USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 Set 1.1: A 60 ASN : amide:sc= -0.367 X(o=-0.45,f=-0.52) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.0849 X(o=-0.45,f=-0.48) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.697 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.725 K(o=1.4,f=0.047) USER MOD Set 3.1: A 7 THR OG1 : rot 124:sc= 1.67 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.14 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -179:sc= 1.01 (180deg=0.0549) USER MOD Set 4.2: A 12 THR OG1 : rot 131:sc= 0.841 USER MOD Single : A 1 MET CE :methyl -164:sc= 0 (180deg=-0.142) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.2) USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.0909 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 0.976 (180deg=0.8) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -3.16! K(o=-3.2!,f=-0.053) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.908 K(o=0.91,f=-0.13) USER MOD Single : A 41 ASN : amide:sc= 0.313 X(o=0.31,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.837! C(o=-0.84!,f=-4!) USER MOD Single : A 55 THR OG1 : rot -58:sc= 1.27 USER MOD Single : A 57 SER OG : rot 71:sc= 1.15 USER MOD Single : A 59 TYR OH : rot -176:sc= 0.123 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -89:sc= 1.32 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00676 X(o=-0.0068,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.127 -5.436 -0.132 1.00 0.00 N ATOM 2 CA MET A 1 14.160 -4.517 0.494 1.00 0.00 C ATOM 3 C MET A 1 12.741 -5.030 0.293 1.00 0.00 C ATOM 4 O MET A 1 12.252 -5.050 -0.836 1.00 0.00 O ATOM 5 CB MET A 1 14.310 -3.081 -0.030 1.00 0.00 C ATOM 6 CG MET A 1 13.200 -2.163 0.506 1.00 0.00 C ATOM 7 SD MET A 1 13.520 -0.392 0.307 1.00 0.00 S ATOM 8 CE MET A 1 12.054 0.281 1.131 1.00 0.00 C ATOM 0 H1 MET A 1 16.092 -5.075 0.012 1.00 0.00 H new ATOM 0 H2 MET A 1 15.041 -6.378 0.301 1.00 0.00 H new ATOM 0 H3 MET A 1 14.931 -5.504 -1.151 1.00 0.00 H new ATOM 0 HA MET A 1 14.372 -4.486 1.563 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.283 -2.686 0.263 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.284 -3.086 -1.120 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.267 -2.409 -0.002 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.052 -2.375 1.565 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.935 1.331 0.862 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.172 -0.276 0.816 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.172 0.194 2.211 1.00 0.00 H new ATOM 18 N GLN A 2 12.087 -5.505 1.355 1.00 0.00 N ATOM 19 CA GLN A 2 10.712 -5.986 1.297 1.00 0.00 C ATOM 20 C GLN A 2 9.841 -5.185 2.267 1.00 0.00 C ATOM 21 O GLN A 2 10.359 -4.533 3.170 1.00 0.00 O ATOM 22 CB GLN A 2 10.622 -7.511 1.488 1.00 0.00 C ATOM 23 CG GLN A 2 11.259 -8.041 2.778 1.00 0.00 C ATOM 24 CD GLN A 2 10.846 -9.488 3.044 1.00 0.00 C ATOM 25 OE1 GLN A 2 11.300 -10.426 2.392 1.00 0.00 O ATOM 26 NE2 GLN A 2 9.979 -9.721 4.013 1.00 0.00 N ATOM 0 H GLN A 2 12.503 -5.566 2.284 1.00 0.00 H new ATOM 0 HA GLN A 2 10.316 -5.814 0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.572 -7.803 1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.100 -7.997 0.638 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.345 -7.978 2.703 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.960 -7.414 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.600 -8.945 4.556 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.688 -10.677 4.218 1.00 0.00 H new ATOM 35 N ILE A 3 8.533 -5.146 2.037 1.00 0.00 N ATOM 36 CA ILE A 3 7.542 -4.471 2.877 1.00 0.00 C ATOM 37 C ILE A 3 6.381 -5.444 3.099 1.00 0.00 C ATOM 38 O ILE A 3 6.336 -6.512 2.476 1.00 0.00 O ATOM 39 CB ILE A 3 7.082 -3.119 2.286 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.406 -3.290 0.904 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.265 -2.134 2.257 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.593 -2.065 0.471 1.00 0.00 C ATOM 0 H ILE A 3 8.114 -5.602 1.227 1.00 0.00 H new ATOM 0 HA ILE A 3 7.990 -4.209 3.836 1.00 0.00 H new ATOM 0 HB ILE A 3 6.313 -2.697 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.172 -3.492 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.751 -4.161 0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.936 -1.182 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.633 -1.978 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.065 -2.544 1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.146 -2.251 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.805 -1.875 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.248 -1.196 0.410 1.00 0.00 H new ATOM 54 N PHE A 4 5.450 -5.102 3.984 1.00 0.00 N ATOM 55 CA PHE A 4 4.277 -5.903 4.285 1.00 0.00 C ATOM 56 C PHE A 4 3.038 -5.034 4.115 1.00 0.00 C ATOM 57 O PHE A 4 3.099 -3.813 4.282 1.00 0.00 O ATOM 58 CB PHE A 4 4.309 -6.467 5.708 1.00 0.00 C ATOM 59 CG PHE A 4 5.478 -7.355 6.071 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.506 -8.699 5.651 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.502 -6.860 6.900 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.548 -9.547 6.069 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.542 -7.708 7.312 1.00 0.00 C ATOM 64 CZ PHE A 4 7.564 -9.052 6.905 1.00 0.00 C ATOM 0 H PHE A 4 5.495 -4.237 4.523 1.00 0.00 H new ATOM 0 HA PHE A 4 4.260 -6.750 3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.292 -5.629 6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.392 -7.033 5.868 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.727 -9.079 5.007 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.488 -5.828 7.219 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.567 -10.578 5.748 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.329 -7.325 7.945 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.360 -9.704 7.234 1.00 0.00 H new ATOM 74 N VAL A 5 1.902 -5.649 3.791 1.00 0.00 N ATOM 75 CA VAL A 5 0.643 -4.935 3.614 1.00 0.00 C ATOM 76 C VAL A 5 -0.472 -5.758 4.263 1.00 0.00 C ATOM 77 O VAL A 5 -0.581 -6.959 4.015 1.00 0.00 O ATOM 78 CB VAL A 5 0.370 -4.606 2.126 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.704 -3.512 2.043 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.603 -4.112 1.346 1.00 0.00 C ATOM 0 H VAL A 5 1.830 -6.656 3.644 1.00 0.00 H new ATOM 0 HA VAL A 5 0.692 -3.965 4.109 1.00 0.00 H new ATOM 0 HB VAL A 5 0.053 -5.543 1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.902 -3.275 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.621 -3.866 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.353 -2.618 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.322 -3.905 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.985 -3.201 1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.377 -4.880 1.364 1.00 0.00 H new ATOM 90 N LYS A 6 -1.276 -5.131 5.122 1.00 0.00 N ATOM 91 CA LYS A 6 -2.399 -5.744 5.823 1.00 0.00 C ATOM 92 C LYS A 6 -3.660 -5.420 5.023 1.00 0.00 C ATOM 93 O LYS A 6 -3.951 -4.239 4.802 1.00 0.00 O ATOM 94 CB LYS A 6 -2.492 -5.226 7.272 1.00 0.00 C ATOM 95 CG LYS A 6 -2.973 -6.319 8.242 1.00 0.00 C ATOM 96 CD LYS A 6 -1.813 -7.218 8.697 1.00 0.00 C ATOM 97 CE LYS A 6 -2.258 -8.249 9.741 1.00 0.00 C ATOM 98 NZ LYS A 6 -2.836 -9.475 9.153 1.00 0.00 N ATOM 0 H LYS A 6 -1.157 -4.145 5.356 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.270 -6.824 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.515 -4.862 7.591 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.177 -4.379 7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.439 -5.856 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.737 -6.927 7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.395 -7.735 7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.018 -6.600 9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.402 -8.521 10.359 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.994 -7.791 10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.130 -10.120 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.662 -9.225 8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.123 -9.944 8.558 1.00 0.00 H new ATOM 112 N THR A 7 -4.354 -6.426 4.496 1.00 0.00 N ATOM 113 CA THR A 7 -5.573 -6.200 3.718 1.00 0.00 C ATOM 114 C THR A 7 -6.745 -5.887 4.655 1.00 0.00 C ATOM 115 O THR A 7 -6.661 -6.140 5.861 1.00 0.00 O ATOM 116 CB THR A 7 -5.890 -7.438 2.858 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.285 -8.513 3.680 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.713 -7.881 1.980 1.00 0.00 C ATOM 0 H THR A 7 -4.094 -7.407 4.593 1.00 0.00 H new ATOM 0 HA THR A 7 -5.417 -5.347 3.057 1.00 0.00 H new ATOM 0 HB THR A 7 -6.702 -7.148 2.191 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.167 -8.834 3.397 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.002 -8.757 1.400 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.439 -7.072 1.303 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.861 -8.129 2.612 1.00 0.00 H new ATOM 126 N LEU A 8 -7.864 -5.379 4.119 1.00 0.00 N ATOM 127 CA LEU A 8 -9.054 -5.087 4.933 1.00 0.00 C ATOM 128 C LEU A 8 -9.753 -6.373 5.394 1.00 0.00 C ATOM 129 O LEU A 8 -10.627 -6.324 6.252 1.00 0.00 O ATOM 130 CB LEU A 8 -10.065 -4.193 4.194 1.00 0.00 C ATOM 131 CG LEU A 8 -11.030 -4.871 3.188 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.939 -3.793 2.594 1.00 0.00 C ATOM 133 CD2 LEU A 8 -10.387 -5.648 2.029 1.00 0.00 C ATOM 0 H LEU A 8 -7.970 -5.162 3.128 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.692 -4.544 5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.668 -3.680 4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.505 -3.427 3.657 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.559 -5.624 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.627 -4.249 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.507 -3.315 3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.332 -3.046 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.168 -6.073 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.770 -4.973 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.766 -6.450 2.429 1.00 0.00 H new ATOM 145 N THR A 9 -9.339 -7.514 4.847 1.00 0.00 N ATOM 146 CA THR A 9 -9.828 -8.858 5.089 1.00 0.00 C ATOM 147 C THR A 9 -9.037 -9.559 6.203 1.00 0.00 C ATOM 148 O THR A 9 -9.429 -10.648 6.629 1.00 0.00 O ATOM 149 CB THR A 9 -9.837 -9.620 3.746 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.786 -9.214 2.873 1.00 0.00 O ATOM 151 CG2 THR A 9 -11.171 -9.369 3.037 1.00 0.00 C ATOM 0 H THR A 9 -8.584 -7.514 4.161 1.00 0.00 H new ATOM 0 HA THR A 9 -10.851 -8.830 5.465 1.00 0.00 H new ATOM 0 HB THR A 9 -9.694 -10.676 3.976 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.836 -9.727 2.040 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.185 -9.904 2.087 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.989 -9.723 3.665 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.290 -8.301 2.853 1.00 0.00 H new ATOM 159 N GLY A 10 -7.908 -8.980 6.635 1.00 0.00 N ATOM 160 CA GLY A 10 -7.054 -9.480 7.702 1.00 0.00 C ATOM 161 C GLY A 10 -5.844 -10.257 7.216 1.00 0.00 C ATOM 162 O GLY A 10 -5.120 -10.803 8.047 1.00 0.00 O ATOM 0 H GLY A 10 -7.557 -8.113 6.228 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.713 -8.638 8.305 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.645 -10.121 8.356 1.00 0.00 H new ATOM 166 N LYS A 11 -5.581 -10.297 5.908 1.00 0.00 N ATOM 167 CA LYS A 11 -4.437 -11.028 5.389 1.00 0.00 C ATOM 168 C LYS A 11 -3.177 -10.188 5.551 1.00 0.00 C ATOM 169 O LYS A 11 -3.249 -8.989 5.839 1.00 0.00 O ATOM 170 CB LYS A 11 -4.628 -11.349 3.891 1.00 0.00 C ATOM 171 CG LYS A 11 -5.843 -12.232 3.564 1.00 0.00 C ATOM 172 CD LYS A 11 -5.554 -13.737 3.628 1.00 0.00 C ATOM 173 CE LYS A 11 -4.437 -14.242 2.696 1.00 0.00 C ATOM 174 NZ LYS A 11 -4.683 -13.939 1.271 1.00 0.00 N ATOM 0 H LYS A 11 -6.145 -9.832 5.197 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.345 -11.960 5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.722 -10.411 3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.729 -11.844 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.648 -11.997 4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.202 -11.983 2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.290 -13.994 4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.472 -14.275 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.491 -13.793 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.331 -15.320 2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.913 -14.334 0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.587 -14.361 0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.722 -12.908 1.137 1.00 0.00 H new ATOM 188 N THR A 12 -2.028 -10.827 5.377 1.00 0.00 N ATOM 189 CA THR A 12 -0.720 -10.206 5.427 1.00 0.00 C ATOM 190 C THR A 12 -0.107 -10.560 4.075 1.00 0.00 C ATOM 191 O THR A 12 -0.159 -11.718 3.653 1.00 0.00 O ATOM 192 CB THR A 12 0.095 -10.764 6.605 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.454 -10.288 7.821 1.00 0.00 O ATOM 194 CG2 THR A 12 1.577 -10.379 6.520 1.00 0.00 C ATOM 0 H THR A 12 -1.984 -11.829 5.191 1.00 0.00 H new ATOM 0 HA THR A 12 -0.751 -9.129 5.589 1.00 0.00 H new ATOM 0 HB THR A 12 0.039 -11.852 6.563 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.580 -11.038 8.439 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.111 -10.796 7.374 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.003 -10.774 5.598 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.672 -9.293 6.528 1.00 0.00 H new ATOM 202 N ILE A 13 0.442 -9.561 3.394 1.00 0.00 N ATOM 203 CA ILE A 13 1.091 -9.657 2.095 1.00 0.00 C ATOM 204 C ILE A 13 2.558 -9.276 2.293 1.00 0.00 C ATOM 205 O ILE A 13 2.850 -8.512 3.214 1.00 0.00 O ATOM 206 CB ILE A 13 0.363 -8.728 1.094 1.00 0.00 C ATOM 207 CG1 ILE A 13 -1.176 -8.914 1.099 1.00 0.00 C ATOM 208 CG2 ILE A 13 0.918 -8.854 -0.337 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.668 -10.287 0.621 1.00 0.00 C ATOM 0 H ILE A 13 0.445 -8.607 3.756 1.00 0.00 H new ATOM 0 HA ILE A 13 1.043 -10.665 1.682 1.00 0.00 H new ATOM 0 HB ILE A 13 0.567 -7.717 1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.543 -8.746 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.621 -8.146 0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.373 -8.181 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.975 -8.590 -0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.799 -9.880 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.757 -10.318 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.338 -10.455 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.259 -11.065 1.266 1.00 0.00 H new ATOM 221 N THR A 14 3.446 -9.733 1.409 1.00 0.00 N ATOM 222 CA THR A 14 4.882 -9.467 1.414 1.00 0.00 C ATOM 223 C THR A 14 5.258 -9.073 -0.023 1.00 0.00 C ATOM 224 O THR A 14 4.856 -9.770 -0.959 1.00 0.00 O ATOM 225 CB THR A 14 5.638 -10.717 1.902 1.00 0.00 C ATOM 226 OG1 THR A 14 5.103 -11.180 3.128 1.00 0.00 O ATOM 227 CG2 THR A 14 7.123 -10.429 2.138 1.00 0.00 C ATOM 0 H THR A 14 3.167 -10.330 0.630 1.00 0.00 H new ATOM 0 HA THR A 14 5.153 -8.660 2.095 1.00 0.00 H new ATOM 0 HB THR A 14 5.525 -11.466 1.118 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.276 -10.519 3.831 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.620 -11.337 2.481 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.581 -10.095 1.207 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.227 -9.650 2.894 1.00 0.00 H new ATOM 235 N LEU A 15 5.954 -7.950 -0.230 1.00 0.00 N ATOM 236 CA LEU A 15 6.362 -7.463 -1.557 1.00 0.00 C ATOM 237 C LEU A 15 7.780 -6.902 -1.530 1.00 0.00 C ATOM 238 O LEU A 15 8.209 -6.420 -0.483 1.00 0.00 O ATOM 239 CB LEU A 15 5.430 -6.328 -2.021 1.00 0.00 C ATOM 240 CG LEU A 15 4.007 -6.756 -2.410 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.177 -5.498 -2.693 1.00 0.00 C ATOM 242 CD2 LEU A 15 3.997 -7.669 -3.640 1.00 0.00 C ATOM 0 H LEU A 15 6.256 -7.342 0.531 1.00 0.00 H new ATOM 0 HA LEU A 15 6.310 -8.313 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.363 -5.588 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.888 -5.833 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 15 3.580 -7.323 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.163 -5.786 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.145 -4.874 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.632 -4.938 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.970 -7.947 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.437 -7.143 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.577 -8.568 -3.431 1.00 0.00 H new ATOM 254 N GLU A 16 8.488 -6.978 -2.656 1.00 0.00 N ATOM 255 CA GLU A 16 9.839 -6.476 -2.879 1.00 0.00 C ATOM 256 C GLU A 16 9.660 -5.116 -3.555 1.00 0.00 C ATOM 257 O GLU A 16 9.033 -5.022 -4.613 1.00 0.00 O ATOM 258 CB GLU A 16 10.644 -7.454 -3.750 1.00 0.00 C ATOM 259 CG GLU A 16 11.999 -6.885 -4.206 1.00 0.00 C ATOM 260 CD GLU A 16 13.004 -7.957 -4.635 1.00 0.00 C ATOM 261 OE1 GLU A 16 12.694 -8.815 -5.498 1.00 0.00 O ATOM 262 OE2 GLU A 16 14.113 -7.992 -4.048 1.00 0.00 O ATOM 0 H GLU A 16 8.106 -7.422 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 16 10.403 -6.377 -1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.813 -8.374 -3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.054 -7.719 -4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.834 -6.201 -5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.430 -6.300 -3.393 1.00 0.00 H new ATOM 269 N VAL A 17 10.124 -4.057 -2.897 1.00 0.00 N ATOM 270 CA VAL A 17 10.034 -2.675 -3.361 1.00 0.00 C ATOM 271 C VAL A 17 11.381 -1.974 -3.155 1.00 0.00 C ATOM 272 O VAL A 17 12.346 -2.605 -2.725 1.00 0.00 O ATOM 273 CB VAL A 17 8.862 -1.968 -2.642 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.521 -2.696 -2.837 1.00 0.00 C ATOM 275 CG2 VAL A 17 9.123 -1.835 -1.136 1.00 0.00 C ATOM 0 H VAL A 17 10.590 -4.140 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 17 9.821 -2.638 -4.429 1.00 0.00 H new ATOM 0 HB VAL A 17 8.796 -0.980 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.734 -2.156 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.282 -2.741 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.595 -3.708 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.279 -1.333 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.247 -2.826 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.029 -1.251 -0.974 1.00 0.00 H new ATOM 285 N GLU A 18 11.463 -0.674 -3.440 1.00 0.00 N ATOM 286 CA GLU A 18 12.671 0.128 -3.282 1.00 0.00 C ATOM 287 C GLU A 18 12.299 1.544 -2.830 1.00 0.00 C ATOM 288 O GLU A 18 11.138 1.937 -2.967 1.00 0.00 O ATOM 289 CB GLU A 18 13.475 0.119 -4.592 1.00 0.00 C ATOM 290 CG GLU A 18 12.734 0.613 -5.844 1.00 0.00 C ATOM 291 CD GLU A 18 13.626 0.530 -7.084 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.753 -0.573 -7.662 1.00 0.00 O ATOM 293 OE2 GLU A 18 14.208 1.570 -7.468 1.00 0.00 O ATOM 0 H GLU A 18 10.671 -0.139 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 18 13.308 -0.300 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.363 0.736 -4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.819 -0.899 -4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.836 0.015 -5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.409 1.643 -5.695 1.00 0.00 H new ATOM 300 N PRO A 19 13.246 2.354 -2.320 1.00 0.00 N ATOM 301 CA PRO A 19 12.968 3.716 -1.876 1.00 0.00 C ATOM 302 C PRO A 19 12.374 4.616 -2.968 1.00 0.00 C ATOM 303 O PRO A 19 11.765 5.631 -2.623 1.00 0.00 O ATOM 304 CB PRO A 19 14.306 4.263 -1.368 1.00 0.00 C ATOM 305 CG PRO A 19 15.039 2.999 -0.951 1.00 0.00 C ATOM 306 CD PRO A 19 14.648 2.050 -2.078 1.00 0.00 C ATOM 0 HA PRO A 19 12.202 3.705 -1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.844 4.807 -2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.173 4.950 -0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 19 16.117 3.148 -0.893 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.714 2.637 0.024 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.253 2.217 -2.969 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.787 1.008 -1.789 1.00 0.00 H new ATOM 314 N SER A 20 12.510 4.263 -4.249 1.00 0.00 N ATOM 315 CA SER A 20 11.984 5.039 -5.363 1.00 0.00 C ATOM 316 C SER A 20 10.912 4.253 -6.115 1.00 0.00 C ATOM 317 O SER A 20 10.736 4.431 -7.319 1.00 0.00 O ATOM 318 CB SER A 20 13.126 5.463 -6.286 1.00 0.00 C ATOM 319 OG SER A 20 14.117 6.175 -5.562 1.00 0.00 O ATOM 0 H SER A 20 12.997 3.416 -4.540 1.00 0.00 H new ATOM 0 HA SER A 20 11.508 5.940 -4.976 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.570 4.583 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.737 6.087 -7.091 1.00 0.00 H new ATOM 0 HG SER A 20 14.841 6.437 -6.169 1.00 0.00 H new ATOM 325 N ASP A 21 10.168 3.406 -5.408 1.00 0.00 N ATOM 326 CA ASP A 21 9.080 2.627 -5.983 1.00 0.00 C ATOM 327 C ASP A 21 7.867 3.531 -5.739 1.00 0.00 C ATOM 328 O ASP A 21 7.709 4.056 -4.627 1.00 0.00 O ATOM 329 CB ASP A 21 9.011 1.285 -5.242 1.00 0.00 C ATOM 330 CG ASP A 21 8.167 0.227 -5.931 1.00 0.00 C ATOM 331 OD1 ASP A 21 8.620 -0.943 -5.982 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.026 0.537 -6.327 1.00 0.00 O ATOM 0 H ASP A 21 10.306 3.241 -4.411 1.00 0.00 H new ATOM 0 HA ASP A 21 9.171 2.372 -7.039 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.023 0.900 -5.119 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.611 1.456 -4.243 1.00 0.00 H new ATOM 337 N THR A 22 7.059 3.820 -6.761 1.00 0.00 N ATOM 338 CA THR A 22 5.909 4.695 -6.582 1.00 0.00 C ATOM 339 C THR A 22 4.757 3.950 -5.930 1.00 0.00 C ATOM 340 O THR A 22 4.599 2.738 -6.088 1.00 0.00 O ATOM 341 CB THR A 22 5.444 5.259 -7.940 1.00 0.00 C ATOM 342 OG1 THR A 22 5.540 4.269 -8.949 1.00 0.00 O ATOM 343 CG2 THR A 22 6.222 6.512 -8.339 1.00 0.00 C ATOM 0 H THR A 22 7.181 3.464 -7.709 1.00 0.00 H new ATOM 0 HA THR A 22 6.214 5.516 -5.933 1.00 0.00 H new ATOM 0 HB THR A 22 4.399 5.550 -7.830 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.240 4.643 -9.804 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.860 6.874 -9.302 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.079 7.285 -7.584 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.283 6.272 -8.417 1.00 0.00 H new ATOM 351 N ILE A 23 3.846 4.710 -5.311 1.00 0.00 N ATOM 352 CA ILE A 23 2.668 4.108 -4.690 1.00 0.00 C ATOM 353 C ILE A 23 1.802 3.451 -5.782 1.00 0.00 C ATOM 354 O ILE A 23 1.058 2.527 -5.472 1.00 0.00 O ATOM 355 CB ILE A 23 1.929 5.129 -3.807 1.00 0.00 C ATOM 356 CG1 ILE A 23 2.833 5.693 -2.685 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.629 4.570 -3.201 1.00 0.00 C ATOM 358 CD1 ILE A 23 3.549 4.663 -1.801 1.00 0.00 C ATOM 0 H ILE A 23 3.902 5.725 -5.229 1.00 0.00 H new ATOM 0 HA ILE A 23 2.958 3.312 -4.004 1.00 0.00 H new ATOM 0 HB ILE A 23 1.658 5.944 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.587 6.332 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.224 6.329 -2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.154 5.337 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.048 4.274 -4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.860 3.703 -2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.151 5.180 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.810 4.036 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.195 4.040 -2.419 1.00 0.00 H new ATOM 370 N GLU A 24 1.881 3.911 -7.040 1.00 0.00 N ATOM 371 CA GLU A 24 1.146 3.351 -8.176 1.00 0.00 C ATOM 372 C GLU A 24 1.480 1.860 -8.288 1.00 0.00 C ATOM 373 O GLU A 24 0.588 1.017 -8.358 1.00 0.00 O ATOM 374 CB GLU A 24 1.552 4.115 -9.457 1.00 0.00 C ATOM 375 CG GLU A 24 1.088 3.458 -10.770 1.00 0.00 C ATOM 376 CD GLU A 24 1.379 4.347 -11.985 1.00 0.00 C ATOM 377 OE1 GLU A 24 0.421 4.900 -12.574 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.569 4.531 -12.341 1.00 0.00 O ATOM 0 H GLU A 24 2.472 4.701 -7.298 1.00 0.00 H new ATOM 0 HA GLU A 24 0.070 3.457 -8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.143 5.124 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.638 4.211 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.590 2.498 -10.893 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.019 3.254 -10.716 1.00 0.00 H new ATOM 385 N ASN A 25 2.778 1.553 -8.269 1.00 0.00 N ATOM 386 CA ASN A 25 3.314 0.206 -8.364 1.00 0.00 C ATOM 387 C ASN A 25 2.929 -0.590 -7.130 1.00 0.00 C ATOM 388 O ASN A 25 2.334 -1.657 -7.264 1.00 0.00 O ATOM 389 CB ASN A 25 4.829 0.256 -8.568 1.00 0.00 C ATOM 390 CG ASN A 25 5.135 0.537 -10.022 1.00 0.00 C ATOM 391 OD1 ASN A 25 4.977 -0.344 -10.859 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.511 1.753 -10.361 1.00 0.00 N ATOM 0 H ASN A 25 3.505 2.264 -8.184 1.00 0.00 H new ATOM 0 HA ASN A 25 2.886 -0.300 -9.230 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.266 1.030 -7.938 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.278 -0.691 -8.268 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.678 1.980 -11.341 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.635 2.467 -9.643 1.00 0.00 H new ATOM 399 N VAL A 26 3.203 -0.078 -5.927 1.00 0.00 N ATOM 400 CA VAL A 26 2.864 -0.771 -4.684 1.00 0.00 C ATOM 401 C VAL A 26 1.364 -1.110 -4.636 1.00 0.00 C ATOM 402 O VAL A 26 0.977 -2.198 -4.207 1.00 0.00 O ATOM 403 CB VAL A 26 3.316 0.062 -3.466 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.031 -0.673 -2.146 1.00 0.00 C ATOM 405 CG2 VAL A 26 4.819 0.374 -3.510 1.00 0.00 C ATOM 0 H VAL A 26 3.663 0.822 -5.789 1.00 0.00 H new ATOM 0 HA VAL A 26 3.402 -1.718 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 26 2.746 0.990 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.362 -0.058 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.961 -0.861 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.568 -1.621 -2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.094 0.962 -2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.384 -0.558 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.047 0.940 -4.413 1.00 0.00 H new ATOM 415 N LYS A 27 0.496 -0.212 -5.120 1.00 0.00 N ATOM 416 CA LYS A 27 -0.954 -0.407 -5.122 1.00 0.00 C ATOM 417 C LYS A 27 -1.384 -1.398 -6.210 1.00 0.00 C ATOM 418 O LYS A 27 -2.483 -1.946 -6.094 1.00 0.00 O ATOM 419 CB LYS A 27 -1.610 0.975 -5.316 1.00 0.00 C ATOM 420 CG LYS A 27 -3.149 0.968 -5.306 1.00 0.00 C ATOM 421 CD LYS A 27 -3.762 2.378 -5.281 1.00 0.00 C ATOM 422 CE LYS A 27 -3.201 3.267 -6.401 1.00 0.00 C ATOM 423 NZ LYS A 27 -3.992 4.500 -6.588 1.00 0.00 N ATOM 0 H LYS A 27 0.787 0.678 -5.524 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.277 -0.842 -4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.259 1.642 -4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.269 1.393 -6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.509 0.438 -6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.498 0.412 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.845 2.305 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.564 2.843 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.169 3.532 -6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.184 2.704 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.436 5.190 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.867 4.276 -7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.232 4.903 -5.660 1.00 0.00 H new ATOM 437 N ALA A 28 -0.543 -1.663 -7.209 1.00 0.00 N ATOM 438 CA ALA A 28 -0.791 -2.598 -8.300 1.00 0.00 C ATOM 439 C ALA A 28 -0.298 -3.996 -7.924 1.00 0.00 C ATOM 440 O ALA A 28 -1.037 -4.969 -8.103 1.00 0.00 O ATOM 441 CB ALA A 28 -0.093 -2.083 -9.558 1.00 0.00 C ATOM 0 H ALA A 28 0.369 -1.211 -7.281 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.861 -2.670 -8.493 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.271 -2.774 -10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.488 -1.101 -9.817 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.979 -2.006 -9.374 1.00 0.00 H new ATOM 447 N LYS A 29 0.905 -4.119 -7.349 1.00 0.00 N ATOM 448 CA LYS A 29 1.474 -5.410 -6.950 1.00 0.00 C ATOM 449 C LYS A 29 0.518 -6.171 -6.036 1.00 0.00 C ATOM 450 O LYS A 29 0.371 -7.387 -6.171 1.00 0.00 O ATOM 451 CB LYS A 29 2.853 -5.222 -6.309 1.00 0.00 C ATOM 452 CG LYS A 29 3.912 -4.809 -7.338 1.00 0.00 C ATOM 453 CD LYS A 29 5.329 -4.929 -6.768 1.00 0.00 C ATOM 454 CE LYS A 29 6.354 -4.235 -7.672 1.00 0.00 C ATOM 455 NZ LYS A 29 6.464 -4.823 -9.024 1.00 0.00 N ATOM 0 H LYS A 29 1.511 -3.324 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 29 1.612 -6.016 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.790 -4.463 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.159 -6.151 -5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.822 -5.436 -8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.732 -3.781 -7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.361 -4.487 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.591 -5.981 -6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.086 -3.183 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.331 -4.273 -7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.176 -4.300 -9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.750 -5.820 -8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.544 -4.763 -9.504 1.00 0.00 H new ATOM 469 N ILE A 30 -0.144 -5.478 -5.110 1.00 0.00 N ATOM 470 CA ILE A 30 -1.103 -6.092 -4.195 1.00 0.00 C ATOM 471 C ILE A 30 -2.302 -6.699 -4.951 1.00 0.00 C ATOM 472 O ILE A 30 -2.927 -7.624 -4.434 1.00 0.00 O ATOM 473 CB ILE A 30 -1.542 -5.104 -3.092 1.00 0.00 C ATOM 474 CG1 ILE A 30 -2.119 -3.811 -3.697 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.367 -4.829 -2.136 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.677 -2.837 -2.663 1.00 0.00 C ATOM 0 H ILE A 30 -0.030 -4.474 -4.974 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.600 -6.920 -3.695 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.346 -5.556 -2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.338 -3.310 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.911 -4.072 -4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.684 -4.131 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.047 -5.763 -1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.463 -4.397 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.064 -1.952 -3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.481 -3.318 -2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.884 -2.544 -1.974 1.00 0.00 H new ATOM 488 N GLN A 31 -2.644 -6.230 -6.154 1.00 0.00 N ATOM 489 CA GLN A 31 -3.770 -6.754 -6.935 1.00 0.00 C ATOM 490 C GLN A 31 -3.368 -8.083 -7.577 1.00 0.00 C ATOM 491 O GLN A 31 -4.219 -8.905 -7.922 1.00 0.00 O ATOM 492 CB GLN A 31 -4.219 -5.736 -7.996 1.00 0.00 C ATOM 493 CG GLN A 31 -4.273 -4.321 -7.403 1.00 0.00 C ATOM 494 CD GLN A 31 -4.954 -3.295 -8.290 1.00 0.00 C ATOM 495 OE1 GLN A 31 -4.884 -3.330 -9.516 1.00 0.00 O ATOM 496 NE2 GLN A 31 -5.596 -2.315 -7.694 1.00 0.00 N ATOM 0 H GLN A 31 -2.145 -5.471 -6.617 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.618 -6.927 -6.272 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.530 -5.756 -8.840 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.201 -6.012 -8.380 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.795 -4.361 -6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.256 -3.987 -7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.653 -2.288 -6.676 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.037 -1.582 -8.250 1.00 0.00 H new ATOM 505 N ASP A 32 -2.065 -8.312 -7.757 1.00 0.00 N ATOM 506 CA ASP A 32 -1.544 -9.568 -8.293 1.00 0.00 C ATOM 507 C ASP A 32 -1.461 -10.553 -7.116 1.00 0.00 C ATOM 508 O ASP A 32 -1.758 -11.733 -7.292 1.00 0.00 O ATOM 509 CB ASP A 32 -0.179 -9.367 -8.963 1.00 0.00 C ATOM 510 CG ASP A 32 0.672 -10.641 -8.928 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.547 -11.485 -9.843 1.00 0.00 O ATOM 512 OD2 ASP A 32 1.489 -10.768 -7.987 1.00 0.00 O ATOM 0 H ASP A 32 -1.341 -7.629 -7.534 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.201 -9.959 -9.070 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.325 -9.057 -9.998 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.356 -8.560 -8.461 1.00 0.00 H new ATOM 517 N LYS A 33 -1.187 -10.063 -5.896 1.00 0.00 N ATOM 518 CA LYS A 33 -1.059 -10.867 -4.679 1.00 0.00 C ATOM 519 C LYS A 33 -2.366 -11.134 -3.924 1.00 0.00 C ATOM 520 O LYS A 33 -2.359 -12.003 -3.056 1.00 0.00 O ATOM 521 CB LYS A 33 -0.028 -10.209 -3.741 1.00 0.00 C ATOM 522 CG LYS A 33 1.435 -10.380 -4.183 1.00 0.00 C ATOM 523 CD LYS A 33 1.832 -11.858 -4.258 1.00 0.00 C ATOM 524 CE LYS A 33 3.347 -12.077 -4.183 1.00 0.00 C ATOM 525 NZ LYS A 33 3.642 -13.504 -3.950 1.00 0.00 N ATOM 0 H LYS A 33 -1.045 -9.067 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.726 -11.851 -5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.250 -9.144 -3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.144 -10.629 -2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.578 -9.914 -5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.090 -9.862 -3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.352 -12.399 -3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.455 -12.283 -5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.816 -11.747 -5.110 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.770 -11.474 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.672 -13.642 -3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.209 -13.806 -3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.254 -14.071 -4.731 1.00 0.00 H new ATOM 539 N GLU A 34 -3.462 -10.425 -4.178 1.00 0.00 N ATOM 540 CA GLU A 34 -4.763 -10.614 -3.526 1.00 0.00 C ATOM 541 C GLU A 34 -5.829 -10.189 -4.545 1.00 0.00 C ATOM 542 O GLU A 34 -5.533 -9.413 -5.458 1.00 0.00 O ATOM 543 CB GLU A 34 -4.824 -9.766 -2.238 1.00 0.00 C ATOM 544 CG GLU A 34 -6.026 -10.022 -1.315 1.00 0.00 C ATOM 545 CD GLU A 34 -5.874 -11.322 -0.524 1.00 0.00 C ATOM 546 OE1 GLU A 34 -5.060 -11.374 0.419 1.00 0.00 O ATOM 547 OE2 GLU A 34 -6.539 -12.330 -0.855 1.00 0.00 O ATOM 0 H GLU A 34 -3.473 -9.674 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.928 -11.650 -3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.911 -9.941 -1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.827 -8.713 -2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.136 -9.187 -0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.938 -10.064 -1.911 1.00 0.00 H new ATOM 554 N GLY A 35 -7.070 -10.660 -4.406 1.00 0.00 N ATOM 555 CA GLY A 35 -8.152 -10.327 -5.324 1.00 0.00 C ATOM 556 C GLY A 35 -8.755 -8.965 -4.997 1.00 0.00 C ATOM 557 O GLY A 35 -9.858 -8.912 -4.448 1.00 0.00 O ATOM 0 H GLY A 35 -7.350 -11.285 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.776 -10.325 -6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.926 -11.092 -5.270 1.00 0.00 H new ATOM 561 N ILE A 36 -8.065 -7.870 -5.324 1.00 0.00 N ATOM 562 CA ILE A 36 -8.529 -6.505 -5.065 1.00 0.00 C ATOM 563 C ILE A 36 -8.294 -5.594 -6.291 1.00 0.00 C ATOM 564 O ILE A 36 -7.145 -5.257 -6.573 1.00 0.00 O ATOM 565 CB ILE A 36 -7.881 -5.952 -3.764 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.341 -6.131 -3.683 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.560 -6.599 -2.540 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.701 -5.520 -2.432 1.00 0.00 C ATOM 0 H ILE A 36 -7.155 -7.907 -5.783 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.607 -6.521 -4.902 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.044 -4.874 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.108 -7.195 -3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.887 -5.681 -4.566 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.108 -6.213 -1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.624 -6.362 -2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.429 -7.680 -2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.624 -5.690 -2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.899 -4.448 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.123 -5.987 -1.542 1.00 0.00 H new ATOM 580 N PRO A 37 -9.338 -5.190 -7.042 1.00 0.00 N ATOM 581 CA PRO A 37 -9.202 -4.301 -8.196 1.00 0.00 C ATOM 582 C PRO A 37 -8.857 -2.867 -7.744 1.00 0.00 C ATOM 583 O PRO A 37 -8.997 -2.549 -6.559 1.00 0.00 O ATOM 584 CB PRO A 37 -10.580 -4.295 -8.884 1.00 0.00 C ATOM 585 CG PRO A 37 -11.363 -5.431 -8.233 1.00 0.00 C ATOM 586 CD PRO A 37 -10.737 -5.523 -6.849 1.00 0.00 C ATOM 0 HA PRO A 37 -8.406 -4.641 -8.858 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.085 -3.339 -8.744 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.483 -4.450 -9.959 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.429 -5.209 -8.181 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.258 -6.364 -8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.214 -4.832 -6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.850 -6.523 -6.431 1.00 0.00 H new ATOM 594 N PRO A 38 -8.478 -1.947 -8.656 1.00 0.00 N ATOM 595 CA PRO A 38 -8.165 -0.565 -8.300 1.00 0.00 C ATOM 596 C PRO A 38 -9.467 0.238 -8.148 1.00 0.00 C ATOM 597 O PRO A 38 -9.641 1.291 -8.762 1.00 0.00 O ATOM 598 CB PRO A 38 -7.279 -0.058 -9.449 1.00 0.00 C ATOM 599 CG PRO A 38 -7.791 -0.835 -10.658 1.00 0.00 C ATOM 600 CD PRO A 38 -8.259 -2.174 -10.077 1.00 0.00 C ATOM 0 HA PRO A 38 -7.647 -0.465 -7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.381 1.018 -9.590 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.224 -0.257 -9.261 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.608 -0.309 -11.152 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.006 -0.976 -11.401 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.175 -2.510 -10.563 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.510 -2.950 -10.236 1.00 0.00 H new ATOM 608 N ASP A 39 -10.360 -0.223 -7.280 1.00 0.00 N ATOM 609 CA ASP A 39 -11.656 0.346 -6.945 1.00 0.00 C ATOM 610 C ASP A 39 -11.861 0.024 -5.472 1.00 0.00 C ATOM 611 O ASP A 39 -11.595 -1.102 -5.037 1.00 0.00 O ATOM 612 CB ASP A 39 -12.774 -0.248 -7.809 1.00 0.00 C ATOM 613 CG ASP A 39 -14.144 0.350 -7.483 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.242 1.528 -7.067 1.00 0.00 O ATOM 615 OD2 ASP A 39 -15.151 -0.370 -7.662 1.00 0.00 O ATOM 0 H ASP A 39 -10.179 -1.075 -6.750 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.685 1.419 -7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.547 -0.076 -8.861 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.808 -1.328 -7.663 1.00 0.00 H new ATOM 620 N GLN A 40 -12.318 1.017 -4.711 1.00 0.00 N ATOM 621 CA GLN A 40 -12.545 0.953 -3.272 1.00 0.00 C ATOM 622 C GLN A 40 -11.299 0.390 -2.581 1.00 0.00 C ATOM 623 O GLN A 40 -11.382 -0.536 -1.778 1.00 0.00 O ATOM 624 CB GLN A 40 -13.835 0.186 -2.928 1.00 0.00 C ATOM 625 CG GLN A 40 -15.091 0.686 -3.650 1.00 0.00 C ATOM 626 CD GLN A 40 -15.202 2.209 -3.657 1.00 0.00 C ATOM 627 OE1 GLN A 40 -15.229 2.864 -2.618 1.00 0.00 O ATOM 628 NE2 GLN A 40 -15.228 2.815 -4.829 1.00 0.00 N ATOM 0 H GLN A 40 -12.550 1.930 -5.101 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.706 1.961 -2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.690 -0.867 -3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.002 0.248 -1.853 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.083 0.322 -4.677 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.973 0.264 -3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.205 2.265 -5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.271 3.833 -4.876 1.00 0.00 H new ATOM 637 N ASN A 41 -10.129 0.956 -2.905 1.00 0.00 N ATOM 638 CA ASN A 41 -8.842 0.564 -2.351 1.00 0.00 C ATOM 639 C ASN A 41 -7.928 1.783 -2.273 1.00 0.00 C ATOM 640 O ASN A 41 -7.867 2.559 -3.228 1.00 0.00 O ATOM 641 CB ASN A 41 -8.180 -0.561 -3.176 1.00 0.00 C ATOM 642 CG ASN A 41 -8.564 -1.943 -2.654 1.00 0.00 C ATOM 643 OD1 ASN A 41 -7.940 -2.460 -1.725 1.00 0.00 O ATOM 644 ND2 ASN A 41 -9.600 -2.546 -3.203 1.00 0.00 N ATOM 0 H ASN A 41 -10.058 1.719 -3.578 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.008 0.170 -1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.478 -0.470 -4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.096 -0.447 -3.143 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.900 -3.459 -2.860 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.102 -2.100 -3.971 1.00 0.00 H new ATOM 651 N ARG A 42 -7.230 1.975 -1.152 1.00 0.00 N ATOM 652 CA ARG A 42 -6.301 3.066 -0.863 1.00 0.00 C ATOM 653 C ARG A 42 -5.288 2.548 0.153 1.00 0.00 C ATOM 654 O ARG A 42 -5.670 1.945 1.157 1.00 0.00 O ATOM 655 CB ARG A 42 -7.087 4.255 -0.294 1.00 0.00 C ATOM 656 CG ARG A 42 -6.215 5.442 0.133 1.00 0.00 C ATOM 657 CD ARG A 42 -7.055 6.442 0.935 1.00 0.00 C ATOM 658 NE ARG A 42 -7.998 7.203 0.104 1.00 0.00 N ATOM 659 CZ ARG A 42 -7.744 8.371 -0.493 1.00 0.00 C ATOM 660 NH1 ARG A 42 -6.489 8.795 -0.612 1.00 0.00 N ATOM 661 NH2 ARG A 42 -8.747 9.103 -0.958 1.00 0.00 N ATOM 0 H ARG A 42 -7.305 1.326 -0.369 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.783 3.399 -1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.801 4.595 -1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.664 3.916 0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.377 5.091 0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.793 5.930 -0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.610 5.906 1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.390 7.137 1.448 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.928 6.805 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.723 8.229 -0.248 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.293 9.686 -1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.707 8.774 -0.859 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.558 9.995 -1.415 1.00 0.00 H new ATOM 675 N LEU A 43 -4.007 2.818 -0.082 1.00 0.00 N ATOM 676 CA LEU A 43 -2.896 2.399 0.761 1.00 0.00 C ATOM 677 C LEU A 43 -2.660 3.456 1.843 1.00 0.00 C ATOM 678 O LEU A 43 -2.711 4.654 1.563 1.00 0.00 O ATOM 679 CB LEU A 43 -1.679 2.238 -0.164 1.00 0.00 C ATOM 680 CG LEU A 43 -0.448 1.574 0.474 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.661 0.081 0.743 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.731 1.737 -0.490 1.00 0.00 C ATOM 0 H LEU A 43 -3.705 3.355 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.093 1.457 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.979 1.650 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.390 3.223 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.260 2.056 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.238 -0.339 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.503 -0.050 1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.870 -0.432 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.619 1.274 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.494 1.256 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.920 2.797 -0.657 1.00 0.00 H new ATOM 694 N ILE A 44 -2.369 3.031 3.073 1.00 0.00 N ATOM 695 CA ILE A 44 -2.128 3.885 4.239 1.00 0.00 C ATOM 696 C ILE A 44 -0.852 3.393 4.937 1.00 0.00 C ATOM 697 O ILE A 44 -0.604 2.187 4.985 1.00 0.00 O ATOM 698 CB ILE A 44 -3.341 3.806 5.211 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.745 3.758 4.561 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.305 4.934 6.260 1.00 0.00 C ATOM 701 CD1 ILE A 44 -5.184 5.052 3.865 1.00 0.00 C ATOM 0 H ILE A 44 -2.291 2.038 3.295 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.005 4.923 3.931 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.206 2.832 5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.764 2.948 3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.476 3.511 5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.168 4.845 6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.390 4.856 6.847 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.332 5.900 5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.179 4.918 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.204 5.866 4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.481 5.293 3.068 1.00 0.00 H new ATOM 713 N PHE A 45 -0.058 4.290 5.524 1.00 0.00 N ATOM 714 CA PHE A 45 1.179 3.969 6.234 1.00 0.00 C ATOM 715 C PHE A 45 1.221 4.783 7.524 1.00 0.00 C ATOM 716 O PHE A 45 1.255 6.013 7.471 1.00 0.00 O ATOM 717 CB PHE A 45 2.384 4.278 5.340 1.00 0.00 C ATOM 718 CG PHE A 45 3.722 4.244 6.050 1.00 0.00 C ATOM 719 CD1 PHE A 45 4.158 3.070 6.696 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.531 5.397 6.073 1.00 0.00 C ATOM 721 CE1 PHE A 45 5.394 3.054 7.359 1.00 0.00 C ATOM 722 CE2 PHE A 45 5.768 5.382 6.742 1.00 0.00 C ATOM 723 CZ PHE A 45 6.198 4.206 7.380 1.00 0.00 C ATOM 0 H PHE A 45 -0.265 5.289 5.518 1.00 0.00 H new ATOM 0 HA PHE A 45 1.215 2.908 6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.405 3.560 4.520 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.248 5.265 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.541 2.184 6.681 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.200 6.296 5.575 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.728 2.154 7.854 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.384 6.269 6.765 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.151 4.188 7.889 1.00 0.00 H new ATOM 733 N ALA A 46 1.228 4.103 8.677 1.00 0.00 N ATOM 734 CA ALA A 46 1.252 4.716 10.006 1.00 0.00 C ATOM 735 C ALA A 46 0.185 5.816 10.123 1.00 0.00 C ATOM 736 O ALA A 46 0.470 6.933 10.565 1.00 0.00 O ATOM 737 CB ALA A 46 2.673 5.184 10.353 1.00 0.00 C ATOM 0 H ALA A 46 1.217 3.084 8.710 1.00 0.00 H new ATOM 0 HA ALA A 46 0.986 3.971 10.756 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.675 5.638 11.344 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.350 4.330 10.344 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.004 5.917 9.618 1.00 0.00 H new ATOM 743 N GLY A 47 -1.022 5.540 9.619 1.00 0.00 N ATOM 744 CA GLY A 47 -2.159 6.449 9.635 1.00 0.00 C ATOM 745 C GLY A 47 -2.141 7.496 8.521 1.00 0.00 C ATOM 746 O GLY A 47 -3.162 8.142 8.296 1.00 0.00 O ATOM 0 H GLY A 47 -1.235 4.647 9.175 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.077 5.866 9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.188 6.960 10.598 1.00 0.00 H new ATOM 750 N LYS A 48 -1.012 7.727 7.842 1.00 0.00 N ATOM 751 CA LYS A 48 -0.931 8.707 6.766 1.00 0.00 C ATOM 752 C LYS A 48 -1.494 8.059 5.514 1.00 0.00 C ATOM 753 O LYS A 48 -1.044 6.977 5.127 1.00 0.00 O ATOM 754 CB LYS A 48 0.519 9.180 6.566 1.00 0.00 C ATOM 755 CG LYS A 48 0.610 10.209 5.426 1.00 0.00 C ATOM 756 CD LYS A 48 1.905 11.030 5.436 1.00 0.00 C ATOM 757 CE LYS A 48 1.927 12.012 6.615 1.00 0.00 C ATOM 758 NZ LYS A 48 3.113 12.887 6.573 1.00 0.00 N ATOM 0 H LYS A 48 -0.135 7.240 8.026 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.511 9.597 7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.892 9.622 7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.157 8.325 6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.528 9.689 4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.240 10.888 5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.763 10.361 5.500 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.998 11.579 4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.024 12.622 6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.918 11.456 7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.094 13.537 7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.975 12.306 6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.108 13.436 5.690 1.00 0.00 H new ATOM 772 N GLN A 49 -2.493 8.687 4.901 1.00 0.00 N ATOM 773 CA GLN A 49 -3.103 8.171 3.688 1.00 0.00 C ATOM 774 C GLN A 49 -2.110 8.435 2.564 1.00 0.00 C ATOM 775 O GLN A 49 -1.551 9.534 2.499 1.00 0.00 O ATOM 776 CB GLN A 49 -4.455 8.839 3.383 1.00 0.00 C ATOM 777 CG GLN A 49 -5.434 8.879 4.571 1.00 0.00 C ATOM 778 CD GLN A 49 -5.107 9.949 5.609 1.00 0.00 C ATOM 779 OE1 GLN A 49 -4.339 10.878 5.353 1.00 0.00 O ATOM 780 NE2 GLN A 49 -5.634 9.794 6.808 1.00 0.00 N ATOM 0 H GLN A 49 -2.898 9.563 5.232 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.316 7.108 3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.273 9.859 3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.929 8.309 2.557 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.442 9.050 4.193 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.438 7.904 5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.267 9.015 6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.409 10.453 7.553 1.00 0.00 H new ATOM 789 N LEU A 50 -1.904 7.448 1.700 1.00 0.00 N ATOM 790 CA LEU A 50 -0.985 7.497 0.578 1.00 0.00 C ATOM 791 C LEU A 50 -1.758 7.434 -0.728 1.00 0.00 C ATOM 792 O LEU A 50 -2.897 6.953 -0.777 1.00 0.00 O ATOM 793 CB LEU A 50 0.005 6.318 0.605 1.00 0.00 C ATOM 794 CG LEU A 50 0.708 6.017 1.940 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.701 4.876 1.705 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.466 7.223 2.488 1.00 0.00 C ATOM 0 H LEU A 50 -2.395 6.557 1.768 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.430 8.432 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.531 5.420 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.773 6.505 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.054 5.751 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.214 4.642 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.165 3.994 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.432 5.178 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.943 6.955 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.227 7.531 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.770 8.045 2.654 1.00 0.00 H new ATOM 808 N GLU A 51 -1.142 7.948 -1.783 1.00 0.00 N ATOM 809 CA GLU A 51 -1.677 7.959 -3.130 1.00 0.00 C ATOM 810 C GLU A 51 -0.490 7.935 -4.099 1.00 0.00 C ATOM 811 O GLU A 51 0.666 8.059 -3.679 1.00 0.00 O ATOM 812 CB GLU A 51 -2.559 9.201 -3.343 1.00 0.00 C ATOM 813 CG GLU A 51 -1.845 10.532 -3.044 1.00 0.00 C ATOM 814 CD GLU A 51 -2.671 11.767 -3.413 1.00 0.00 C ATOM 815 OE1 GLU A 51 -2.058 12.810 -3.734 1.00 0.00 O ATOM 816 OE2 GLU A 51 -3.923 11.729 -3.356 1.00 0.00 O ATOM 0 H GLU A 51 -0.222 8.384 -1.718 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.310 7.089 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.910 9.212 -4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.441 9.122 -2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.600 10.573 -1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.902 10.559 -3.590 1.00 0.00 H new ATOM 823 N ASP A 52 -0.788 7.819 -5.394 1.00 0.00 N ATOM 824 CA ASP A 52 0.188 7.757 -6.468 1.00 0.00 C ATOM 825 C ASP A 52 0.773 9.128 -6.779 1.00 0.00 C ATOM 826 O ASP A 52 0.245 10.173 -6.394 1.00 0.00 O ATOM 827 CB ASP A 52 -0.314 6.960 -7.691 1.00 0.00 C ATOM 828 CG ASP A 52 -1.672 7.338 -8.286 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.642 6.560 -8.090 1.00 0.00 O ATOM 830 OD2 ASP A 52 -1.761 8.349 -9.015 1.00 0.00 O ATOM 0 H ASP A 52 -1.750 7.764 -5.729 1.00 0.00 H new ATOM 0 HA ASP A 52 1.034 7.168 -6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.433 7.052 -8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.354 5.907 -7.410 1.00 0.00 H new ATOM 835 N GLY A 53 1.935 9.094 -7.426 1.00 0.00 N ATOM 836 CA GLY A 53 2.725 10.246 -7.811 1.00 0.00 C ATOM 837 C GLY A 53 3.961 10.345 -6.918 1.00 0.00 C ATOM 838 O GLY A 53 4.977 10.869 -7.370 1.00 0.00 O ATOM 0 H GLY A 53 2.368 8.214 -7.707 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.025 10.161 -8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.128 11.154 -7.724 1.00 0.00 H new ATOM 842 N ARG A 54 3.906 9.845 -5.675 1.00 0.00 N ATOM 843 CA ARG A 54 5.046 9.871 -4.746 1.00 0.00 C ATOM 844 C ARG A 54 5.662 8.482 -4.582 1.00 0.00 C ATOM 845 O ARG A 54 5.044 7.487 -4.978 1.00 0.00 O ATOM 846 CB ARG A 54 4.656 10.534 -3.413 1.00 0.00 C ATOM 847 CG ARG A 54 4.658 12.065 -3.517 1.00 0.00 C ATOM 848 CD ARG A 54 4.472 12.704 -2.134 1.00 0.00 C ATOM 849 NE ARG A 54 3.786 14.000 -2.204 1.00 0.00 N ATOM 850 CZ ARG A 54 3.582 14.830 -1.178 1.00 0.00 C ATOM 851 NH1 ARG A 54 3.795 14.434 0.068 1.00 0.00 N ATOM 852 NH2 ARG A 54 3.186 16.071 -1.415 1.00 0.00 N ATOM 0 H ARG A 54 3.070 9.411 -5.285 1.00 0.00 H new ATOM 0 HA ARG A 54 5.831 10.493 -5.175 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.666 10.191 -3.112 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.352 10.221 -2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.597 12.403 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.859 12.390 -4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.901 12.028 -1.498 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.446 12.837 -1.664 1.00 0.00 H new ATOM 0 HE ARG A 54 3.435 14.292 -3.116 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.119 13.485 0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.635 15.078 0.842 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.040 16.385 -2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.027 16.713 -0.638 1.00 0.00 H new ATOM 866 N THR A 55 6.852 8.423 -3.983 1.00 0.00 N ATOM 867 CA THR A 55 7.631 7.216 -3.744 1.00 0.00 C ATOM 868 C THR A 55 7.830 6.975 -2.249 1.00 0.00 C ATOM 869 O THR A 55 7.528 7.843 -1.420 1.00 0.00 O ATOM 870 CB THR A 55 8.999 7.322 -4.456 1.00 0.00 C ATOM 871 OG1 THR A 55 9.820 8.366 -3.939 1.00 0.00 O ATOM 872 CG2 THR A 55 8.892 7.496 -5.972 1.00 0.00 C ATOM 0 H THR A 55 7.319 9.261 -3.635 1.00 0.00 H new ATOM 0 HA THR A 55 7.080 6.368 -4.150 1.00 0.00 H new ATOM 0 HB THR A 55 9.468 6.360 -4.249 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.348 9.222 -4.016 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.891 7.563 -6.402 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.369 6.641 -6.400 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.339 8.408 -6.195 1.00 0.00 H new ATOM 880 N LEU A 56 8.358 5.798 -1.896 1.00 0.00 N ATOM 881 CA LEU A 56 8.631 5.419 -0.511 1.00 0.00 C ATOM 882 C LEU A 56 9.472 6.471 0.212 1.00 0.00 C ATOM 883 O LEU A 56 9.173 6.789 1.361 1.00 0.00 O ATOM 884 CB LEU A 56 9.305 4.041 -0.414 1.00 0.00 C ATOM 885 CG LEU A 56 8.303 2.873 -0.371 1.00 0.00 C ATOM 886 CD1 LEU A 56 7.643 2.646 -1.729 1.00 0.00 C ATOM 887 CD2 LEU A 56 9.018 1.596 0.063 1.00 0.00 C ATOM 0 H LEU A 56 8.609 5.077 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 56 7.663 5.357 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.970 3.909 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.926 4.011 0.481 1.00 0.00 H new ATOM 0 HG LEU A 56 7.524 3.130 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.943 1.814 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.107 3.547 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.407 2.415 -2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.305 0.772 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.812 1.364 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.448 1.739 1.054 1.00 0.00 H new ATOM 899 N SER A 57 10.516 7.007 -0.428 1.00 0.00 N ATOM 900 CA SER A 57 11.390 8.015 0.171 1.00 0.00 C ATOM 901 C SER A 57 10.626 9.278 0.569 1.00 0.00 C ATOM 902 O SER A 57 10.892 9.852 1.625 1.00 0.00 O ATOM 903 CB SER A 57 12.501 8.405 -0.811 1.00 0.00 C ATOM 904 OG SER A 57 13.270 7.275 -1.154 1.00 0.00 O ATOM 0 H SER A 57 10.778 6.751 -1.380 1.00 0.00 H new ATOM 0 HA SER A 57 11.815 7.569 1.071 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.065 8.843 -1.709 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.140 9.166 -0.364 1.00 0.00 H new ATOM 0 HG SER A 57 12.738 6.677 -1.719 1.00 0.00 H new ATOM 910 N ASP A 58 9.655 9.701 -0.240 1.00 0.00 N ATOM 911 CA ASP A 58 8.868 10.906 0.020 1.00 0.00 C ATOM 912 C ASP A 58 8.090 10.749 1.317 1.00 0.00 C ATOM 913 O ASP A 58 8.140 11.616 2.197 1.00 0.00 O ATOM 914 CB ASP A 58 7.941 11.209 -1.159 1.00 0.00 C ATOM 915 CG ASP A 58 8.744 11.393 -2.434 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.537 10.612 -3.384 1.00 0.00 O ATOM 917 OD2 ASP A 58 9.636 12.280 -2.423 1.00 0.00 O ATOM 0 H ASP A 58 9.391 9.216 -1.097 1.00 0.00 H new ATOM 0 HA ASP A 58 9.543 11.755 0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.227 10.395 -1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.364 12.110 -0.953 1.00 0.00 H new ATOM 922 N TYR A 59 7.429 9.602 1.479 1.00 0.00 N ATOM 923 CA TYR A 59 6.645 9.270 2.665 1.00 0.00 C ATOM 924 C TYR A 59 7.534 8.723 3.802 1.00 0.00 C ATOM 925 O TYR A 59 7.027 8.416 4.881 1.00 0.00 O ATOM 926 CB TYR A 59 5.568 8.257 2.262 1.00 0.00 C ATOM 927 CG TYR A 59 4.528 8.792 1.291 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.590 9.754 1.717 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.436 8.269 -0.014 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.537 10.147 0.871 1.00 0.00 C ATOM 931 CE2 TYR A 59 3.395 8.670 -0.869 1.00 0.00 C ATOM 932 CZ TYR A 59 2.421 9.592 -0.424 1.00 0.00 C ATOM 933 OH TYR A 59 1.368 9.933 -1.225 1.00 0.00 O ATOM 0 H TYR A 59 7.425 8.865 0.774 1.00 0.00 H new ATOM 0 HA TYR A 59 6.175 10.173 3.053 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.053 7.390 1.813 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.061 7.908 3.162 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.680 10.192 2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.170 7.556 -0.359 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.815 10.875 1.212 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.339 8.271 -1.871 1.00 0.00 H new ATOM 0 HH TYR A 59 1.407 9.414 -2.056 1.00 0.00 H new ATOM 943 N ASN A 60 8.856 8.652 3.579 1.00 0.00 N ATOM 944 CA ASN A 60 9.889 8.172 4.495 1.00 0.00 C ATOM 945 C ASN A 60 9.570 6.758 4.998 1.00 0.00 C ATOM 946 O ASN A 60 9.696 6.458 6.185 1.00 0.00 O ATOM 947 CB ASN A 60 10.090 9.213 5.607 1.00 0.00 C ATOM 948 CG ASN A 60 11.181 8.864 6.608 1.00 0.00 C ATOM 949 OD1 ASN A 60 12.291 8.477 6.243 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.909 9.042 7.885 1.00 0.00 N ATOM 0 H ASN A 60 9.254 8.951 2.689 1.00 0.00 H new ATOM 0 HA ASN A 60 10.843 8.069 3.978 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.328 10.173 5.150 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.149 9.340 6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.624 8.859 8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.984 9.363 8.169 1.00 0.00 H new ATOM 957 N ILE A 61 9.189 5.874 4.076 1.00 0.00 N ATOM 958 CA ILE A 61 8.855 4.475 4.316 1.00 0.00 C ATOM 959 C ILE A 61 10.172 3.709 4.206 1.00 0.00 C ATOM 960 O ILE A 61 10.854 3.812 3.180 1.00 0.00 O ATOM 961 CB ILE A 61 7.828 3.992 3.258 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.482 4.728 3.416 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.580 2.477 3.362 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.535 4.613 2.217 1.00 0.00 C ATOM 0 H ILE A 61 9.101 6.130 3.093 1.00 0.00 H new ATOM 0 HA ILE A 61 8.398 4.319 5.293 1.00 0.00 H new ATOM 0 HB ILE A 61 8.255 4.217 2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.974 4.340 4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.682 5.783 3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.856 2.174 2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.517 1.943 3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.192 2.239 4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.617 5.163 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.016 5.030 1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.297 3.564 2.040 1.00 0.00 H new ATOM 976 N GLN A 62 10.556 2.975 5.251 1.00 0.00 N ATOM 977 CA GLN A 62 11.784 2.187 5.262 1.00 0.00 C ATOM 978 C GLN A 62 11.445 0.714 5.013 1.00 0.00 C ATOM 979 O GLN A 62 10.275 0.352 4.852 1.00 0.00 O ATOM 980 CB GLN A 62 12.563 2.416 6.572 1.00 0.00 C ATOM 981 CG GLN A 62 12.849 3.904 6.860 1.00 0.00 C ATOM 982 CD GLN A 62 13.466 4.625 5.666 1.00 0.00 C ATOM 983 OE1 GLN A 62 14.433 4.151 5.074 1.00 0.00 O ATOM 984 NE2 GLN A 62 12.922 5.757 5.256 1.00 0.00 N ATOM 0 H GLN A 62 10.020 2.912 6.116 1.00 0.00 H new ATOM 0 HA GLN A 62 12.444 2.510 4.457 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.996 1.995 7.402 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.508 1.874 6.524 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.920 4.401 7.139 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.522 3.982 7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.119 6.146 5.751 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.304 6.242 4.444 1.00 0.00 H new ATOM 993 N LYS A 63 12.473 -0.134 4.905 1.00 0.00 N ATOM 994 CA LYS A 63 12.285 -1.563 4.673 1.00 0.00 C ATOM 995 C LYS A 63 11.580 -2.213 5.860 1.00 0.00 C ATOM 996 O LYS A 63 11.590 -1.688 6.978 1.00 0.00 O ATOM 997 CB LYS A 63 13.603 -2.251 4.294 1.00 0.00 C ATOM 998 CG LYS A 63 14.570 -2.492 5.460 1.00 0.00 C ATOM 999 CD LYS A 63 15.886 -3.062 4.920 1.00 0.00 C ATOM 1000 CE LYS A 63 16.751 -3.588 6.064 1.00 0.00 C ATOM 1001 NZ LYS A 63 18.172 -3.698 5.676 1.00 0.00 N ATOM 0 H LYS A 63 13.450 0.151 4.976 1.00 0.00 H new ATOM 0 HA LYS A 63 11.629 -1.693 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.374 -3.210 3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.108 -1.644 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.756 -1.559 5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.128 -3.184 6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.678 -3.866 4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.427 -2.289 4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.660 -2.923 6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.384 -4.565 6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.725 -4.058 6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.263 -4.352 4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.531 -2.761 5.402 1.00 0.00 H new ATOM 1015 N GLU A 64 10.944 -3.347 5.594 1.00 0.00 N ATOM 1016 CA GLU A 64 10.193 -4.160 6.530 1.00 0.00 C ATOM 1017 C GLU A 64 9.094 -3.349 7.231 1.00 0.00 C ATOM 1018 O GLU A 64 8.832 -3.528 8.421 1.00 0.00 O ATOM 1019 CB GLU A 64 11.146 -4.930 7.466 1.00 0.00 C ATOM 1020 CG GLU A 64 11.795 -6.146 6.787 1.00 0.00 C ATOM 1021 CD GLU A 64 12.987 -5.804 5.893 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.806 -5.503 4.693 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.140 -5.957 6.359 1.00 0.00 O ATOM 0 H GLU A 64 10.942 -3.746 4.655 1.00 0.00 H new ATOM 0 HA GLU A 64 9.645 -4.929 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.927 -4.255 7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.594 -5.262 8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.121 -6.846 7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.042 -6.658 6.189 1.00 0.00 H new ATOM 1030 N SER A 65 8.465 -2.407 6.531 1.00 0.00 N ATOM 1031 CA SER A 65 7.378 -1.582 7.052 1.00 0.00 C ATOM 1032 C SER A 65 6.053 -2.342 6.852 1.00 0.00 C ATOM 1033 O SER A 65 6.011 -3.325 6.109 1.00 0.00 O ATOM 1034 CB SER A 65 7.392 -0.214 6.356 1.00 0.00 C ATOM 1035 OG SER A 65 7.702 -0.329 4.984 1.00 0.00 O ATOM 0 H SER A 65 8.703 -2.191 5.563 1.00 0.00 H new ATOM 0 HA SER A 65 7.499 -1.393 8.119 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.418 0.262 6.470 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.122 0.434 6.841 1.00 0.00 H new ATOM 0 HG SER A 65 8.673 -0.282 4.863 1.00 0.00 H new ATOM 1041 N THR A 66 4.978 -1.935 7.530 1.00 0.00 N ATOM 1042 CA THR A 66 3.662 -2.555 7.424 1.00 0.00 C ATOM 1043 C THR A 66 2.651 -1.464 7.080 1.00 0.00 C ATOM 1044 O THR A 66 2.415 -0.538 7.860 1.00 0.00 O ATOM 1045 CB THR A 66 3.297 -3.356 8.684 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.034 -4.562 8.730 1.00 0.00 O ATOM 1047 CG2 THR A 66 1.815 -3.746 8.674 1.00 0.00 C ATOM 0 H THR A 66 5.002 -1.149 8.180 1.00 0.00 H new ATOM 0 HA THR A 66 3.659 -3.296 6.625 1.00 0.00 H new ATOM 0 HB THR A 66 3.522 -2.722 9.542 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.793 -5.062 9.538 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.582 -4.312 9.576 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.202 -2.845 8.642 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.606 -4.359 7.797 1.00 0.00 H new ATOM 1055 N LEU A 67 2.063 -1.586 5.892 1.00 0.00 N ATOM 1056 CA LEU A 67 1.075 -0.663 5.363 1.00 0.00 C ATOM 1057 C LEU A 67 -0.313 -1.303 5.484 1.00 0.00 C ATOM 1058 O LEU A 67 -0.428 -2.513 5.686 1.00 0.00 O ATOM 1059 CB LEU A 67 1.451 -0.293 3.920 1.00 0.00 C ATOM 1060 CG LEU A 67 2.744 0.555 3.822 1.00 0.00 C ATOM 1061 CD1 LEU A 67 4.052 -0.245 3.934 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.766 1.291 2.486 1.00 0.00 C ATOM 0 H LEU A 67 2.271 -2.355 5.255 1.00 0.00 H new ATOM 0 HA LEU A 67 1.052 0.267 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.579 -1.207 3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.627 0.259 3.467 1.00 0.00 H new ATOM 0 HG LEU A 67 2.709 1.231 4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.901 0.433 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.085 -0.756 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.098 -0.981 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.675 1.888 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.743 0.567 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.896 1.944 2.416 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.371 -0.497 5.428 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.765 -0.926 5.534 1.00 0.00 C ATOM 1076 C HIS A 68 -3.525 -0.561 4.262 1.00 0.00 C ATOM 1077 O HIS A 68 -3.104 0.326 3.519 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.426 -0.296 6.767 1.00 0.00 C ATOM 1079 CG HIS A 68 -2.715 -0.586 8.065 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -1.512 -0.045 8.463 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -3.142 -1.427 9.057 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -1.191 -0.580 9.648 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -2.177 -1.397 10.072 1.00 0.00 N ATOM 0 H HIS A 68 -1.278 0.511 5.303 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.793 -2.009 5.652 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.476 0.784 6.627 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.452 -0.656 6.839 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.054 -2.006 9.057 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.275 -0.385 10.186 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.213 -1.897 10.960 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.654 -1.226 4.016 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.520 -1.016 2.857 1.00 0.00 C ATOM 1093 C LEU A 69 -6.937 -0.675 3.340 1.00 0.00 C ATOM 1094 O LEU A 69 -7.495 -1.458 4.120 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.430 -2.293 1.999 1.00 0.00 C ATOM 1096 CG LEU A 69 -4.097 -2.422 1.242 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -3.945 -3.847 0.694 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -4.010 -1.416 0.089 1.00 0.00 C ATOM 0 H LEU A 69 -5.003 -1.952 4.642 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.214 -0.173 2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.562 -3.164 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.250 -2.299 1.281 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.290 -2.208 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.999 -3.932 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.960 -4.558 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.768 -4.065 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.056 -1.534 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.825 -1.595 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.087 -0.403 0.484 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.523 0.459 2.925 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.866 0.897 3.339 1.00 0.00 C ATOM 1112 C VAL A 70 -9.696 1.548 2.214 1.00 0.00 C ATOM 1113 O VAL A 70 -9.187 1.897 1.144 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.751 1.885 4.533 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.841 1.389 5.666 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.237 3.262 4.093 1.00 0.00 C ATOM 0 H VAL A 70 -7.070 1.108 2.282 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.400 -0.009 3.628 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.770 1.958 4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.812 2.133 6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.230 0.450 6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.834 1.231 5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.172 3.920 4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.250 3.155 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.923 3.690 3.363 1.00 0.00 H new ATOM 1126 N LEU A 71 -10.981 1.765 2.507 1.00 0.00 N ATOM 1127 CA LEU A 71 -12.003 2.389 1.667 1.00 0.00 C ATOM 1128 C LEU A 71 -12.892 3.257 2.558 1.00 0.00 C ATOM 1129 O LEU A 71 -12.559 3.481 3.727 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.832 1.335 0.898 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.863 0.514 1.715 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -14.718 -0.333 0.770 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -13.209 -0.406 2.750 1.00 0.00 C ATOM 0 H LEU A 71 -11.363 1.486 3.411 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.522 3.009 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.365 1.844 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.139 0.637 0.428 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.478 1.234 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.440 -0.908 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.247 0.319 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.077 -1.015 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.982 -0.954 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.550 -1.112 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.630 0.192 3.454 1.00 0.00 H new ATOM 1145 N ARG A 72 -14.008 3.769 2.035 1.00 0.00 N ATOM 1146 CA ARG A 72 -14.966 4.572 2.781 1.00 0.00 C ATOM 1147 C ARG A 72 -16.274 4.435 2.006 1.00 0.00 C ATOM 1148 O ARG A 72 -16.277 4.685 0.803 1.00 0.00 O ATOM 1149 CB ARG A 72 -14.466 6.032 2.857 1.00 0.00 C ATOM 1150 CG ARG A 72 -15.016 6.810 4.059 1.00 0.00 C ATOM 1151 CD ARG A 72 -14.387 6.375 5.390 1.00 0.00 C ATOM 1152 NE ARG A 72 -15.238 6.774 6.522 1.00 0.00 N ATOM 1153 CZ ARG A 72 -15.324 6.178 7.715 1.00 0.00 C ATOM 1154 NH1 ARG A 72 -14.542 5.152 8.025 1.00 0.00 N ATOM 1155 NH2 ARG A 72 -16.200 6.624 8.599 1.00 0.00 N ATOM 0 H ARG A 72 -14.272 3.631 1.060 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.099 4.249 3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -13.377 6.032 2.903 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.746 6.551 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -14.837 7.875 3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.096 6.673 4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.248 5.294 5.396 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -13.399 6.824 5.495 1.00 0.00 H new ATOM 0 HE ARG A 72 -15.826 7.595 6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.862 4.806 7.348 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.621 4.709 8.940 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.801 7.415 8.367 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.275 6.177 9.513 1.00 0.00 H new ATOM 1169 N LEU A 73 -17.378 4.085 2.667 1.00 0.00 N ATOM 1170 CA LEU A 73 -18.693 3.902 2.047 1.00 0.00 C ATOM 1171 C LEU A 73 -19.770 4.243 3.068 1.00 0.00 C ATOM 1172 O LEU A 73 -19.583 4.022 4.270 1.00 0.00 O ATOM 1173 CB LEU A 73 -18.898 2.461 1.525 1.00 0.00 C ATOM 1174 CG LEU A 73 -18.099 2.093 0.253 1.00 0.00 C ATOM 1175 CD1 LEU A 73 -18.328 0.621 -0.114 1.00 0.00 C ATOM 1176 CD2 LEU A 73 -18.485 2.951 -0.961 1.00 0.00 C ATOM 0 H LEU A 73 -17.384 3.917 3.673 1.00 0.00 H new ATOM 0 HA LEU A 73 -18.759 4.566 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.626 1.764 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -19.959 2.314 1.322 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.051 2.279 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.759 0.377 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.999 -0.014 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.389 0.453 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.892 2.648 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -19.544 2.814 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -18.294 4.001 -0.740 1.00 0.00 H new ATOM 1188 N ARG A 74 -20.852 4.878 2.622 1.00 0.00 N ATOM 1189 CA ARG A 74 -21.989 5.273 3.454 1.00 0.00 C ATOM 1190 C ARG A 74 -23.157 4.305 3.299 1.00 0.00 C ATOM 1191 O ARG A 74 -23.930 4.151 4.245 1.00 0.00 O ATOM 1192 CB ARG A 74 -22.470 6.674 3.040 1.00 0.00 C ATOM 1193 CG ARG A 74 -21.486 7.808 3.360 1.00 0.00 C ATOM 1194 CD ARG A 74 -21.324 8.051 4.867 1.00 0.00 C ATOM 1195 NE ARG A 74 -22.585 8.504 5.476 1.00 0.00 N ATOM 1196 CZ ARG A 74 -23.030 9.761 5.535 1.00 0.00 C ATOM 1197 NH1 ARG A 74 -22.269 10.766 5.130 1.00 0.00 N ATOM 1198 NH2 ARG A 74 -24.242 10.004 5.996 1.00 0.00 N ATOM 0 H ARG A 74 -20.966 5.140 1.643 1.00 0.00 H new ATOM 0 HA ARG A 74 -21.656 5.266 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -22.668 6.674 1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -23.417 6.881 3.539 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -20.513 7.571 2.929 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -21.830 8.726 2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.993 7.132 5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.548 8.798 5.035 1.00 0.00 H new ATOM 0 HE ARG A 74 -23.177 7.787 5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.333 10.583 4.769 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -22.619 11.723 5.179 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -24.834 9.233 6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -24.587 10.963 6.043 1.00 0.00 H new ATOM 1212 N GLY A 75 -23.270 3.610 2.167 1.00 0.00 N ATOM 1213 CA GLY A 75 -24.358 2.674 1.910 1.00 0.00 C ATOM 1214 C GLY A 75 -24.171 1.291 2.538 1.00 0.00 C ATOM 1215 O GLY A 75 -24.809 0.340 2.089 1.00 0.00 O ATOM 0 H GLY A 75 -22.603 3.683 1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -25.287 3.105 2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -24.472 2.557 0.832 1.00 0.00 H new ATOM 1219 N GLY A 76 -23.303 1.112 3.531 1.00 0.00 N ATOM 1220 CA GLY A 76 -23.080 -0.169 4.182 1.00 0.00 C ATOM 1221 C GLY A 76 -21.834 -0.049 5.015 1.00 0.00 C ATOM 1222 O GLY A 76 -20.985 -0.953 4.907 1.00 0.00 O ATOM 0 H GLY A 76 -22.729 1.866 3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -23.933 -0.434 4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.969 -0.960 3.441 1.00 0.00 H new TER 1226 GLY A 76