA ILE A 23 -6.156 -4.161 -4.643 1.00 0.00 C ATOM 353 C ILE A 23 -6.429 -2.899 -5.465 1.00 0.00 C ATOM 354 O ILE A 23 -6.323 -1.786 -4.953 1.00 0.00 O ATOM 355 CB ILE A 23 -4.736 -4.707 -4.808 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.369 -5.641 -3.653 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.726 -3.569 -4.967 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.364 -4.889 -2.321 1.00 0.00 C ATOM 0 H ILE A 23 -6.737 -6.052 -5.334 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.247 -3.883 -3.593 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.702 -5.298 -5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.081 -6.465 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.387 -6.078 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.725 -3.984 -5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.978 -2.979 -5.848 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.754 -2.931 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.100 -5.576 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.634 -4.081 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.354 -4.474 -2.134 1.00 0.00 H new ATOM 370 N GLU A 24 -6.774 -3.116 -6.725 1.00 0.00 N ATOM 371 CA GLU A 24 -7.062 -2.010 -7.623 1.00 0.00 C ATOM 372 C GLU A 24 -8.235 -1.186 -7.089 1.00 0.00 C ATOM 373 O GLU A 24 -8.248 0.037 -7.217 1.00 0.00 O ATOM 374 CB GLU A 24 -7.346 -2.513 -9.039 1.00 0.00 C ATOM 375 CG GLU A 24 -7.260 -1.372 -10.055 1.00 0.00 C ATOM 376 CD GLU A 24 -8.532 -1.294 -10.902 1.00 0.00 C ATOM 377 OE1 GLU A 24 -9.616 -1.506 -10.319 1.00 0.00 O ATOM 378 OE2 GLU A 24 -8.390 -1.025 -12.115 1.00 0.00 O ATOM 0 H GLU A 24 -6.861 -4.041 -7.146 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.183 -1.368 -7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.631 -3.293 -9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.338 -2.964 -9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.108 -0.427 -9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.396 -1.522 -10.703 1.00 0.00 H new ATOM 385 N ASN A 25 -9.193 -1.889 -6.502 1.00 0.00 N ATOM 386 CA ASN A 25 -10.368 -1.238 -5.947 1.00 0.00 C ATOM 387 C ASN A 25 -9.955 -0.397 -4.736 1.00 0.00 C ATOM 388 O ASN A 25 -10.414 0.732 -4.576 1.00 0.00 O ATOM 389 CB ASN A 25 -11.399 -2.266 -5.480 1.00 0.00 C ATOM 390 CG ASN A 25 -12.774 -1.621 -5.299 1.00 0.00 C ATOM 391 OD1 ASN A 25 -12.914 -0.541 -4.750 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.778 -2.342 -5.790 1.00 0.00 N ATOM 0 H ASN A 25 -9.179 -2.904 -6.399 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.808 -0.616 -6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.466 -3.075 -6.207 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.075 -2.710 -4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.736 -1.998 -5.719 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.590 -3.239 -6.238 1.00 0.00 H new ATOM 399 N VAL A 26 -9.095 -0.982 -3.916 1.00 0.00 N ATOM 400 CA VAL A 26 -8.616 -0.301 -2.724 1.00 0.00 C ATOM 401 C VAL A 26 -7.822 0.940 -3.136 1.00 0.00 C ATOM 402 O VAL A 26 -8.003 2.014 -2.565 1.00 0.00 O ATOM 403 CB VAL A 26 -7.807 -1.268 -1.858 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.485 -0.648 -0.497 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.539 -2.602 -1.694 1.00 0.00 C ATOM 0 H VAL A 26 -8.717 -1.920 -4.053 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.454 0.036 -2.114 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.864 -1.464 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.909 -1.357 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.903 0.262 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.413 -0.408 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.942 -3.271 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.504 -2.431 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.693 -3.055 -2.673 1.00 0.00 H new ATOM 415 N LYS A 27 -6.960 0.751 -4.124 1.00 0.00 N ATOM 416 CA LYS A 27 -6.138 1.842 -4.618 1.00 0.00 C ATOM 417 C LYS A 27 -7.041 2.940 -5.183 1.00 0.00 C ATOM 418 O LYS A 27 -6.855 4.119 -4.882 1.00 0.00 O ATOM 419 CB LYS A 27 -5.103 1.323 -5.618 1.00 0.00 C ATOM 420 CG LYS A 27 -3.740 1.135 -4.949 1.00 0.00 C ATOM 421 CD LYS A 27 -2.771 0.397 -5.876 1.00 0.00 C ATOM 422 CE LYS A 27 -1.782 -0.450 -5.072 1.00 0.00 C ATOM 423 NZ LYS A 27 -1.005 -1.332 -5.972 1.00 0.00 N ATOM 0 H LYS A 27 -6.813 -0.141 -4.596 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.566 2.286 -3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.440 0.375 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.011 2.023 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.325 2.107 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.860 0.574 -4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.331 -0.242 -6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.226 1.117 -6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.106 0.199 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.320 -1.051 -4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.517 -2.059 -5.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.648 -1.791 -6.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.303 -0.767 -6.491 1.00 0.00 H new ATOM 437 N ALA A 28 -8.001 2.515 -5.991 1.00 0.00 N ATOM 438 CA ALA A 28 -8.934 3.448 -6.601 1.00 0.00 C ATOM 439 C ALA A 28 -9.661 4.227 -5.502 1.00 0.00 C ATOM 440 O ALA A 28 -9.958 5.409 -5.668 1.00 0.00 O ATOM 441 CB ALA A 28 -9.899 2.683 -7.510 1.00 0.00 C ATOM 0 H ALA A 28 -8.153 1.537 -6.238 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.405 4.171 -7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.599 3.382 -7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.335 2.171 -8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.451 1.951 -6.921 1.00 0.00 H new ATOM 447 N LYS A 29 -9.924 3.534 -4.405 1.00 0.00 N ATOM 448 CA LYS A 29 -10.610 4.145 -3.280 1.00 0.00 C ATOM 449 C LYS A 29 -9.713 5.223 -2.666 1.00 0.00 C ATOM 450 O LYS A 29 -10.185 6.304 -2.316 1.00 0.00 O ATOM 451 CB LYS A 29 -11.059 3.077 -2.280 1.00 0.00 C ATOM 452 CG LYS A 29 -12.568 2.840 -2.373 1.00 0.00 C ATOM 453 CD LYS A 29 -13.140 2.415 -1.020 1.00 0.00 C ATOM 454 CE LYS A 29 -14.568 2.935 -0.840 1.00 0.00 C ATOM 455 NZ LYS A 29 -14.560 4.393 -0.588 1.00 0.00 N ATOM 0 H LYS A 29 -9.674 2.554 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.522 4.639 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.528 2.145 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.798 3.388 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.063 3.751 -2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.774 2.070 -3.117 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.133 1.328 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.507 2.795 -0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.156 2.717 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.047 2.419 -0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.470 4.679 -0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.790 4.627 0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.414 4.899 -1.485 1.00 0.00 H new ATOM 469 N ILE A 30 -8.435 4.891 -2.555 1.00 0.00 N ATOM 470 CA ILE A 30 -7.468 5.817 -1.990 1.00 0.00 C ATOM 471 C ILE A 30 -7.383 7.062 -2.875 1.00 0.00 C ATOM 472 O ILE A 30 -7.198 8.172 -2.377 1.00 0.00 O ATOM 473 CB ILE A 30 -6.123 5.122 -1.776 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.256 3.962 -0.787 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.050 6.123 -1.343 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.363 2.787 -1.194 1.00 0.00 C ATOM 0 H ILE A 30 -8.047 3.994 -2.847 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.790 6.149 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.803 4.699 -2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.985 4.300 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.295 3.635 -0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.104 5.602 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.930 6.884 -2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.350 6.597 -0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.477 1.977 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.653 2.436 -2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.322 3.111 -1.214 1.00 0.00 H new ATOM 488 N GLN A 31 -7.522 6.836 -4.174 1.00 0.00 N ATOM 489 CA GLN A 31 -7.463 7.926 -5.133 1.00 0.00 C ATOM 490 C GLN A 31 -8.644 8.877 -4.929 1.00 0.00 C ATOM 491 O GLN A 31 -8.452 10.058 -4.645 1.00 0.00 O ATOM 492 CB GLN A 31 -7.429 7.393 -6.567 1.00 0.00 C ATOM 493 CG GLN A 31 -7.101 8.510 -7.560 1.00 0.00 C ATOM 494 CD GLN A 31 -7.616 8.169 -8.959 1.00 0.00 C ATOM 495 OE1 GLN A 31 -8.789 7.901 -9.168 1.00 0.00 O ATOM 496 NE2 GLN A 31 -6.680 8.193 -9.902 1.00 0.00 N ATOM 0 H GLN A 31 -7.675 5.915 -4.584 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.541 8.482 -4.965 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.685 6.601 -6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.393 6.951 -6.817 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.548 9.445 -7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.023 8.666 -7.594 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.717 8.425 -9.659 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.925 7.979 -10.869 1.00 0.00 H new ATOM 505 N ASP A 32 -9.839 8.326 -5.083 1.00 0.00 N ATOM 506 CA ASP A 32 -11.051 9.111 -4.920 1.00 0.00 C ATOM 507 C ASP A 32 -11.005 9.838 -3.575 1.00 0.00 C ATOM 508 O ASP A 32 -11.573 10.919 -3.430 1.00 0.00 O ATOM 509 CB ASP A 32 -12.292 8.216 -4.931 1.00 0.00 C ATOM 510 CG ASP A 32 -13.439 8.711 -5.814 1.00 0.00 C ATOM 511 OD1 ASP A 32 -13.352 9.877 -6.256 1.00 0.00 O ATOM 512 OD2 ASP A 32 -14.377 7.913 -6.027 1.00 0.00 O ATOM 0 H ASP A 32 -9.994 7.346 -5.319 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.109 9.818 -5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.000 7.220 -5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.658 8.115 -3.909 1.00 0.00 H new ATOM 517 N LYS A 33 -10.323 9.216 -2.625 1.00 0.00 N ATOM 518 CA LYS A 33 -10.195 9.791 -1.296 1.00 0.00 C ATOM 519 C LYS A 33 -9.199 10.953 -1.342 1.00 0.00 C ATOM 520 O LYS A 33 -9.592 12.115 -1.253 1.00 0.00 O ATOM 521 CB LYS A 33 -9.831 8.710 -0.277 1.00 0.00 C ATOM 522 CG LYS A 33 -10.955 8.519 0.744 1.00 0.00 C ATOM 523 CD LYS A 33 -10.389 8.246 2.138 1.00 0.00 C ATOM 524 CE LYS A 33 -9.957 9.547 2.819 1.00 0.00 C ATOM 525 NZ LYS A 33 -11.007 10.018 3.750 1.00 0.00 N ATOM 0 H LYS A 33 -9.853 8.319 -2.749 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.149 10.200 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.639 7.769 -0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.910 8.985 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.582 9.410 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.592 7.690 0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.140 7.744 2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.537 7.570 2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.026 9.388 3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.761 10.311 2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.698 10.901 4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.887 10.189 3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.175 9.295 4.479 1.00 0.00 H new ATOM 539 N GLU A 34 -7.931 10.598 -1.482 1.00 0.00 N ATOM 540 CA GLU A 34 -6.876 11.595 -1.540 1.00 0.00 C ATOM 541 C GLU A 34 -6.657 12.051 -2.984 1.00 0.00 C ATOM 542 O GLU A 34 -6.781 13.236 -3.290 1.00 0.00 O ATOM 543 CB GLU A 34 -5.579 11.059 -0.931 1.00 0.00 C ATOM 544 CG GLU A 34 -5.119 11.932 0.237 1.00 0.00 C ATOM 545 CD GLU A 34 -4.828 13.361 -0.228 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.786 13.540 -0.894 1.00 0.00 O ATOM 547 OE2 GLU A 34 -5.654 14.241 0.095 1.00 0.00 O ATOM 0 H GLU A 34 -7.610 9.633 -1.557 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.185 12.457 -0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.730 10.036 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.801 11.027 -1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.888 11.947 1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.224 11.502 0.686 1.00 0.00 H new ATOM 554 N GLY A 35 -6.335 11.087 -3.833 1.00 0.00 N ATOM 555 CA GLY A 35 -6.097 11.375 -5.238 1.00 0.00 C ATOM 556 C GLY A 35 -4.708 10.898 -5.667 1.00 0.00 C ATOM 557 O GLY A 35 -4.054 11.540 -6.488 1.00 0.00 O ATOM 0 H GLY A 35 -6.233 10.105 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.858 10.886 -5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.188 12.447 -5.414 1.00 0.00 H new ATOM 561 N ILE A 36 -4.298 9.776 -5.094 1.00 0.00 N ATOM 562 CA ILE A 36 -2.999 9.206 -5.407 1.00 0.00 C ATOM 563 C ILE A 36 -3.138 8.253 -6.595 1.00 0.00 C ATOM 564 O ILE A 36 -4.136 7.544 -6.713 1.00 0.00 O ATOM 565 CB ILE A 36 -2.385 8.556 -4.165 1.00 0.00 C ATOM 566 CG1 ILE A 36 -2.146 9.592 -3.066 1.00 0.00 C ATOM 567 CG2 ILE A 36 -1.108 7.792 -4.521 1.00 0.00 C ATOM 568 CD1 ILE A 36 -2.423 9.000 -1.683 1.00 0.00 C ATOM 0 H ILE A 36 -4.843 9.246 -4.414 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.302 9.989 -5.706 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.096 7.829 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.116 9.947 -3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.789 10.457 -3.231 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.692 7.340 -3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.341 7.011 -5.245 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.380 8.480 -4.951 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.245 9.758 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.460 8.668 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.761 8.151 -1.512 1.00 0.00 H new ATOM 580 N PRO A 37 -2.097 8.267 -7.469 1.00 0.00 N ATOM 581 CA PRO A 37 -2.092 7.412 -8.644 1.00 0.00 C ATOM 582 C PRO A 37 -1.800 5.959 -8.265 1.00 0.00 C ATOM 583 O PRO A 37 -0.992 5.697 -7.374 1.00 0.00 O ATOM 584 CB PRO A 37 -1.039 8.010 -9.563 1.00 0.00 C ATOM 585 CG PRO A 37 -0.170 8.892 -8.681 1.00 0.00 C ATOM 586 CD PRO A 37 -0.897 9.094 -7.362 1.00 0.00 C ATOM 0 HA PRO A 37 -3.061 7.377 -9.142 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.446 7.229 -10.039 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.501 8.590 -10.361 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.801 8.426 -8.514 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.016 9.851 -9.165 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.279 8.787 -6.518 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.151 10.142 -7.207 1.00 0.00 H new ATOM 594 N PRO A 38 -2.490 5.028 -8.977 1.00 0.00 N ATOM 595 CA PRO A 38 -2.311 3.609 -8.723 1.00 0.00 C ATOM 596 C PRO A 38 -0.982 3.112 -9.295 1.00 0.00 C ATOM 597 O PRO A 38 -0.432 2.117 -8.825 1.00 0.00 O ATOM 598 CB PRO A 38 -3.519 2.941 -9.360 1.00 0.00 C ATOM 599 CG PRO A 38 -4.085 3.953 -10.343 1.00 0.00 C ATOM 600 CD PRO A 38 -3.454 5.302 -10.038 1.00 0.00 C ATOM 0 HA PRO A 38 -2.257 3.375 -7.660 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.233 2.020 -9.869 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.259 2.672 -8.606 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.867 3.653 -11.368 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.170 4.009 -10.251 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.966 5.719 -10.919 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.203 6.026 -9.716 1.00 0.00 H new ATOM 608 N ASP A 39 -0.504 3.827 -10.303 1.00 0.00 N ATOM 609 CA ASP A 39 0.750 3.473 -10.945 1.00 0.00 C ATOM 610 C ASP A 39 1.903 3.714 -9.970 1.00 0.00 C ATOM 611 O ASP A 39 2.859 2.940 -9.928 1.00 0.00 O ATOM 612 CB ASP A 39 0.996 4.330 -12.188 1.00 0.00 C ATOM 613 CG ASP A 39 -0.070 4.206 -13.279 1.00 0.00 C ATOM 614 OD1 ASP A 39 -0.547 3.068 -13.480 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.382 5.251 -13.889 1.00 0.00 O ATOM 0 H ASP A 39 -0.964 4.651 -10.691 1.00 0.00 H new ATOM 0 HA ASP A 39 0.694 2.424 -11.236 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.063 5.374 -11.884 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.963 4.059 -12.613 1.00 0.00 H new ATOM 620 N GLN A 40 1.777 4.791 -9.208 1.00 0.00 N ATOM 621 CA GLN A 40 2.796 5.143 -8.234 1.00 0.00 C ATOM 622 C GLN A 40 2.409 4.626 -6.848 1.00 0.00 C ATOM 623 O GLN A 40 2.989 5.036 -5.844 1.00 0.00 O ATOM 624 CB GLN A 40 3.031 6.655 -8.210 1.00 0.00 C ATOM 625 CG GLN A 40 4.524 6.980 -8.278 1.00 0.00 C ATOM 626 CD GLN A 40 4.997 7.083 -9.729 1.00 0.00 C ATOM 627 OE1 GLN A 40 5.128 6.098 -10.438 1.00 0.00 O ATOM 628 NE2 GLN A 40 5.245 8.327 -10.130 1.00 0.00 N ATOM 0 H GLN A 40 0.984 5.432 -9.246 1.00 0.00 H new ATOM 0 HA GLN A 40 3.731 4.667 -8.528 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.516 7.120 -9.050 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.604 7.078 -7.301 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.719 7.919 -7.761 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.092 6.207 -7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.115 9.106 -9.485 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.566 8.501 -11.082 1.00 0.00 H new ATOM 637 N GLN A 41 1.432 3.732 -6.837 1.00 0.00 N ATOM 638 CA GLN A 41 0.960 3.154 -5.590 1.00 0.00 C ATOM 639 C GLN A 41 1.698 1.846 -5.299 1.00 0.00 C ATOM 640 O GLN A 41 1.692 0.929 -6.118 1.00 0.00 O ATOM 641 CB GLN A 41 -0.554 2.932 -5.626 1.00 0.00 C ATOM 642 CG GLN A 41 -1.304 4.214 -5.259 1.00 0.00 C ATOM 643 CD GLN A 41 -1.910 4.112 -3.856 1.00 0.00 C ATOM 644 OE1 GLN A 41 -1.647 3.187 -3.105 1.00 0.00 O ATOM 645 NE2 GLN A 41 -2.732 5.110 -3.549 1.00 0.00 N ATOM 0 H GLN A 41 0.954 3.393 -7.672 1.00 0.00 H new ATOM 0 HA GLN A 41 1.172 3.856 -4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.854 2.603 -6.621 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.825 2.136 -4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.623 5.064 -5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.093 4.399 -5.988 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.908 5.853 -4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.187 5.133 -2.637 1.00 0.00 H new ATOM 654 N ARG A 42 2.318 1.801 -4.128 1.00 0.00 N ATOM 655 CA ARG A 42 3.060 0.621 -3.718 1.00 0.00 C ATOM 656 C ARG A 42 2.711 0.250 -2.275 1.00 0.00 C ATOM 657 O ARG A 42 3.263 0.816 -1.334 1.00 0.00 O ATOM 658 CB ARG A 42 4.568 0.853 -3.827 1.00 0.00 C ATOM 659 CG ARG A 42 5.098 0.386 -5.184 1.00 0.00 C ATOM 660 CD ARG A 42 6.493 -0.228 -5.046 1.00 0.00 C ATOM 661 NE ARG A 42 6.673 -1.306 -6.044 1.00 0.00 N ATOM 662 CZ ARG A 42 7.777 -2.058 -6.146 1.00 0.00 C ATOM 663 NH1 ARG A 42 8.806 -1.855 -5.312 1.00 0.00 N ATOM 664 NH2 ARG A 42 7.853 -3.014 -7.082 1.00 0.00 N ATOM 0 H ARG A 42 2.321 2.563 -3.450 1.00 0.00 H new ATOM 0 HA ARG A 42 2.781 -0.195 -4.385 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.787 1.912 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.081 0.317 -3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.415 -0.347 -5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.134 1.229 -5.874 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.253 0.540 -5.188 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.626 -0.626 -4.040 1.00 0.00 H new ATOM 0 HE ARG A 42 5.909 -1.488 -6.695 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.749 -1.128 -4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.646 -2.428 -5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.070 -3.169 -7.717 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.694 -3.586 -7.159 1.00 0.00 H new ATOM 678 N LEU A 43 1.796 -0.700 -2.148 1.00 0.00 N ATOM 679 CA LEU A 43 1.367 -1.153 -0.836 1.00 0.00 C ATOM 680 C LEU A 43 2.127 -2.429 -0.468 1.00 0.00 C ATOM 681 O LEU A 43 2.033 -3.436 -1.167 1.00 0.00 O ATOM 682 CB LEU A 43 -0.155 -1.312 -0.795 1.00 0.00 C ATOM 683 CG LEU A 43 -0.957 -0.314 -1.633 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.445 -0.666 -1.629 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.705 1.121 -1.164 1.00 0.00 C ATOM 0 H LEU A 43 1.340 -1.168 -2.931 1.00 0.00 H new ATOM 0 HA LEU A 43 1.608 -0.407 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.404 -2.319 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.481 -1.230 0.242 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.614 -0.380 -2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.992 0.059 -2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.584 -1.663 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.821 -0.645 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.286 1.811 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.004 1.221 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.355 1.355 -1.262 1.00 0.00 H new ATOM 697 N ILE A 44 2.866 -2.344 0.628 1.00 0.00 N ATOM 698 CA ILE A 44 3.643 -3.478 1.097 1.00 0.00 C ATOM 699 C ILE A 44 2.929 -4.123 2.288 1.00 0.00 C ATOM 700 O ILE A 44 2.259 -3.439 3.059 1.00 0.00 O ATOM 701 CB ILE A 44 5.082 -3.054 1.399 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.768 -2.513 0.144 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.870 -4.202 2.035 1.00 0.00 C ATOM 704 CD1 ILE A 44 5.801 -0.983 0.154 1.00 0.00 C ATOM 0 H ILE A 44 2.943 -1.507 1.205 1.00 0.00 H new ATOM 0 HA ILE A 44 3.716 -4.238 0.319 1.00 0.00 H new ATOM 0 HB ILE A 44 5.054 -2.242 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.785 -2.902 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.240 -2.863 -0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.889 -3.874 2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.391 -4.500 2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.892 -5.051 1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.294 -0.624 -0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.782 -0.597 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.350 -0.637 1.029 1.00 0.00 H new ATOM 716 N PHE A 45 3.098 -5.432 2.400 1.00 0.00 N ATOM 717 CA PHE A 45 2.478 -6.177 3.483 1.00 0.00 C ATOM 718 C PHE A 45 3.284 -7.434 3.815 1.00 0.00 C ATOM 719 O PHE A 45 3.421 -8.327 2.979 1.00 0.00 O ATOM 720 CB PHE A 45 1.086 -6.590 3.002 1.00 0.00 C ATOM 721 CG PHE A 45 0.062 -6.751 4.127 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.156 -7.799 4.989 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.944 -5.844 4.266 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.794 -7.948 6.033 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.894 -5.994 5.310 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.800 -7.042 6.172 1.00 0.00 C ATOM 0 H PHE A 45 3.655 -5.996 1.759 1.00 0.00 H new ATOM 0 HA PHE A 45 2.432 -5.560 4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.721 -5.844 2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.165 -7.532 2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.954 -8.518 4.879 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.019 -5.011 3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.719 -8.780 6.717 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.692 -5.275 5.420 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.523 -7.155 6.966 1.00 0.00 H new ATOM 736 N ALA A 46 3.796 -7.465 5.037 1.00 0.00 N ATOM 737 CA ALA A 46 4.585 -8.598 5.489 1.00 0.00 C ATOM 738 C ALA A 46 5.752 -8.820 4.525 1.00 0.00 C ATOM 739 O ALA A 46 6.255 -9.935 4.400 1.00 0.00 O ATOM 740 CB ALA A 46 3.685 -9.831 5.609 1.00 0.00 C ATOM 0 H ALA A 46 3.680 -6.724 5.728 1.00 0.00 H new ATOM 0 HA ALA A 46 5.006 -8.403 6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.276 -10.682 5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.890 -9.632 6.328 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.247 -10.058 4.637 1.00 0.00 H new ATOM 746 N GLY A 47 6.149 -7.740 3.869 1.00 0.00 N ATOM 747 CA GLY A 47 7.248 -7.802 2.920 1.00 0.00 C ATOM 748 C GLY A 47 6.751 -8.212 1.532 1.00 0.00 C ATOM 749 O GLY A 47 7.520 -8.224 0.573 1.00 0.00 O ATOM 0 H GLY A 47 5.729 -6.816 3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.739 -6.830 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.994 -8.516 3.269 1.00 0.00 H new ATOM 753 N LYS A 48 5.468 -8.537 1.470 1.00 0.00 N ATOM 754 CA LYS A 48 4.859 -8.946 0.216 1.00 0.00 C ATOM 755 C LYS A 48 4.098 -7.764 -0.387 1.00 0.00 C ATOM 756 O LYS A 48 3.213 -7.200 0.254 1.00 0.00 O ATOM 757 CB LYS A 48 3.996 -10.193 0.420 1.00 0.00 C ATOM 758 CG LYS A 48 3.282 -10.585 -0.874 1.00 0.00 C ATOM 759 CD LYS A 48 4.022 -11.720 -1.586 1.00 0.00 C ATOM 760 CE LYS A 48 3.038 -12.762 -2.123 1.00 0.00 C ATOM 761 NZ LYS A 48 3.534 -14.130 -1.848 1.00 0.00 N ATOM 0 H LYS A 48 4.833 -8.525 2.268 1.00 0.00 H new ATOM 0 HA LYS A 48 5.626 -9.232 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.620 -11.020 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.261 -10.006 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.261 -10.895 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.215 -9.720 -1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.613 -11.315 -2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.719 -12.194 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.061 -12.622 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.904 -12.626 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.856 -14.826 -2.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.456 -14.265 -2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.639 -14.261 -0.822 1.00 0.00 H new ATOM 775 N GLN A 49 4.471 -7.424 -1.612 1.00 0.00 N ATOM 776 CA GLN A 49 3.834 -6.319 -2.309 1.00 0.00 C ATOM 777 C GLN A 49 2.501 -6.769 -2.911 1.00 0.00 C ATOM 778 O GLN A 49 2.430 -7.812 -3.561 1.00 0.00 O ATOM 779 CB GLN A 49 4.757 -5.745 -3.386 1.00 0.00 C ATOM 780 CG GLN A 49 6.150 -5.463 -2.819 1.00 0.00 C ATOM 781 CD GLN A 49 7.221 -5.599 -3.905 1.00 0.00 C ATOM 782 OE1 GLN A 49 6.979 -6.098 -4.991 1.00 0.00 O ATOM 783 NE2 GLN A 49 8.413 -5.128 -3.551 1.00 0.00 N ATOM 0 H GLN A 49 5.206 -7.894 -2.140 1.00 0.00 H new ATOM 0 HA GLN A 49 3.635 -5.526 -1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.833 -6.447 -4.217 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.329 -4.825 -3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.179 -4.458 -2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.362 -6.156 -2.005 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.547 -4.723 -2.625 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.194 -5.172 -4.206 1.00 0.00 H new ATOM 792 N LEU A 50 1.479 -5.960 -2.676 1.00 0.00 N ATOM 793 CA LEU A 50 0.153 -6.262 -3.187 1.00 0.00 C ATOM 794 C LEU A 50 0.081 -5.876 -4.667 1.00 0.00 C ATOM 795 O LEU A 50 0.180 -4.699 -5.010 1.00 0.00 O ATOM 796 CB LEU A 50 -0.919 -5.592 -2.325 1.00 0.00 C ATOM 797 CG LEU A 50 -0.682 -5.626 -0.814 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.545 -4.584 -0.100 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.903 -7.033 -0.255 1.00 0.00 C ATOM 0 H LEU A 50 1.542 -5.095 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.044 -7.332 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.008 -4.551 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.876 -6.070 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 50 0.360 -5.365 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.357 -4.629 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.296 -3.590 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.598 -4.790 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.728 -7.029 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.927 -7.347 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.211 -7.727 -0.732 1.00 0.00 H new ATOM 811 N GLU A 51 -0.089 -6.890 -5.502 1.00 0.00 N ATOM 812 CA GLU A 51 -0.175 -6.672 -6.935 1.00 0.00 C ATOM 813 C GLU A 51 -1.626 -6.416 -7.348 1.00 0.00 C ATOM 814 O GLU A 51 -2.497 -7.253 -7.114 1.00 0.00 O ATOM 815 CB GLU A 51 0.415 -7.855 -7.707 1.00 0.00 C ATOM 816 CG GLU A 51 -0.106 -9.183 -7.155 1.00 0.00 C ATOM 817 CD GLU A 51 0.047 -10.302 -8.186 1.00 0.00 C ATOM 818 OE1 GLU A 51 -0.504 -10.132 -9.295 1.00 0.00 O ATOM 819 OE2 GLU A 51 0.711 -11.304 -7.843 1.00 0.00 O ATOM 0 H GLU A 51 -0.169 -7.865 -5.213 1.00 0.00 H new ATOM 0 HA GLU A 51 0.414 -5.789 -7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.158 -7.770 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.503 -7.831 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.439 -9.443 -6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.155 -9.079 -6.878 1.00 0.00 H new ATOM 826 N ASP A 52 -1.840 -5.259 -7.956 1.00 0.00 N ATOM 827 CA ASP A 52 -3.171 -4.883 -8.402 1.00 0.00 C ATOM 828 C ASP A 52 -3.802 -6.057 -9.153 1.00 0.00 C ATOM 829 O ASP A 52 -3.452 -6.324 -10.302 1.00 0.00 O ATOM 830 CB ASP A 52 -3.115 -3.687 -9.355 1.00 0.00 C ATOM 831 CG ASP A 52 -2.115 -2.597 -8.966 1.00 0.00 C ATOM 832 OD1 ASP A 52 -2.401 -1.894 -7.972 1.00 0.00 O ATOM 833 OD2 ASP A 52 -1.089 -2.489 -9.671 1.00 0.00 O ATOM 0 H ASP A 52 -1.114 -4.569 -8.150 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.759 -4.617 -7.524 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.866 -4.048 -10.353 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.109 -3.243 -9.415 1.00 0.00 H new ATOM 838 N GLY A 53 -4.721 -6.728 -8.473 1.00 0.00 N ATOM 839 CA GLY A 53 -5.404 -7.867 -9.062 1.00 0.00 C ATOM 840 C GLY A 53 -5.709 -8.930 -8.004 1.00 0.00 C ATOM 841 O GLY A 53 -6.531 -9.817 -8.231 1.00 0.00 O ATOM 0 H GLY A 53 -5.008 -6.504 -7.520 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.332 -7.537 -9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.786 -8.299 -9.849 1.00 0.00 H new ATOM 845 N ARG A 54 -5.032 -8.804 -6.874 1.00 0.00 N ATOM 846 CA ARG A 54 -5.221 -9.742 -5.780 1.00 0.00 C ATOM 847 C ARG A 54 -6.214 -9.179 -4.762 1.00 0.00 C ATOM 848 O ARG A 54 -6.332 -7.963 -4.611 1.00 0.00 O ATOM 849 CB ARG A 54 -3.896 -10.042 -5.076 1.00 0.00 C ATOM 850 CG ARG A 54 -3.087 -11.085 -5.852 1.00 0.00 C ATOM 851 CD ARG A 54 -2.879 -12.349 -5.015 1.00 0.00 C ATOM 852 NE ARG A 54 -1.724 -13.114 -5.536 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.135 -14.123 -4.879 1.00 0.00 C ATOM 854 NH1 ARG A 54 -1.588 -14.494 -3.674 1.00 0.00 N ATOM 855 NH2 ARG A 54 -0.092 -14.761 -5.429 1.00 0.00 N ATOM 0 H ARG A 54 -4.351 -8.067 -6.691 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.613 -10.667 -6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.316 -9.125 -4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.090 -10.404 -4.067 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.605 -11.338 -6.777 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.120 -10.666 -6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.708 -12.081 -3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.777 -12.966 -5.043 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.354 -12.858 -6.451 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.382 -14.009 -3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.139 -15.262 -3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.253 -14.478 -6.347 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.357 -15.529 -4.930 1.00 0.00 H new ATOM 869 N THR A 55 -6.904 -10.088 -4.090 1.00 0.00 N ATOM 870 CA THR A 55 -7.884 -9.697 -3.091 1.00 0.00 C ATOM 871 C THR A 55 -7.252 -9.690 -1.697 1.00 0.00 C ATOM 872 O THR A 55 -6.397 -10.521 -1.395 1.00 0.00 O ATOM 873 CB THR A 55 -9.083 -10.641 -3.209 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.500 -11.942 -3.223 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.784 -10.532 -4.565 1.00 0.00 C ATOM 0 H THR A 55 -6.804 -11.095 -4.218 1.00 0.00 H new ATOM 0 HA THR A 55 -8.235 -8.679 -3.260 1.00 0.00 H new ATOM 0 HB THR A 55 -9.796 -10.423 -2.414 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.207 -12.617 -3.296 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.627 -11.223 -4.595 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.144 -9.513 -4.707 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.081 -10.783 -5.359 1.00 0.00 H new ATOM 883 N LEU A 56 -7.696 -8.741 -0.886 1.00 0.00 N ATOM 884 CA LEU A 56 -7.184 -8.614 0.467 1.00 0.00 C ATOM 885 C LEU A 56 -7.319 -9.957 1.188 1.00 0.00 C ATOM 886 O LEU A 56 -6.450 -10.336 1.972 1.00 0.00 O ATOM 887 CB LEU A 56 -7.871 -7.455 1.193 1.00 0.00 C ATOM 888 CG LEU A 56 -7.782 -6.089 0.510 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.948 -5.190 0.928 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.427 -5.430 0.775 1.00 0.00 C ATOM 0 H LEU A 56 -8.405 -8.053 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.123 -8.366 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.924 -7.706 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.439 -7.370 2.190 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.861 -6.240 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.861 -4.225 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.890 -5.661 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.925 -5.043 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.391 -4.461 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.293 -5.293 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.631 -6.066 0.388 1.00 0.00 H new ATOM 902 N SER A 57 -8.417 -10.641 0.896 1.00 0.00 N ATOM 903 CA SER A 57 -8.676 -11.934 1.505 1.00 0.00 C ATOM 904 C SER A 57 -7.597 -12.935 1.090 1.00 0.00 C ATOM 905 O SER A 57 -7.148 -13.742 1.902 1.00 0.00 O ATOM 906 CB SER A 57 -10.062 -12.456 1.119 1.00 0.00 C ATOM 907 OG SER A 57 -10.366 -13.691 1.763 1.00 0.00 O ATOM 0 H SER A 57 -9.136 -10.324 0.246 1.00 0.00 H new ATOM 0 HA SER A 57 -8.651 -11.813 2.588 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.815 -11.714 1.384 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.111 -12.589 0.038 1.00 0.00 H new ATOM 0 HG SER A 57 -11.259 -13.990 1.492 1.00 0.00 H new ATOM 913 N ASP A 58 -7.211 -12.850 -0.175 1.00 0.00 N ATOM 914 CA ASP A 58 -6.193 -13.739 -0.709 1.00 0.00 C ATOM 915 C ASP A 58 -4.869 -13.481 0.013 1.00 0.00 C ATOM 916 O ASP A 58 -3.968 -14.318 -0.017 1.00 0.00 O ATOM 917 CB ASP A 58 -5.974 -13.491 -2.202 1.00 0.00 C ATOM 918 CG ASP A 58 -6.492 -14.597 -3.124 1.00 0.00 C ATOM 919 OD1 ASP A 58 -7.726 -14.790 -3.140 1.00 0.00 O ATOM 920 OD2 ASP A 58 -5.642 -15.224 -3.792 1.00 0.00 O ATOM 0 H ASP A 58 -7.585 -12.179 -0.846 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.528 -14.765 -0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.460 -12.554 -2.474 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.907 -13.360 -2.381 1.00 0.00 H new ATOM 925 N TYR A 59 -4.793 -12.320 0.646 1.00 0.00 N ATOM 926 CA TYR A 59 -3.594 -11.941 1.375 1.00 0.00 C ATOM 927 C TYR A 59 -3.749 -12.222 2.870 1.00 0.00 C ATOM 928 O TYR A 59 -2.785 -12.124 3.628 1.00 0.00 O ATOM 929 CB TYR A 59 -3.431 -10.434 1.165 1.00 0.00 C ATOM 930 CG TYR A 59 -2.835 -10.056 -0.192 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.580 -10.508 -0.546 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.554 -9.262 -1.063 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.020 -10.151 -1.823 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.992 -8.905 -2.341 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.754 -9.368 -2.658 1.00 0.00 C ATOM 936 OH TYR A 59 -1.224 -9.030 -3.865 1.00 0.00 O ATOM 0 H TYR A 59 -5.543 -11.629 0.669 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.734 -12.508 1.019 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.405 -9.956 1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.794 -10.034 1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.018 -11.130 0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.537 -8.909 -0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.039 -10.497 -2.112 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.542 -8.283 -3.032 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.040 -9.843 -4.381 1.00 0.00 H new ATOM 946 N ASN A 60 -4.971 -12.567 3.251 1.00 0.00 N ATOM 947 CA ASN A 60 -5.265 -12.863 4.643 1.00 0.00 C ATOM 948 C ASN A 60 -4.940 -11.638 5.500 1.00 0.00 C ATOM 949 O ASN A 60 -4.053 -11.689 6.351 1.00 0.00 O ATOM 950 CB ASN A 60 -4.418 -14.033 5.148 1.00 0.00 C ATOM 951 CG ASN A 60 -4.692 -14.309 6.628 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.680 -13.873 7.195 1.00 0.00 O ATOM 953 ND2 ASN A 60 -3.764 -15.056 7.219 1.00 0.00 N ATOM 0 H ASN A 60 -5.768 -12.648 2.620 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.321 -13.124 4.717 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.637 -14.925 4.561 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.361 -13.809 5.006 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.855 -15.296 8.206 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.961 -15.389 6.685 1.00 0.00 H new ATOM 960 N ILE A 61 -5.675 -10.565 5.246 1.00 0.00 N ATOM 961 CA ILE A 61 -5.476 -9.330 5.984 1.00 0.00 C ATOM 962 C ILE A 61 -6.355 -9.341 7.236 1.00 0.00 C ATOM 963 O ILE A 61 -7.538 -9.669 7.165 1.00 0.00 O ATOM 964 CB ILE A 61 -5.712 -8.120 5.077 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.460 -7.794 4.261 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.199 -6.916 5.885 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.818 -7.507 2.801 1.00 0.00 C ATOM 0 H ILE A 61 -6.409 -10.526 4.539 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.442 -9.250 6.321 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.501 -8.373 4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.955 -6.930 4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.761 -8.629 4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.359 -6.070 5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.135 -7.167 6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.450 -6.652 6.632 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.911 -7.278 2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.301 -8.382 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.498 -6.656 2.754 1.00 0.00 H new ATOM 979 N GLN A 62 -5.743 -8.978 8.354 1.00 0.00 N ATOM 980 CA GLN A 62 -6.456 -8.943 9.619 1.00 0.00 C ATOM 981 C GLN A 62 -6.969 -7.529 9.900 1.00 0.00 C ATOM 982 O GLN A 62 -6.431 -6.555 9.376 1.00 0.00 O ATOM 983 CB GLN A 62 -5.568 -9.441 10.762 1.00 0.00 C ATOM 984 CG GLN A 62 -4.789 -10.691 10.347 1.00 0.00 C ATOM 985 CD GLN A 62 -5.158 -11.886 11.228 1.00 0.00 C ATOM 986 OE1 GLN A 62 -6.127 -12.589 10.991 1.00 0.00 O ATOM 987 NE2 GLN A 62 -4.335 -12.075 12.255 1.00 0.00 N ATOM 0 H GLN A 62 -4.762 -8.706 8.410 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.313 -9.613 9.550 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.872 -8.655 11.055 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.183 -9.664 11.634 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.000 -10.925 9.304 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.719 -10.498 10.420 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.542 -11.449 12.395 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.496 -12.846 12.903 1.00 0.00 H new ATOM 996 N LYS A 63 -8.002 -7.463 10.726 1.00 0.00 N ATOM 997 CA LYS A 63 -8.594 -6.184 11.084 1.00 0.00 C ATOM 998 C LYS A 63 -7.492 -5.226 11.541 1.00 0.00 C ATOM 999 O LYS A 63 -6.572 -5.628 12.253 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.707 -6.378 12.114 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.169 -7.039 13.385 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.224 -7.946 14.021 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.833 -8.322 15.452 1.00 0.00 C ATOM 1004 NZ LYS A 63 -9.619 -9.781 15.564 1.00 0.00 N ATOM 0 H LYS A 63 -8.445 -8.274 11.158 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.071 -5.729 10.216 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.151 -5.414 12.361 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.499 -6.993 11.687 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.279 -7.622 13.147 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.867 -6.272 14.098 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.189 -7.440 14.025 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.340 -8.850 13.423 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.924 -7.792 15.738 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.616 -8.009 16.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.354 -10.019 16.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.495 -10.281 15.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.857 -10.071 14.919 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.620 -3.979 11.114 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.646 -2.961 11.471 1.00 0.00 C ATOM 1020 C GLU A 64 -5.238 -3.414 11.078 1.00 0.00 C ATOM 1021 O GLU A 64 -4.320 -3.375 11.895 1.00 0.00 O ATOM 1022 CB GLU A 64 -6.720 -2.632 12.963 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.171 -2.612 13.448 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.236 -2.550 14.976 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.210 -3.638 15.590 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -8.311 -1.415 15.495 1.00 0.00 O ATOM 0 H GLU A 64 -8.384 -3.650 10.524 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.881 -2.050 10.920 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.153 -3.370 13.530 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.257 -1.663 13.149 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.689 -1.752 13.023 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.689 -3.503 13.094 1.00 0.00 H new ATOM 1033 N SER A 65 -5.112 -3.832 9.827 1.00 0.00 N ATOM 1034 CA SER A 65 -3.832 -4.291 9.317 1.00 0.00 C ATOM 1035 C SER A 65 -2.910 -3.096 9.065 1.00 0.00 C ATOM 1036 O SER A 65 -3.375 -2.009 8.725 1.00 0.00 O ATOM 1037 CB SER A 65 -4.011 -5.104 8.033 1.00 0.00 C ATOM 1038 OG SER A 65 -5.034 -4.567 7.199 1.00 0.00 O ATOM 0 H SER A 65 -5.876 -3.862 9.152 1.00 0.00 H new ATOM 0 HA SER A 65 -3.378 -4.940 10.066 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.070 -5.126 7.484 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.255 -6.135 8.288 1.00 0.00 H new ATOM 0 HG SER A 65 -5.046 -3.591 7.283 1.00 0.00 H new ATOM 1044 N THR A 66 -1.619 -3.337 9.242 1.00 0.00 N ATOM 1045 CA THR A 66 -0.629 -2.295 9.038 1.00 0.00 C ATOM 1046 C THR A 66 -0.013 -2.408 7.642 1.00 0.00 C ATOM 1047 O THR A 66 0.851 -3.251 7.407 1.00 0.00 O ATOM 1048 CB THR A 66 0.401 -2.394 10.166 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.272 -1.856 11.300 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.590 -1.454 9.958 1.00 0.00 C ATOM 0 H THR A 66 -1.236 -4.239 9.525 1.00 0.00 H new ATOM 0 HA THR A 66 -1.084 -1.305 9.078 1.00 0.00 H new ATOM 0 HB THR A 66 0.759 -3.421 10.240 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.324 -1.884 12.078 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.290 -1.564 10.786 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.092 -1.703 9.023 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.236 -0.424 9.916 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.484 -1.548 6.752 1.00 0.00 N ATOM 1059 CA LEU A 67 0.009 -1.541 5.384 1.00 0.00 C ATOM 1060 C LEU A 67 0.861 -0.290 5.160 1.00 0.00 C ATOM 1061 O LEU A 67 0.586 0.763 5.734 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.150 -1.682 4.396 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.107 -2.849 4.647 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.133 -2.495 5.726 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.775 -3.298 3.346 1.00 0.00 C ATOM 0 H LEU A 67 -1.202 -0.851 6.950 1.00 0.00 H new ATOM 0 HA LEU A 67 0.654 -2.402 5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.726 -0.757 4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.736 -1.787 3.393 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.527 -3.693 5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.801 -3.342 5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.616 -2.261 6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.714 -1.630 5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.450 -4.129 3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.340 -2.468 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.012 -3.618 2.637 1.00 0.00 H new ATOM 1077 N HIS A 68 1.876 -0.446 4.324 1.00 0.00 N ATOM 1078 CA HIS A 68 2.769 0.658 4.015 1.00 0.00 C ATOM 1079 C HIS A 68 2.497 1.158 2.596 1.00 0.00 C ATOM 1080 O HIS A 68 2.685 0.422 1.628 1.00 0.00 O ATOM 1081 CB HIS A 68 4.228 0.253 4.233 1.00 0.00 C ATOM 1082 CG HIS A 68 5.082 1.338 4.843 1.00 0.00 C ATOM 1083 ND1 HIS A 68 5.961 2.107 4.100 1.00 0.00 N ATOM 1084 CD2 HIS A 68 5.183 1.775 6.131 1.00 0.00 C ATOM 1085 CE1 HIS A 68 6.558 2.965 4.915 1.00 0.00 C ATOM 1086 NE2 HIS A 68 6.076 2.756 6.174 1.00 0.00 N ATOM 0 H HIS A 68 2.100 -1.321 3.850 1.00 0.00 H new ATOM 0 HA HIS A 68 2.577 1.487 4.696 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.258 -0.625 4.879 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.660 -0.040 3.276 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.630 1.388 6.974 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.296 3.701 4.632 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.356 3.269 7.010 1.00 0.00 H new ATOM 1094 N LEU A 69 2.058 2.405 2.516 1.00 0.00 N ATOM 1095 CA LEU A 69 1.757 3.012 1.230 1.00 0.00 C ATOM 1096 C LEU A 69 2.953 3.853 0.776 1.00 0.00 C ATOM 1097 O LEU A 69 3.108 4.997 1.200 1.00 0.00 O ATOM 1098 CB LEU A 69 0.445 3.796 1.300 1.00 0.00 C ATOM 1099 CG LEU A 69 0.308 4.964 0.322 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.504 4.495 -1.121 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -1.026 5.687 0.513 1.00 0.00 C ATOM 0 H LEU A 69 1.903 3.012 3.321 1.00 0.00 H new ATOM 0 HA LEU A 69 1.601 2.243 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.379 3.104 1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.329 4.181 2.313 1.00 0.00 H new ATOM 0 HG LEU A 69 1.097 5.684 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.402 5.344 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.498 4.062 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.248 3.745 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.097 6.513 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.846 4.990 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.087 6.075 1.530 1.00 0.00 H new ATOM 1113 N VAL A 70 3.767 3.252 -0.079 1.00 0.00 N ATOM 1114 CA VAL A 70 4.943 3.932 -0.595 1.00 0.00 C ATOM 1115 C VAL A 70 4.778 4.157 -2.100 1.00 0.00 C ATOM 1116 O VAL A 70 3.843 3.641 -2.709 1.00 0.00 O ATOM 1117 CB VAL A 70 6.202 3.136 -0.245 1.00 0.00 C ATOM 1118 CG1 VAL A 70 6.528 2.116 -1.339 1.00 0.00 C ATOM 1119 CG2 VAL A 70 7.389 4.069 0.005 1.00 0.00 C ATOM 0 H VAL A 70 3.636 2.302 -0.427 1.00 0.00 H new ATOM 0 HA VAL A 70 5.053 4.912 -0.130 1.00 0.00 H new ATOM 0 HB VAL A 70 6.006 2.588 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.427 1.564 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.695 1.422 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.694 2.635 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.271 3.478 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.585 4.656 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.157 4.738 0.834 1.00 0.00 H new ATOM 1129 N LEU A 71 5.700 4.930 -2.654 1.00 0.00 N ATOM 1130 CA LEU A 71 5.669 5.230 -4.076 1.00 0.00 C ATOM 1131 C LEU A 71 6.366 4.108 -4.845 1.00 0.00 C ATOM 1132 O LEU A 71 7.182 3.379 -4.284 1.00 0.00 O ATOM 1133 CB LEU A 71 6.257 6.617 -4.343 1.00 0.00 C ATOM 1134 CG LEU A 71 5.525 7.793 -3.693 1.00 0.00 C ATOM 1135 CD1 LEU A 71 6.094 8.094 -2.306 1.00 0.00 C ATOM 1136 CD2 LEU A 71 5.549 9.023 -4.602 1.00 0.00 C ATOM 0 H LEU A 71 6.473 5.358 -2.144 1.00 0.00 H new ATOM 0 HA LEU A 71 4.641 5.270 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.291 6.624 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.279 6.779 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 71 4.480 7.513 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.556 8.934 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.981 7.217 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.151 8.346 -2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.022 9.844 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.582 9.316 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.060 8.787 -5.547 1.00 0.00 H new ATOM 1148 N ARG A 72 6.019 4.003 -6.120 1.00 0.00 N ATOM 1149 CA ARG A 72 6.602 2.981 -6.973 1.00 0.00 C ATOM 1150 C ARG A 72 7.852 3.522 -7.672 1.00 0.00 C ATOM 1151 O ARG A 72 8.171 4.704 -7.552 1.00 0.00 O ATOM 1152 CB ARG A 72 5.601 2.508 -8.029 1.00 0.00 C ATOM 1153 CG ARG A 72 5.753 1.008 -8.295 1.00 0.00 C ATOM 1154 CD ARG A 72 5.766 0.718 -9.797 1.00 0.00 C ATOM 1155 NE ARG A 72 5.471 -0.712 -10.038 1.00 0.00 N ATOM 1156 CZ ARG A 72 6.338 -1.708 -9.805 1.00 0.00 C ATOM 1157 NH1 ARG A 72 7.558 -1.435 -9.325 1.00 0.00 N ATOM 1158 NH2 ARG A 72 5.983 -2.976 -10.054 1.00 0.00 N ATOM 0 H ARG A 72 5.341 4.609 -6.583 1.00 0.00 H new ATOM 0 HA ARG A 72 6.872 2.136 -6.340 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.586 2.721 -7.694 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.754 3.063 -8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.676 0.646 -7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.933 0.466 -7.823 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.028 1.341 -10.302 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.739 0.973 -10.217 1.00 0.00 H new ATOM 0 HE ARG A 72 4.551 -0.955 -10.404 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.828 -0.469 -9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.218 -2.193 -9.148 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.054 -3.183 -10.421 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.642 -3.734 -9.877 1.00 0.00 H new ATOM 1172 N LEU A 73 8.525 2.630 -8.385 1.00 0.00 N ATOM 1173 CA LEU A 73 9.732 3.004 -9.102 1.00 0.00 C ATOM 1174 C LEU A 73 9.350 3.754 -10.378 1.00 0.00 C ATOM 1175 O LEU A 73 9.552 4.964 -10.476 1.00 0.00 O ATOM 1176 CB LEU A 73 10.608 1.774 -9.350 1.00 0.00 C ATOM 1177 CG LEU A 73 11.616 1.436 -8.250 1.00 0.00 C ATOM 1178 CD1 LEU A 73 10.914 0.840 -7.028 1.00 0.00 C ATOM 1179 CD2 LEU A 73 12.720 0.519 -8.780 1.00 0.00 C ATOM 0 H LEU A 73 8.257 1.650 -8.481 1.00 0.00 H new ATOM 0 HA LEU A 73 10.337 3.684 -8.502 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.957 0.912 -9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.153 1.923 -10.282 1.00 0.00 H new ATOM 0 HG LEU A 73 12.093 2.362 -7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.653 0.609 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.195 1.559 -6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.393 -0.073 -7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.423 0.294 -7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.279 -0.408 -9.146 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.246 1.016 -9.595 1.00 0.00 H new ATOM 1191 N ARG A 74 8.804 3.006 -11.326 1.00 0.00 N ATOM 1192 CA ARG A 74 8.392 3.586 -12.593 1.00 0.00 C ATOM 1193 C ARG A 74 6.937 4.052 -12.516 1.00 0.00 C ATOM 1194 O ARG A 74 6.439 4.366 -11.436 1.00 0.00 O ATOM 1195 CB ARG A 74 8.537 2.577 -13.734 1.00 0.00 C ATOM 1196 CG ARG A 74 9.186 3.225 -14.959 1.00 0.00 C ATOM 1197 CD ARG A 74 8.438 2.847 -16.239 1.00 0.00 C ATOM 1198 NE ARG A 74 8.227 1.383 -16.290 1.00 0.00 N ATOM 1199 CZ ARG A 74 9.205 0.490 -16.492 1.00 0.00 C ATOM 1200 NH1 ARG A 74 10.468 0.906 -16.664 1.00 0.00 N ATOM 1201 NH2 ARG A 74 8.921 -0.819 -16.523 1.00 0.00 N ATOM 0 H ARG A 74 8.637 2.003 -11.242 1.00 0.00 H new ATOM 0 HA ARG A 74 9.040 4.439 -12.793 1.00 0.00 H new ATOM 0 HB2 ARG A 74 9.140 1.732 -13.403 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.557 2.183 -14.003 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.190 4.309 -14.842 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.226 2.908 -15.034 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.478 3.362 -16.274 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.006 3.171 -17.111 1.00 0.00 H new ATOM 0 HE ARG A 74 7.278 1.032 -16.163 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.684 1.903 -16.641 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.212 0.226 -16.818 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.960 -1.136 -16.393 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.666 -1.499 -16.677 1.00 0.00 H new ATOM 1215 N GLY A 75 6.295 4.081 -13.675 1.00 0.00 N ATOM 1216 CA GLY A 75 4.907 4.502 -13.752 1.00 0.00 C ATOM 1217 C GLY A 75 4.021 3.378 -14.292 1.00 0.00 C ATOM 1218 O GLY A 75 3.683 3.364 -15.474 1.00 0.00 O ATOM 0 H GLY A 75 6.711 3.819 -14.569 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.559 4.801 -12.763 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.824 5.377 -14.397 1.00 0.00 H new ATOM 1222 N GLY A 76 3.672 2.463 -13.399 1.00 0.00 N ATOM 1223 CA GLY A 76 2.832 1.337 -13.772 1.00 0.00 C ATOM 1224 C GLY A 76 2.628 0.389 -12.588 1.00 0.00 C ATOM 1225 O GLY A 76 3.167 0.618 -11.506 1.00 0.00 O ATOM 0 H GLY A 76 3.955 2.478 -12.419 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.866 1.700 -14.123 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.289 0.796 -14.601 1.00 0.00 H new TER 1229 GLY A 76