USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 817 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 34 HIS :FLIP no HE2:sc= -7.96! C(o=-15!,f=-15!) USER MOD Set 1.2: A 106 ASN : amide:sc= -6.65! C(o=-15!,f=-26!) USER MOD Set 2.1: A 64 CYS SG : rot 101:sc= -5.78! USER MOD Set 2.2: A 70 THR OG1 : rot -77:sc= -1.69! USER MOD Set 3.1: A 30 TYR OH : rot -30:sc= -0.067 USER MOD Set 3.2: A 63 HIS : no HD1:sc= -8.3! C(o=-8.4!,f=-16!) USER MOD Set 4.1: A 20 LYS NZ :NH3+ 151:sc= -1.08 (180deg=-0.185) USER MOD Set 4.2: A 57 HIS : no HE2:sc= -2.89! C(o=-4!,f=-8.3!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.044 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 9 HIS : no HD1:sc= -0.788 X(o=-0.79,f=-0.35) USER MOD Single : A 12 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.227) USER MOD Single : A 59 GLN : amide:sc= -0.91 K(o=-0.91,f=-3.2!) USER MOD Single : A 65 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.7) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 73 ASN : amide:sc= -2.56 X(o=-2.6,f=-2.7!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 3 7.817 -1.451 11.350 1.00 0.00 N ATOM 29 CA LEU A 3 7.272 -0.703 10.222 1.00 0.00 C ATOM 30 C LEU A 3 7.863 0.703 10.180 1.00 0.00 C ATOM 31 O LEU A 3 7.820 1.435 11.169 1.00 0.00 O ATOM 32 CB LEU A 3 5.749 -0.617 10.340 1.00 0.00 C ATOM 33 CG LEU A 3 5.376 0.273 11.527 1.00 0.00 C ATOM 34 CD1 LEU A 3 5.060 1.684 11.028 1.00 0.00 C ATOM 35 CD2 LEU A 3 4.145 -0.304 12.230 1.00 0.00 C ATOM 0 HA LEU A 3 7.535 -1.224 9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.325 -0.212 9.421 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.328 -1.613 10.473 1.00 0.00 H new ATOM 0 HG LEU A 3 6.211 0.313 12.227 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.794 2.318 11.874 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.935 2.097 10.526 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.225 1.644 10.328 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.879 0.330 13.076 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.311 -0.343 11.529 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.367 -1.310 12.586 1.00 0.00 H new ATOM 47 N THR A 4 8.416 1.073 9.029 1.00 0.00 N ATOM 48 CA THR A 4 9.013 2.393 8.871 1.00 0.00 C ATOM 49 C THR A 4 8.354 3.145 7.720 1.00 0.00 C ATOM 50 O THR A 4 7.757 2.538 6.830 1.00 0.00 O ATOM 51 CB THR A 4 10.513 2.261 8.602 1.00 0.00 C ATOM 52 OG1 THR A 4 11.072 1.314 9.502 1.00 0.00 O ATOM 53 CG2 THR A 4 11.188 3.619 8.799 1.00 0.00 C ATOM 0 H THR A 4 8.463 0.482 8.199 1.00 0.00 H new ATOM 0 HA THR A 4 8.857 2.953 9.793 1.00 0.00 H new ATOM 0 HB THR A 4 10.672 1.925 7.577 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.033 1.227 9.330 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.257 3.525 8.607 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.757 4.343 8.107 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.031 3.958 9.823 1.00 0.00 H new ATOM 61 N THR A 5 8.470 4.469 7.741 1.00 0.00 N ATOM 62 CA THR A 5 7.884 5.294 6.691 1.00 0.00 C ATOM 63 C THR A 5 8.864 5.456 5.537 1.00 0.00 C ATOM 64 O THR A 5 10.075 5.544 5.747 1.00 0.00 O ATOM 65 CB THR A 5 7.513 6.669 7.249 1.00 0.00 C ATOM 66 OG1 THR A 5 8.519 7.098 8.157 1.00 0.00 O ATOM 67 CG2 THR A 5 6.169 6.585 7.973 1.00 0.00 C ATOM 0 H THR A 5 8.961 4.990 8.468 1.00 0.00 H new ATOM 0 HA THR A 5 6.984 4.801 6.324 1.00 0.00 H new ATOM 0 HB THR A 5 7.435 7.384 6.430 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.283 7.980 8.514 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.907 7.566 8.369 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.399 6.259 7.274 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.241 5.870 8.793 1.00 0.00 H new ATOM 75 N ILE A 6 8.339 5.494 4.318 1.00 0.00 N ATOM 76 CA ILE A 6 9.189 5.647 3.145 1.00 0.00 C ATOM 77 C ILE A 6 8.587 6.644 2.163 1.00 0.00 C ATOM 78 O ILE A 6 7.406 6.981 2.244 1.00 0.00 O ATOM 79 CB ILE A 6 9.390 4.281 2.461 1.00 0.00 C ATOM 80 CG1 ILE A 6 10.886 3.978 2.377 1.00 0.00 C ATOM 81 CG2 ILE A 6 8.798 4.290 1.046 1.00 0.00 C ATOM 82 CD1 ILE A 6 11.092 2.531 1.928 1.00 0.00 C ATOM 0 H ILE A 6 7.341 5.422 4.118 1.00 0.00 H new ATOM 0 HA ILE A 6 10.156 6.031 3.468 1.00 0.00 H new ATOM 0 HB ILE A 6 8.881 3.517 3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.366 4.659 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.355 4.138 3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.951 3.316 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 6 7.730 4.503 1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.291 5.058 0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.159 2.317 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.626 1.857 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.638 2.386 0.948 1.00 0.00 H new ATOM 94 N SER A 7 9.413 7.100 1.230 1.00 0.00 N ATOM 95 CA SER A 7 8.961 8.049 0.221 1.00 0.00 C ATOM 96 C SER A 7 8.762 7.331 -1.112 1.00 0.00 C ATOM 97 O SER A 7 9.566 6.479 -1.490 1.00 0.00 O ATOM 98 CB SER A 7 9.991 9.167 0.055 1.00 0.00 C ATOM 99 OG SER A 7 9.667 9.937 -1.095 1.00 0.00 O ATOM 0 H SER A 7 10.393 6.830 1.151 1.00 0.00 H new ATOM 0 HA SER A 7 8.014 8.482 0.542 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.001 9.802 0.941 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.991 8.744 -0.046 1.00 0.00 H new ATOM 0 HG SER A 7 10.324 10.656 -1.203 1.00 0.00 H new ATOM 105 N PRO A 8 7.716 7.651 -1.824 1.00 0.00 N ATOM 106 CA PRO A 8 7.416 7.018 -3.134 1.00 0.00 C ATOM 107 C PRO A 8 8.682 6.770 -3.948 1.00 0.00 C ATOM 108 O PRO A 8 8.677 5.993 -4.904 1.00 0.00 O ATOM 109 CB PRO A 8 6.507 8.035 -3.817 1.00 0.00 C ATOM 110 CG PRO A 8 5.816 8.765 -2.709 1.00 0.00 C ATOM 111 CD PRO A 8 6.704 8.657 -1.465 1.00 0.00 C ATOM 0 HA PRO A 8 6.956 6.036 -3.029 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.083 8.720 -4.439 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.787 7.541 -4.470 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.657 9.809 -2.978 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.834 8.332 -2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.164 9.614 -1.221 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.129 8.348 -0.592 1.00 0.00 H new ATOM 119 N HIS A 9 9.762 7.438 -3.561 1.00 0.00 N ATOM 120 CA HIS A 9 11.036 7.293 -4.256 1.00 0.00 C ATOM 121 C HIS A 9 11.709 5.972 -3.892 1.00 0.00 C ATOM 122 O HIS A 9 12.354 5.344 -4.732 1.00 0.00 O ATOM 123 CB HIS A 9 11.962 8.454 -3.894 1.00 0.00 C ATOM 124 CG HIS A 9 11.359 9.744 -4.374 1.00 0.00 C ATOM 125 ND1 HIS A 9 12.086 10.923 -4.432 1.00 0.00 N ATOM 126 CD2 HIS A 9 10.098 10.058 -4.820 1.00 0.00 C ATOM 127 CE1 HIS A 9 11.265 11.883 -4.896 1.00 0.00 C ATOM 128 NE2 HIS A 9 10.042 11.410 -5.149 1.00 0.00 N ATOM 0 H HIS A 9 9.782 8.084 -2.772 1.00 0.00 H new ATOM 0 HA HIS A 9 10.841 7.300 -5.328 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.113 8.490 -2.815 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.942 8.307 -4.348 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.276 9.363 -4.903 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.559 12.911 -5.046 1.00 0.00 H new ATOM 0 HE2 HIS A 9 9.239 11.928 -5.506 1.00 0.00 H new ATOM 136 N ASP A 10 11.560 5.553 -2.638 1.00 0.00 N ATOM 137 CA ASP A 10 12.166 4.304 -2.192 1.00 0.00 C ATOM 138 C ASP A 10 11.370 3.112 -2.705 1.00 0.00 C ATOM 139 O ASP A 10 11.918 2.217 -3.350 1.00 0.00 O ATOM 140 CB ASP A 10 12.220 4.262 -0.664 1.00 0.00 C ATOM 141 CG ASP A 10 13.526 3.622 -0.206 1.00 0.00 C ATOM 142 OD1 ASP A 10 13.782 2.497 -0.602 1.00 0.00 O ATOM 143 OD2 ASP A 10 14.250 4.266 0.534 1.00 0.00 O ATOM 0 H ASP A 10 11.032 6.053 -1.922 1.00 0.00 H new ATOM 0 HA ASP A 10 13.179 4.252 -2.591 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.139 5.272 -0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.373 3.696 -0.277 1.00 0.00 H new ATOM 148 N ALA A 11 10.072 3.107 -2.420 1.00 0.00 N ATOM 149 CA ALA A 11 9.208 2.021 -2.860 1.00 0.00 C ATOM 150 C ALA A 11 9.439 1.721 -4.338 1.00 0.00 C ATOM 151 O ALA A 11 9.575 0.562 -4.732 1.00 0.00 O ATOM 152 CB ALA A 11 7.742 2.396 -2.634 1.00 0.00 C ATOM 0 H ALA A 11 9.599 3.839 -1.890 1.00 0.00 H new ATOM 0 HA ALA A 11 9.447 1.131 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.102 1.578 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.573 2.581 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.505 3.296 -3.202 1.00 0.00 H new ATOM 158 N GLN A 12 9.490 2.772 -5.152 1.00 0.00 N ATOM 159 CA GLN A 12 9.713 2.605 -6.583 1.00 0.00 C ATOM 160 C GLN A 12 10.914 1.700 -6.828 1.00 0.00 C ATOM 161 O GLN A 12 10.856 0.778 -7.642 1.00 0.00 O ATOM 162 CB GLN A 12 9.955 3.966 -7.240 1.00 0.00 C ATOM 163 CG GLN A 12 9.720 3.854 -8.748 1.00 0.00 C ATOM 164 CD GLN A 12 10.331 5.056 -9.463 1.00 0.00 C ATOM 165 OE1 GLN A 12 10.575 6.147 -8.792 1.00 0.00 O flip ATOM 166 NE2 GLN A 12 10.590 4.998 -10.665 1.00 0.00 N flip ATOM 0 H GLN A 12 9.381 3.739 -4.848 1.00 0.00 H new ATOM 0 HA GLN A 12 8.826 2.147 -7.021 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.286 4.713 -6.812 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.974 4.300 -7.044 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.163 2.932 -9.126 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.651 3.802 -8.955 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.398 4.143 -11.187 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.997 5.805 -11.139 1.00 0.00 H new ATOM 175 N GLU A 13 12.002 1.969 -6.114 1.00 0.00 N ATOM 176 CA GLU A 13 13.214 1.172 -6.256 1.00 0.00 C ATOM 177 C GLU A 13 12.924 -0.290 -5.930 1.00 0.00 C ATOM 178 O GLU A 13 13.392 -1.194 -6.621 1.00 0.00 O ATOM 179 CB GLU A 13 14.301 1.703 -5.321 1.00 0.00 C ATOM 180 CG GLU A 13 14.645 3.143 -5.707 1.00 0.00 C ATOM 181 CD GLU A 13 16.110 3.431 -5.395 1.00 0.00 C ATOM 182 OE1 GLU A 13 16.956 2.725 -5.916 1.00 0.00 O ATOM 183 OE2 GLU A 13 16.362 4.355 -4.639 1.00 0.00 O ATOM 0 H GLU A 13 12.069 2.728 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 13 13.561 1.244 -7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.958 1.664 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.190 1.075 -5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.453 3.299 -6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.005 3.837 -5.162 1.00 0.00 H new ATOM 190 N LEU A 14 12.144 -0.512 -4.877 1.00 0.00 N ATOM 191 CA LEU A 14 11.793 -1.869 -4.475 1.00 0.00 C ATOM 192 C LEU A 14 10.881 -2.503 -5.517 1.00 0.00 C ATOM 193 O LEU A 14 11.064 -3.659 -5.898 1.00 0.00 O ATOM 194 CB LEU A 14 11.082 -1.854 -3.122 1.00 0.00 C ATOM 195 CG LEU A 14 11.728 -0.810 -2.212 1.00 0.00 C ATOM 196 CD1 LEU A 14 11.137 -0.931 -0.808 1.00 0.00 C ATOM 197 CD2 LEU A 14 13.239 -1.046 -2.151 1.00 0.00 C ATOM 0 H LEU A 14 11.746 0.223 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 14 12.710 -2.453 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.025 -1.627 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.139 -2.839 -2.659 1.00 0.00 H new ATOM 0 HG LEU A 14 11.535 0.187 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.595 -0.188 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.061 -0.763 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.333 -1.929 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.698 -0.300 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.436 -2.042 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.661 -0.963 -3.153 1.00 0.00 H new ATOM 209 N ILE A 15 9.902 -1.732 -5.981 1.00 0.00 N ATOM 210 CA ILE A 15 8.972 -2.224 -6.987 1.00 0.00 C ATOM 211 C ILE A 15 9.740 -2.883 -8.122 1.00 0.00 C ATOM 212 O ILE A 15 9.205 -3.720 -8.851 1.00 0.00 O ATOM 213 CB ILE A 15 8.144 -1.064 -7.541 1.00 0.00 C ATOM 214 CG1 ILE A 15 7.142 -0.597 -6.482 1.00 0.00 C ATOM 215 CG2 ILE A 15 7.388 -1.524 -8.788 1.00 0.00 C ATOM 216 CD1 ILE A 15 6.371 0.615 -7.009 1.00 0.00 C ATOM 0 H ILE A 15 9.734 -0.772 -5.678 1.00 0.00 H new ATOM 0 HA ILE A 15 8.308 -2.955 -6.527 1.00 0.00 H new ATOM 0 HB ILE A 15 8.808 -0.240 -7.802 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.451 -1.404 -6.239 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.664 -0.337 -5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.798 -0.696 -9.182 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.100 -1.854 -9.544 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.726 -2.350 -8.528 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.657 0.948 -6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.069 1.423 -7.230 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.837 0.339 -7.918 1.00 0.00 H new ATOM 228 N ALA A 16 11.002 -2.496 -8.264 1.00 0.00 N ATOM 229 CA ALA A 16 11.850 -3.052 -9.310 1.00 0.00 C ATOM 230 C ALA A 16 12.494 -4.353 -8.840 1.00 0.00 C ATOM 231 O ALA A 16 12.815 -5.225 -9.647 1.00 0.00 O ATOM 232 CB ALA A 16 12.939 -2.044 -9.688 1.00 0.00 C ATOM 0 H ALA A 16 11.459 -1.803 -7.671 1.00 0.00 H new ATOM 0 HA ALA A 16 11.232 -3.262 -10.183 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.570 -2.466 -10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.476 -1.127 -10.051 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.548 -1.821 -8.812 1.00 0.00 H new ATOM 238 N ARG A 17 12.682 -4.474 -7.529 1.00 0.00 N ATOM 239 CA ARG A 17 13.290 -5.671 -6.959 1.00 0.00 C ATOM 240 C ARG A 17 12.260 -6.789 -6.820 1.00 0.00 C ATOM 241 O ARG A 17 12.556 -7.954 -7.087 1.00 0.00 O ATOM 242 CB ARG A 17 13.889 -5.351 -5.587 1.00 0.00 C ATOM 243 CG ARG A 17 15.015 -6.341 -5.277 1.00 0.00 C ATOM 244 CD ARG A 17 15.241 -6.403 -3.766 1.00 0.00 C ATOM 245 NE ARG A 17 15.351 -5.057 -3.216 1.00 0.00 N ATOM 246 CZ ARG A 17 16.464 -4.346 -3.357 1.00 0.00 C ATOM 247 NH1 ARG A 17 17.482 -4.849 -4.000 1.00 0.00 N ATOM 248 NH2 ARG A 17 16.537 -3.144 -2.853 1.00 0.00 N ATOM 0 H ARG A 17 12.424 -3.762 -6.845 1.00 0.00 H new ATOM 0 HA ARG A 17 14.080 -6.006 -7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.274 -4.331 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.118 -5.409 -4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.759 -7.330 -5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.932 -6.034 -5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.416 -6.932 -3.289 1.00 0.00 H new ATOM 0 HD3 ARG A 17 16.148 -6.967 -3.550 1.00 0.00 H new ATOM 0 HE ARG A 17 14.559 -4.654 -2.714 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.423 -5.788 -4.394 1.00 0.00 H new ATOM 0 HH12 ARG A 17 18.337 -4.303 -4.108 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.740 -2.752 -2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.391 -2.597 -2.961 1.00 0.00 H new ATOM 262 N GLY A 18 11.049 -6.428 -6.402 1.00 0.00 N ATOM 263 CA GLY A 18 9.987 -7.414 -6.235 1.00 0.00 C ATOM 264 C GLY A 18 9.019 -7.003 -5.129 1.00 0.00 C ATOM 265 O GLY A 18 7.946 -7.589 -4.986 1.00 0.00 O ATOM 0 H GLY A 18 10.781 -5.470 -6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.444 -7.529 -7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.423 -8.385 -5.998 1.00 0.00 H new ATOM 269 N ALA A 19 9.404 -5.995 -4.352 1.00 0.00 N ATOM 270 CA ALA A 19 8.560 -5.516 -3.262 1.00 0.00 C ATOM 271 C ALA A 19 7.089 -5.792 -3.558 1.00 0.00 C ATOM 272 O ALA A 19 6.651 -5.721 -4.707 1.00 0.00 O ATOM 273 CB ALA A 19 8.770 -4.013 -3.064 1.00 0.00 C ATOM 0 H ALA A 19 10.288 -5.497 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 19 8.839 -6.047 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.137 -3.661 -2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.815 -3.821 -2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.508 -3.485 -3.981 1.00 0.00 H new ATOM 279 N LYS A 20 6.330 -6.111 -2.513 1.00 0.00 N ATOM 280 CA LYS A 20 4.909 -6.396 -2.673 1.00 0.00 C ATOM 281 C LYS A 20 4.067 -5.203 -2.236 1.00 0.00 C ATOM 282 O LYS A 20 3.809 -5.016 -1.047 1.00 0.00 O ATOM 283 CB LYS A 20 4.527 -7.622 -1.839 1.00 0.00 C ATOM 284 CG LYS A 20 4.617 -8.888 -2.698 1.00 0.00 C ATOM 285 CD LYS A 20 3.216 -9.290 -3.164 1.00 0.00 C ATOM 286 CE LYS A 20 3.260 -10.694 -3.767 1.00 0.00 C ATOM 287 NZ LYS A 20 4.126 -10.689 -4.979 1.00 0.00 N ATOM 0 H LYS A 20 6.672 -6.178 -1.554 1.00 0.00 H new ATOM 0 HA LYS A 20 4.716 -6.595 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.191 -7.708 -0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.515 -7.507 -1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.261 -8.711 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.067 -9.698 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.521 -9.265 -2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.849 -8.577 -3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.646 -11.404 -3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.253 -11.021 -4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.555 -11.628 -5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.552 -10.457 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.877 -9.978 -4.866 1.00 0.00 H new ATOM 301 N LEU A 21 3.636 -4.403 -3.205 1.00 0.00 N ATOM 302 CA LEU A 21 2.816 -3.235 -2.910 1.00 0.00 C ATOM 303 C LEU A 21 1.350 -3.638 -2.801 1.00 0.00 C ATOM 304 O LEU A 21 0.830 -4.355 -3.657 1.00 0.00 O ATOM 305 CB LEU A 21 2.981 -2.187 -4.013 1.00 0.00 C ATOM 306 CG LEU A 21 3.323 -0.834 -3.389 1.00 0.00 C ATOM 307 CD1 LEU A 21 3.658 0.167 -4.495 1.00 0.00 C ATOM 308 CD2 LEU A 21 2.122 -0.326 -2.588 1.00 0.00 C ATOM 0 H LEU A 21 3.839 -4.541 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 21 3.141 -2.810 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.769 -2.491 -4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.062 -2.109 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 21 4.182 -0.945 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.902 1.132 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.512 -0.195 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.799 0.279 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.364 0.639 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.264 -0.215 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.882 -1.040 -1.800 1.00 0.00 H new ATOM 320 N ILE A 22 0.689 -3.188 -1.741 1.00 0.00 N ATOM 321 CA ILE A 22 -0.714 -3.527 -1.538 1.00 0.00 C ATOM 322 C ILE A 22 -1.546 -2.292 -1.213 1.00 0.00 C ATOM 323 O ILE A 22 -1.113 -1.415 -0.465 1.00 0.00 O ATOM 324 CB ILE A 22 -0.844 -4.529 -0.391 1.00 0.00 C ATOM 325 CG1 ILE A 22 0.255 -5.587 -0.507 1.00 0.00 C ATOM 326 CG2 ILE A 22 -2.213 -5.207 -0.456 1.00 0.00 C ATOM 327 CD1 ILE A 22 -0.079 -6.773 0.401 1.00 0.00 C ATOM 0 H ILE A 22 1.095 -2.595 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.087 -3.963 -2.465 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.743 -4.005 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.345 -5.921 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.217 -5.159 -0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.305 -5.921 0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.996 -4.454 -0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.315 -5.730 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.704 -7.527 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.147 -6.432 1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.032 -7.206 0.098 1.00 0.00 H new ATOM 339 N ASP A 23 -2.753 -2.243 -1.764 1.00 0.00 N ATOM 340 CA ASP A 23 -3.656 -1.128 -1.512 1.00 0.00 C ATOM 341 C ASP A 23 -4.706 -1.551 -0.491 1.00 0.00 C ATOM 342 O ASP A 23 -5.240 -2.658 -0.564 1.00 0.00 O ATOM 343 CB ASP A 23 -4.340 -0.695 -2.811 1.00 0.00 C ATOM 344 CG ASP A 23 -4.510 0.821 -2.831 1.00 0.00 C ATOM 345 OD1 ASP A 23 -3.508 1.511 -2.731 1.00 0.00 O ATOM 346 OD2 ASP A 23 -5.638 1.270 -2.946 1.00 0.00 O ATOM 0 H ASP A 23 -3.127 -2.960 -2.386 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.084 -0.286 -1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.747 -1.014 -3.668 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.312 -1.179 -2.899 1.00 0.00 H new ATOM 351 N ILE A 24 -4.992 -0.677 0.466 1.00 0.00 N ATOM 352 CA ILE A 24 -5.972 -0.996 1.495 1.00 0.00 C ATOM 353 C ILE A 24 -6.886 0.197 1.759 1.00 0.00 C ATOM 354 O ILE A 24 -6.658 0.990 2.672 1.00 0.00 O ATOM 355 CB ILE A 24 -5.253 -1.413 2.779 1.00 0.00 C ATOM 356 CG1 ILE A 24 -4.416 -0.244 3.309 1.00 0.00 C ATOM 357 CG2 ILE A 24 -4.335 -2.600 2.478 1.00 0.00 C ATOM 358 CD1 ILE A 24 -4.902 0.145 4.707 1.00 0.00 C ATOM 0 H ILE A 24 -4.566 0.246 0.551 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.590 -1.824 1.147 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.989 -1.696 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.363 -0.524 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.497 0.609 2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.820 -2.902 3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.929 -3.434 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.601 -2.311 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.305 0.977 5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.949 0.443 4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.798 -0.707 5.378 1.00 0.00 H new ATOM 370 N ARG A 25 -7.921 0.311 0.941 1.00 0.00 N ATOM 371 CA ARG A 25 -8.881 1.402 1.066 1.00 0.00 C ATOM 372 C ARG A 25 -10.175 1.042 0.350 1.00 0.00 C ATOM 373 O ARG A 25 -10.664 -0.082 0.458 1.00 0.00 O ATOM 374 CB ARG A 25 -8.297 2.681 0.461 1.00 0.00 C ATOM 375 CG ARG A 25 -8.942 3.904 1.119 1.00 0.00 C ATOM 376 CD ARG A 25 -8.523 3.975 2.588 1.00 0.00 C ATOM 377 NE ARG A 25 -8.404 5.365 3.015 1.00 0.00 N ATOM 378 CZ ARG A 25 -9.465 6.052 3.432 1.00 0.00 C ATOM 379 NH1 ARG A 25 -10.639 5.483 3.459 1.00 0.00 N ATOM 380 NH2 ARG A 25 -9.333 7.293 3.814 1.00 0.00 N ATOM 0 H ARG A 25 -8.120 -0.339 0.181 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.092 1.567 2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.217 2.704 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.473 2.699 -0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.638 4.812 0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.027 3.841 1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.256 3.459 3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.571 3.462 2.727 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.491 5.819 2.994 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.743 4.513 3.161 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.453 6.008 3.778 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.415 7.738 3.793 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.147 7.818 4.133 1.00 0.00 H new ATOM 394 N ASP A 26 -10.720 2.000 -0.385 1.00 0.00 N ATOM 395 CA ASP A 26 -11.956 1.771 -1.123 1.00 0.00 C ATOM 396 C ASP A 26 -11.656 1.562 -2.602 1.00 0.00 C ATOM 397 O ASP A 26 -11.241 2.489 -3.297 1.00 0.00 O ATOM 398 CB ASP A 26 -12.900 2.963 -0.955 1.00 0.00 C ATOM 399 CG ASP A 26 -14.334 2.532 -1.243 1.00 0.00 C ATOM 400 OD1 ASP A 26 -14.524 1.386 -1.613 1.00 0.00 O ATOM 401 OD2 ASP A 26 -15.222 3.355 -1.088 1.00 0.00 O ATOM 0 H ASP A 26 -10.330 2.937 -0.487 1.00 0.00 H new ATOM 0 HA ASP A 26 -12.435 0.876 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.826 3.357 0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.609 3.767 -1.632 1.00 0.00 H new ATOM 406 N ALA A 27 -11.863 0.339 -3.077 1.00 0.00 N ATOM 407 CA ALA A 27 -11.606 0.027 -4.476 1.00 0.00 C ATOM 408 C ALA A 27 -12.105 1.156 -5.369 1.00 0.00 C ATOM 409 O ALA A 27 -11.515 1.440 -6.409 1.00 0.00 O ATOM 410 CB ALA A 27 -12.296 -1.280 -4.866 1.00 0.00 C ATOM 0 H ALA A 27 -12.204 -0.444 -2.520 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.530 -0.086 -4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.094 -1.499 -5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.915 -2.092 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.371 -1.183 -4.716 1.00 0.00 H new ATOM 416 N ASP A 28 -13.190 1.802 -4.954 1.00 0.00 N ATOM 417 CA ASP A 28 -13.748 2.904 -5.728 1.00 0.00 C ATOM 418 C ASP A 28 -12.643 3.886 -6.096 1.00 0.00 C ATOM 419 O ASP A 28 -12.653 4.477 -7.176 1.00 0.00 O ATOM 420 CB ASP A 28 -14.828 3.623 -4.918 1.00 0.00 C ATOM 421 CG ASP A 28 -16.141 2.854 -5.004 1.00 0.00 C ATOM 422 OD1 ASP A 28 -16.830 3.007 -6.001 1.00 0.00 O ATOM 423 OD2 ASP A 28 -16.441 2.127 -4.073 1.00 0.00 O ATOM 0 H ASP A 28 -13.696 1.584 -4.095 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.195 2.505 -6.639 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.516 3.711 -3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.965 4.636 -5.297 1.00 0.00 H new ATOM 428 N GLU A 29 -11.684 4.040 -5.190 1.00 0.00 N ATOM 429 CA GLU A 29 -10.560 4.935 -5.419 1.00 0.00 C ATOM 430 C GLU A 29 -9.492 4.214 -6.230 1.00 0.00 C ATOM 431 O GLU A 29 -8.776 4.824 -7.025 1.00 0.00 O ATOM 432 CB GLU A 29 -9.975 5.390 -4.081 1.00 0.00 C ATOM 433 CG GLU A 29 -10.968 6.315 -3.378 1.00 0.00 C ATOM 434 CD GLU A 29 -10.949 7.693 -4.031 1.00 0.00 C ATOM 435 OE1 GLU A 29 -10.052 8.461 -3.720 1.00 0.00 O ATOM 436 OE2 GLU A 29 -11.828 7.959 -4.832 1.00 0.00 O ATOM 0 H GLU A 29 -11.664 3.557 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.904 5.810 -5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.760 4.525 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.030 5.909 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.971 5.892 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.713 6.400 -2.322 1.00 0.00 H new ATOM 443 N TYR A 30 -9.401 2.906 -6.022 1.00 0.00 N ATOM 444 CA TYR A 30 -8.430 2.087 -6.734 1.00 0.00 C ATOM 445 C TYR A 30 -8.909 1.809 -8.156 1.00 0.00 C ATOM 446 O TYR A 30 -8.108 1.563 -9.055 1.00 0.00 O ATOM 447 CB TYR A 30 -8.230 0.764 -5.992 1.00 0.00 C ATOM 448 CG TYR A 30 -6.782 0.346 -6.077 1.00 0.00 C ATOM 449 CD1 TYR A 30 -5.783 1.162 -5.530 1.00 0.00 C ATOM 450 CD2 TYR A 30 -6.437 -0.860 -6.699 1.00 0.00 C ATOM 451 CE1 TYR A 30 -4.441 0.772 -5.606 1.00 0.00 C ATOM 452 CE2 TYR A 30 -5.095 -1.251 -6.773 1.00 0.00 C ATOM 453 CZ TYR A 30 -4.097 -0.435 -6.228 1.00 0.00 C ATOM 454 OH TYR A 30 -2.774 -0.821 -6.302 1.00 0.00 O ATOM 0 H TYR A 30 -9.988 2.391 -5.366 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.484 2.626 -6.781 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.526 0.873 -4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.867 -0.007 -6.426 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.049 2.092 -5.050 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.207 -1.489 -7.122 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.671 1.401 -5.185 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.830 -2.183 -7.251 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.203 -0.026 -6.339 1.00 0.00 H new ATOM 464 N LEU A 31 -10.224 1.853 -8.353 1.00 0.00 N ATOM 465 CA LEU A 31 -10.799 1.607 -9.671 1.00 0.00 C ATOM 466 C LEU A 31 -10.478 2.765 -10.609 1.00 0.00 C ATOM 467 O LEU A 31 -10.028 2.558 -11.736 1.00 0.00 O ATOM 468 CB LEU A 31 -12.317 1.441 -9.557 1.00 0.00 C ATOM 469 CG LEU A 31 -12.782 0.317 -10.486 1.00 0.00 C ATOM 470 CD1 LEU A 31 -12.547 -1.037 -9.814 1.00 0.00 C ATOM 471 CD2 LEU A 31 -14.275 0.485 -10.781 1.00 0.00 C ATOM 0 H LEU A 31 -10.907 2.055 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.367 0.692 -10.076 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.592 1.212 -8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.816 2.374 -9.820 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.217 0.362 -11.417 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.879 -1.835 -10.478 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.485 -1.159 -9.603 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.110 -1.083 -8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.607 -0.315 -11.443 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.837 0.442 -9.848 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.445 1.448 -11.262 1.00 0.00 H new ATOM 483 N ARG A 32 -10.703 3.985 -10.131 1.00 0.00 N ATOM 484 CA ARG A 32 -10.425 5.170 -10.932 1.00 0.00 C ATOM 485 C ARG A 32 -8.926 5.298 -11.182 1.00 0.00 C ATOM 486 O ARG A 32 -8.487 6.120 -11.985 1.00 0.00 O ATOM 487 CB ARG A 32 -10.934 6.420 -10.212 1.00 0.00 C ATOM 488 CG ARG A 32 -12.456 6.349 -10.079 1.00 0.00 C ATOM 489 CD ARG A 32 -13.037 7.764 -10.090 1.00 0.00 C ATOM 490 NE ARG A 32 -14.493 7.714 -10.033 1.00 0.00 N ATOM 491 CZ ARG A 32 -15.203 8.775 -9.661 1.00 0.00 C ATOM 492 NH1 ARG A 32 -14.596 9.887 -9.347 1.00 0.00 N ATOM 493 NH2 ARG A 32 -16.505 8.706 -9.611 1.00 0.00 N ATOM 0 H ARG A 32 -11.074 4.177 -9.201 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.938 5.072 -11.889 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.476 6.497 -9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.648 7.314 -10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.876 5.766 -10.898 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.727 5.840 -9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.652 8.329 -9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.719 8.288 -10.992 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.975 6.851 -10.283 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.578 9.941 -9.387 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.139 10.702 -9.062 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.980 7.837 -9.857 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.048 9.521 -9.325 1.00 0.00 H new ATOM 507 N GLU A 33 -8.147 4.479 -10.483 1.00 0.00 N ATOM 508 CA GLU A 33 -6.697 4.504 -10.630 1.00 0.00 C ATOM 509 C GLU A 33 -6.066 3.353 -9.853 1.00 0.00 C ATOM 510 O GLU A 33 -6.459 3.069 -8.722 1.00 0.00 O ATOM 511 CB GLU A 33 -6.144 5.834 -10.116 1.00 0.00 C ATOM 512 CG GLU A 33 -4.753 6.072 -10.705 1.00 0.00 C ATOM 513 CD GLU A 33 -4.194 7.396 -10.196 1.00 0.00 C ATOM 514 OE1 GLU A 33 -4.599 8.425 -10.712 1.00 0.00 O ATOM 515 OE2 GLU A 33 -3.368 7.363 -9.298 1.00 0.00 O ATOM 0 H GLU A 33 -8.494 3.793 -9.812 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.452 4.395 -11.686 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.812 6.649 -10.394 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.092 5.822 -9.027 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.087 5.255 -10.428 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.807 6.084 -11.794 1.00 0.00 H new ATOM 522 N HIS A 34 -5.090 2.692 -10.465 1.00 0.00 N ATOM 523 CA HIS A 34 -4.421 1.571 -9.817 1.00 0.00 C ATOM 524 C HIS A 34 -3.071 1.292 -10.474 1.00 0.00 C ATOM 525 O HIS A 34 -2.819 1.711 -11.603 1.00 0.00 O ATOM 526 CB HIS A 34 -5.305 0.321 -9.895 1.00 0.00 C ATOM 527 CG HIS A 34 -4.958 -0.475 -11.126 1.00 0.00 C ATOM 528 ND1 HIS A 34 -4.678 -0.096 -12.415 1.00 0.00 N flip ATOM 529 CD2 HIS A 34 -4.864 -1.858 -11.109 1.00 0.00 C flip ATOM 530 CE1 HIS A 34 -4.414 -1.223 -13.188 1.00 0.00 C flip ATOM 531 NE2 HIS A 34 -4.539 -2.257 -12.352 1.00 0.00 N flip ATOM 0 H HIS A 34 -4.747 2.910 -11.400 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.250 1.829 -8.772 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.165 -0.291 -9.004 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.356 0.609 -9.922 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.665 0.866 -12.755 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.023 -2.498 -10.254 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.162 -1.255 -14.238 1.00 0.00 H new ATOM 539 N ILE A 35 -2.213 0.576 -9.757 1.00 0.00 N ATOM 540 CA ILE A 35 -0.892 0.235 -10.273 1.00 0.00 C ATOM 541 C ILE A 35 -0.842 -1.242 -10.663 1.00 0.00 C ATOM 542 O ILE A 35 -0.785 -2.114 -9.794 1.00 0.00 O ATOM 543 CB ILE A 35 0.167 0.514 -9.206 1.00 0.00 C ATOM 544 CG1 ILE A 35 -0.301 1.668 -8.315 1.00 0.00 C ATOM 545 CG2 ILE A 35 1.484 0.897 -9.885 1.00 0.00 C ATOM 546 CD1 ILE A 35 0.725 1.903 -7.204 1.00 0.00 C ATOM 0 H ILE A 35 -2.407 0.221 -8.820 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.692 0.844 -11.155 1.00 0.00 H new ATOM 0 HB ILE A 35 0.317 -0.378 -8.598 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.424 2.574 -8.909 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.274 1.436 -7.883 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.240 1.096 -9.126 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.817 0.078 -10.522 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.334 1.790 -10.491 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.392 2.724 -6.569 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.825 0.999 -6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.689 2.154 -7.646 1.00 0.00 H new ATOM 558 N PRO A 36 -0.866 -1.542 -11.939 1.00 0.00 N ATOM 559 CA PRO A 36 -0.822 -2.953 -12.436 1.00 0.00 C ATOM 560 C PRO A 36 0.368 -3.740 -11.895 1.00 0.00 C ATOM 561 O PRO A 36 0.753 -4.768 -12.453 1.00 0.00 O ATOM 562 CB PRO A 36 -0.721 -2.811 -13.955 1.00 0.00 C ATOM 563 CG PRO A 36 -1.232 -1.445 -14.270 1.00 0.00 C ATOM 564 CD PRO A 36 -0.946 -0.577 -13.047 1.00 0.00 C ATOM 0 HA PRO A 36 -1.698 -3.511 -12.107 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.309 -2.930 -14.291 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.312 -3.576 -14.459 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.739 -1.042 -15.155 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.300 -1.471 -14.485 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.015 -0.021 -13.161 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.737 0.155 -12.883 1.00 0.00 H new ATOM 572 N GLU A 37 0.939 -3.254 -10.807 1.00 0.00 N ATOM 573 CA GLU A 37 2.080 -3.917 -10.189 1.00 0.00 C ATOM 574 C GLU A 37 1.901 -3.988 -8.676 1.00 0.00 C ATOM 575 O GLU A 37 2.875 -4.087 -7.930 1.00 0.00 O ATOM 576 CB GLU A 37 3.368 -3.158 -10.520 1.00 0.00 C ATOM 577 CG GLU A 37 3.737 -3.393 -11.987 1.00 0.00 C ATOM 578 CD GLU A 37 3.964 -4.881 -12.236 1.00 0.00 C ATOM 579 OE1 GLU A 37 4.937 -5.406 -11.720 1.00 0.00 O ATOM 580 OE2 GLU A 37 3.161 -5.474 -12.939 1.00 0.00 O ATOM 0 H GLU A 37 0.634 -2.404 -10.332 1.00 0.00 H new ATOM 0 HA GLU A 37 2.146 -4.931 -10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.233 -2.092 -10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.177 -3.494 -9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.941 -3.025 -12.634 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.637 -2.832 -12.238 1.00 0.00 H new ATOM 587 N ALA A 38 0.648 -3.936 -8.230 1.00 0.00 N ATOM 588 CA ALA A 38 0.354 -3.996 -6.803 1.00 0.00 C ATOM 589 C ALA A 38 -0.887 -4.846 -6.547 1.00 0.00 C ATOM 590 O ALA A 38 -1.792 -4.907 -7.379 1.00 0.00 O ATOM 591 CB ALA A 38 0.129 -2.584 -6.256 1.00 0.00 C ATOM 0 H ALA A 38 -0.172 -3.853 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 38 1.204 -4.451 -6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.090 -2.638 -5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.027 -1.986 -6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.710 -2.122 -6.776 1.00 0.00 H new ATOM 597 N ASP A 39 -0.920 -5.503 -5.391 1.00 0.00 N ATOM 598 CA ASP A 39 -2.054 -6.351 -5.038 1.00 0.00 C ATOM 599 C ASP A 39 -3.172 -5.527 -4.406 1.00 0.00 C ATOM 600 O ASP A 39 -2.928 -4.705 -3.522 1.00 0.00 O ATOM 601 CB ASP A 39 -1.608 -7.438 -4.060 1.00 0.00 C ATOM 602 CG ASP A 39 -2.799 -8.306 -3.669 1.00 0.00 C ATOM 603 OD1 ASP A 39 -3.086 -9.245 -4.394 1.00 0.00 O ATOM 604 OD2 ASP A 39 -3.408 -8.019 -2.651 1.00 0.00 O ATOM 0 H ASP A 39 -0.182 -5.465 -4.688 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.432 -6.812 -5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.833 -8.054 -4.516 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.172 -6.983 -3.171 1.00 0.00 H new ATOM 609 N LEU A 40 -4.398 -5.759 -4.863 1.00 0.00 N ATOM 610 CA LEU A 40 -5.553 -5.040 -4.336 1.00 0.00 C ATOM 611 C LEU A 40 -6.191 -5.827 -3.197 1.00 0.00 C ATOM 612 O LEU A 40 -6.663 -6.947 -3.393 1.00 0.00 O ATOM 613 CB LEU A 40 -6.581 -4.821 -5.450 1.00 0.00 C ATOM 614 CG LEU A 40 -7.823 -4.135 -4.876 1.00 0.00 C ATOM 615 CD1 LEU A 40 -7.456 -2.731 -4.398 1.00 0.00 C ATOM 616 CD2 LEU A 40 -8.898 -4.037 -5.962 1.00 0.00 C ATOM 0 H LEU A 40 -4.617 -6.436 -5.594 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.221 -4.074 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.149 -4.209 -6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.855 -5.776 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.203 -4.717 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.341 -2.243 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.689 -2.798 -3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.075 -2.149 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.783 -3.549 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.516 -3.455 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.161 -5.038 -6.305 1.00 0.00 H new ATOM 628 N ALA A 41 -6.202 -5.238 -2.005 1.00 0.00 N ATOM 629 CA ALA A 41 -6.784 -5.902 -0.846 1.00 0.00 C ATOM 630 C ALA A 41 -7.423 -4.878 0.086 1.00 0.00 C ATOM 631 O ALA A 41 -6.752 -4.306 0.946 1.00 0.00 O ATOM 632 CB ALA A 41 -5.700 -6.676 -0.094 1.00 0.00 C ATOM 0 H ALA A 41 -5.818 -4.312 -1.818 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.553 -6.595 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.140 -7.171 0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.262 -7.424 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.924 -5.986 0.238 1.00 0.00 H new ATOM 638 N PRO A 42 -8.698 -4.633 -0.070 1.00 0.00 N ATOM 639 CA PRO A 42 -9.433 -3.651 0.774 1.00 0.00 C ATOM 640 C PRO A 42 -9.101 -3.810 2.254 1.00 0.00 C ATOM 641 O PRO A 42 -9.309 -4.873 2.840 1.00 0.00 O ATOM 642 CB PRO A 42 -10.903 -3.966 0.495 1.00 0.00 C ATOM 643 CG PRO A 42 -10.922 -4.560 -0.875 1.00 0.00 C ATOM 644 CD PRO A 42 -9.579 -5.267 -1.066 1.00 0.00 C ATOM 0 HA PRO A 42 -9.167 -2.620 0.539 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.303 -4.662 1.232 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.515 -3.065 0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.748 -5.263 -0.980 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.063 -3.787 -1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.665 -6.340 -0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.198 -5.133 -2.078 1.00 0.00 H new ATOM 652 N LEU A 43 -8.574 -2.746 2.850 1.00 0.00 N ATOM 653 CA LEU A 43 -8.202 -2.771 4.259 1.00 0.00 C ATOM 654 C LEU A 43 -9.255 -3.502 5.090 1.00 0.00 C ATOM 655 O LEU A 43 -8.958 -4.026 6.163 1.00 0.00 O ATOM 656 CB LEU A 43 -8.029 -1.333 4.770 1.00 0.00 C ATOM 657 CG LEU A 43 -9.272 -0.894 5.550 1.00 0.00 C ATOM 658 CD1 LEU A 43 -9.229 -1.494 6.957 1.00 0.00 C ATOM 659 CD2 LEU A 43 -9.301 0.633 5.649 1.00 0.00 C ATOM 0 H LEU A 43 -8.395 -1.858 2.381 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.260 -3.309 4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.149 -1.270 5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.861 -0.659 3.930 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.166 -1.242 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.113 -1.182 7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.209 -2.582 6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.334 -1.146 7.474 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.186 0.945 6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.407 0.981 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.331 1.062 4.647 1.00 0.00 H new ATOM 671 N SER A 44 -10.488 -3.520 4.594 1.00 0.00 N ATOM 672 CA SER A 44 -11.579 -4.173 5.310 1.00 0.00 C ATOM 673 C SER A 44 -11.591 -5.680 5.059 1.00 0.00 C ATOM 674 O SER A 44 -12.077 -6.447 5.889 1.00 0.00 O ATOM 675 CB SER A 44 -12.916 -3.576 4.872 1.00 0.00 C ATOM 676 OG SER A 44 -13.866 -4.622 4.712 1.00 0.00 O ATOM 0 H SER A 44 -10.756 -3.094 3.707 1.00 0.00 H new ATOM 0 HA SER A 44 -11.426 -4.005 6.376 1.00 0.00 H new ATOM 0 HB2 SER A 44 -13.268 -2.859 5.614 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.795 -3.032 3.935 1.00 0.00 H new ATOM 0 HG SER A 44 -14.726 -4.243 4.433 1.00 0.00 H new ATOM 682 N VAL A 45 -11.067 -6.100 3.912 1.00 0.00 N ATOM 683 CA VAL A 45 -11.043 -7.521 3.579 1.00 0.00 C ATOM 684 C VAL A 45 -9.917 -8.239 4.318 1.00 0.00 C ATOM 685 O VAL A 45 -10.133 -9.288 4.925 1.00 0.00 O ATOM 686 CB VAL A 45 -10.880 -7.708 2.066 1.00 0.00 C ATOM 687 CG1 VAL A 45 -9.396 -7.836 1.710 1.00 0.00 C ATOM 688 CG2 VAL A 45 -11.617 -8.979 1.635 1.00 0.00 C ATOM 0 H VAL A 45 -10.659 -5.487 3.206 1.00 0.00 H new ATOM 0 HA VAL A 45 -11.991 -7.958 3.893 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.297 -6.843 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.290 -7.969 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.869 -6.933 2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.971 -8.698 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.505 -9.118 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.197 -9.838 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.675 -8.887 1.881 1.00 0.00 H new ATOM 698 N LEU A 46 -8.717 -7.673 4.262 1.00 0.00 N ATOM 699 CA LEU A 46 -7.570 -8.276 4.930 1.00 0.00 C ATOM 700 C LEU A 46 -7.871 -8.499 6.408 1.00 0.00 C ATOM 701 O LEU A 46 -7.307 -9.393 7.039 1.00 0.00 O ATOM 702 CB LEU A 46 -6.346 -7.371 4.785 1.00 0.00 C ATOM 703 CG LEU A 46 -5.115 -8.074 5.362 1.00 0.00 C ATOM 704 CD1 LEU A 46 -4.561 -9.066 4.337 1.00 0.00 C ATOM 705 CD2 LEU A 46 -4.044 -7.033 5.692 1.00 0.00 C ATOM 0 H LEU A 46 -8.514 -6.805 3.766 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.364 -9.239 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.181 -7.131 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.515 -6.428 5.304 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.396 -8.610 6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.685 -9.565 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.323 -9.808 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.280 -8.532 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.166 -7.532 6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.765 -6.497 4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.436 -6.327 6.424 1.00 0.00 H new ATOM 717 N GLU A 47 -8.762 -7.679 6.954 1.00 0.00 N ATOM 718 CA GLU A 47 -9.132 -7.794 8.360 1.00 0.00 C ATOM 719 C GLU A 47 -10.223 -8.845 8.547 1.00 0.00 C ATOM 720 O GLU A 47 -10.113 -9.720 9.406 1.00 0.00 O ATOM 721 CB GLU A 47 -9.626 -6.444 8.881 1.00 0.00 C ATOM 722 CG GLU A 47 -9.660 -6.466 10.410 1.00 0.00 C ATOM 723 CD GLU A 47 -10.155 -5.125 10.939 1.00 0.00 C ATOM 724 OE1 GLU A 47 -10.349 -4.228 10.135 1.00 0.00 O ATOM 725 OE2 GLU A 47 -10.334 -5.014 12.140 1.00 0.00 O ATOM 0 H GLU A 47 -9.239 -6.932 6.449 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.251 -8.101 8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.970 -5.646 8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.620 -6.233 8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.314 -7.267 10.756 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.664 -6.676 10.801 1.00 0.00 H new ATOM 732 N GLN A 48 -11.276 -8.750 7.743 1.00 0.00 N ATOM 733 CA GLN A 48 -12.381 -9.698 7.835 1.00 0.00 C ATOM 734 C GLN A 48 -11.930 -11.092 7.411 1.00 0.00 C ATOM 735 O GLN A 48 -12.118 -12.065 8.143 1.00 0.00 O ATOM 736 CB GLN A 48 -13.539 -9.240 6.945 1.00 0.00 C ATOM 737 CG GLN A 48 -14.199 -8.004 7.561 1.00 0.00 C ATOM 738 CD GLN A 48 -15.499 -8.397 8.255 1.00 0.00 C ATOM 739 OE1 GLN A 48 -15.480 -9.139 9.237 1.00 0.00 O ATOM 740 NE2 GLN A 48 -16.633 -7.939 7.801 1.00 0.00 N ATOM 0 H GLN A 48 -11.388 -8.033 7.026 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.714 -9.737 8.872 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.173 -9.009 5.944 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.270 -10.042 6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.521 -7.539 8.277 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.400 -7.265 6.786 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -16.646 -7.324 6.987 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -17.507 -8.196 8.260 1.00 0.00 H new ATOM 749 N SER A 49 -11.335 -11.184 6.225 1.00 0.00 N ATOM 750 CA SER A 49 -10.863 -12.466 5.716 1.00 0.00 C ATOM 751 C SER A 49 -9.489 -12.797 6.287 1.00 0.00 C ATOM 752 O SER A 49 -9.364 -13.613 7.201 1.00 0.00 O ATOM 753 CB SER A 49 -10.784 -12.426 4.190 1.00 0.00 C ATOM 754 OG SER A 49 -10.111 -13.588 3.727 1.00 0.00 O ATOM 0 H SER A 49 -11.170 -10.392 5.603 1.00 0.00 H new ATOM 0 HA SER A 49 -11.569 -13.238 6.024 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.786 -12.377 3.763 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.255 -11.530 3.865 1.00 0.00 H new ATOM 0 HG SER A 49 -10.059 -13.568 2.749 1.00 0.00 H new ATOM 760 N GLY A 50 -8.461 -12.161 5.738 1.00 0.00 N ATOM 761 CA GLY A 50 -7.096 -12.394 6.194 1.00 0.00 C ATOM 762 C GLY A 50 -6.227 -12.919 5.057 1.00 0.00 C ATOM 763 O GLY A 50 -6.148 -14.127 4.831 1.00 0.00 O ATOM 0 H GLY A 50 -8.546 -11.483 4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.674 -11.467 6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.100 -13.110 7.015 1.00 0.00 H new ATOM 767 N LEU A 51 -5.579 -12.005 4.343 1.00 0.00 N ATOM 768 CA LEU A 51 -4.718 -12.388 3.229 1.00 0.00 C ATOM 769 C LEU A 51 -3.313 -11.827 3.420 1.00 0.00 C ATOM 770 O LEU A 51 -2.952 -10.814 2.820 1.00 0.00 O ATOM 771 CB LEU A 51 -5.303 -11.867 1.914 1.00 0.00 C ATOM 772 CG LEU A 51 -4.604 -12.553 0.738 1.00 0.00 C ATOM 773 CD1 LEU A 51 -5.051 -14.015 0.658 1.00 0.00 C ATOM 774 CD2 LEU A 51 -4.974 -11.835 -0.564 1.00 0.00 C ATOM 0 H LEU A 51 -5.632 -11.001 4.513 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.661 -13.476 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.375 -12.062 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.173 -10.787 1.848 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.525 -12.511 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.553 -14.503 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.789 -14.527 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.130 -14.058 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.477 -12.323 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.054 -11.877 -0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.655 -10.794 -0.509 1.00 0.00 H new ATOM 786 N PRO A 52 -2.525 -12.464 4.241 1.00 0.00 N ATOM 787 CA PRO A 52 -1.128 -12.029 4.527 1.00 0.00 C ATOM 788 C PRO A 52 -0.203 -12.221 3.329 1.00 0.00 C ATOM 789 O PRO A 52 0.580 -13.169 3.284 1.00 0.00 O ATOM 790 CB PRO A 52 -0.683 -12.914 5.703 1.00 0.00 C ATOM 791 CG PRO A 52 -1.902 -13.646 6.167 1.00 0.00 C ATOM 792 CD PRO A 52 -2.876 -13.671 4.993 1.00 0.00 C ATOM 0 HA PRO A 52 -1.084 -10.964 4.755 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.094 -13.612 5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.264 -12.309 6.507 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.649 -14.659 6.480 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.347 -13.148 7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.756 -14.571 4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.913 -13.649 5.329 1.00 0.00 H new ATOM 800 N ALA A 53 -0.289 -11.313 2.363 1.00 0.00 N ATOM 801 CA ALA A 53 0.560 -11.400 1.182 1.00 0.00 C ATOM 802 C ALA A 53 1.978 -11.772 1.599 1.00 0.00 C ATOM 803 O ALA A 53 2.759 -12.290 0.801 1.00 0.00 O ATOM 804 CB ALA A 53 0.573 -10.061 0.444 1.00 0.00 C ATOM 0 H ALA A 53 -0.929 -10.519 2.373 1.00 0.00 H new ATOM 0 HA ALA A 53 0.165 -12.167 0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.210 -10.137 -0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.441 -9.805 0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.959 -9.285 1.105 1.00 0.00 H new ATOM 810 N LYS A 54 2.293 -11.508 2.863 1.00 0.00 N ATOM 811 CA LYS A 54 3.610 -11.820 3.402 1.00 0.00 C ATOM 812 C LYS A 54 3.905 -13.306 3.235 1.00 0.00 C ATOM 813 O LYS A 54 5.044 -13.748 3.388 1.00 0.00 O ATOM 814 CB LYS A 54 3.658 -11.433 4.888 1.00 0.00 C ATOM 815 CG LYS A 54 4.560 -12.397 5.667 1.00 0.00 C ATOM 816 CD LYS A 54 4.673 -11.923 7.119 1.00 0.00 C ATOM 817 CE LYS A 54 5.865 -12.609 7.790 1.00 0.00 C ATOM 818 NZ LYS A 54 5.669 -14.086 7.761 1.00 0.00 N ATOM 0 H LYS A 54 1.654 -11.079 3.532 1.00 0.00 H new ATOM 0 HA LYS A 54 4.366 -11.253 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.030 -10.414 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.652 -11.449 5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.149 -13.406 5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.548 -12.440 5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.798 -10.841 7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.755 -12.154 7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.788 -12.344 7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.964 -12.265 8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.353 -14.540 8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.703 -14.314 8.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.814 -14.437 6.793 1.00 0.00 H new ATOM 832 N LEU A 55 2.865 -14.071 2.923 1.00 0.00 N ATOM 833 CA LEU A 55 3.012 -15.511 2.740 1.00 0.00 C ATOM 834 C LEU A 55 3.627 -15.829 1.380 1.00 0.00 C ATOM 835 O LEU A 55 4.006 -16.970 1.115 1.00 0.00 O ATOM 836 CB LEU A 55 1.645 -16.188 2.844 1.00 0.00 C ATOM 837 CG LEU A 55 1.220 -16.270 4.311 1.00 0.00 C ATOM 838 CD1 LEU A 55 -0.296 -16.449 4.393 1.00 0.00 C ATOM 839 CD2 LEU A 55 1.908 -17.466 4.976 1.00 0.00 C ATOM 0 H LEU A 55 1.916 -13.721 2.792 1.00 0.00 H new ATOM 0 HA LEU A 55 3.674 -15.887 3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.906 -15.627 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.690 -17.188 2.412 1.00 0.00 H new ATOM 0 HG LEU A 55 1.508 -15.352 4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.599 -16.508 5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.789 -15.600 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.582 -17.367 3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.605 -17.525 6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.620 -18.383 4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.989 -17.342 4.918 1.00 0.00 H new ATOM 851 N ARG A 56 3.719 -14.821 0.520 1.00 0.00 N ATOM 852 CA ARG A 56 4.284 -15.024 -0.811 1.00 0.00 C ATOM 853 C ARG A 56 5.435 -14.060 -1.077 1.00 0.00 C ATOM 854 O ARG A 56 5.762 -13.777 -2.230 1.00 0.00 O ATOM 855 CB ARG A 56 3.200 -14.828 -1.874 1.00 0.00 C ATOM 856 CG ARG A 56 1.946 -15.612 -1.478 1.00 0.00 C ATOM 857 CD ARG A 56 0.733 -15.044 -2.218 1.00 0.00 C ATOM 858 NE ARG A 56 -0.051 -16.125 -2.807 1.00 0.00 N ATOM 859 CZ ARG A 56 -1.087 -15.871 -3.600 1.00 0.00 C ATOM 860 NH1 ARG A 56 -1.413 -14.637 -3.870 1.00 0.00 N ATOM 861 NH2 ARG A 56 -1.776 -16.855 -4.108 1.00 0.00 N ATOM 0 H ARG A 56 3.415 -13.867 0.715 1.00 0.00 H new ATOM 0 HA ARG A 56 4.669 -16.042 -0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.962 -13.769 -1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.562 -15.167 -2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.072 -16.667 -1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.790 -15.549 -0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.114 -14.470 -1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.063 -14.358 -2.998 1.00 0.00 H new ATOM 0 HE ARG A 56 0.201 -17.093 -2.606 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.873 -13.868 -3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.208 -14.441 -4.478 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.520 -17.819 -3.897 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.571 -16.660 -4.717 1.00 0.00 H new ATOM 875 N HIS A 57 6.050 -13.558 -0.012 1.00 0.00 N ATOM 876 CA HIS A 57 7.165 -12.629 -0.167 1.00 0.00 C ATOM 877 C HIS A 57 7.862 -12.378 1.166 1.00 0.00 C ATOM 878 O HIS A 57 7.610 -13.068 2.154 1.00 0.00 O ATOM 879 CB HIS A 57 6.658 -11.302 -0.736 1.00 0.00 C ATOM 880 CG HIS A 57 7.127 -11.145 -2.158 1.00 0.00 C ATOM 881 ND1 HIS A 57 6.419 -11.665 -3.231 1.00 0.00 N ATOM 882 CD2 HIS A 57 8.228 -10.528 -2.698 1.00 0.00 C ATOM 883 CE1 HIS A 57 7.097 -11.354 -4.351 1.00 0.00 C ATOM 884 NE2 HIS A 57 8.207 -10.662 -4.084 1.00 0.00 N ATOM 0 H HIS A 57 5.801 -13.774 0.953 1.00 0.00 H new ATOM 0 HA HIS A 57 7.885 -13.075 -0.853 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.569 -11.271 -0.697 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.022 -10.473 -0.130 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.544 -12.188 -3.181 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.994 -10.017 -2.134 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.781 -11.631 -5.346 1.00 0.00 H new ATOM 892 N GLU A 58 8.741 -11.380 1.178 1.00 0.00 N ATOM 893 CA GLU A 58 9.478 -11.029 2.386 1.00 0.00 C ATOM 894 C GLU A 58 9.207 -9.577 2.759 1.00 0.00 C ATOM 895 O GLU A 58 9.144 -9.228 3.938 1.00 0.00 O ATOM 896 CB GLU A 58 10.978 -11.231 2.158 1.00 0.00 C ATOM 897 CG GLU A 58 11.746 -10.857 3.429 1.00 0.00 C ATOM 898 CD GLU A 58 12.468 -12.082 3.980 1.00 0.00 C ATOM 899 OE1 GLU A 58 11.796 -13.051 4.291 1.00 0.00 O ATOM 900 OE2 GLU A 58 13.683 -12.033 4.083 1.00 0.00 O ATOM 0 H GLU A 58 8.959 -10.802 0.367 1.00 0.00 H new ATOM 0 HA GLU A 58 9.148 -11.674 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.179 -12.269 1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.315 -10.617 1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.466 -10.068 3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.058 -10.463 4.177 1.00 0.00 H new ATOM 907 N GLN A 59 9.040 -8.737 1.744 1.00 0.00 N ATOM 908 CA GLN A 59 8.764 -7.325 1.969 1.00 0.00 C ATOM 909 C GLN A 59 7.352 -6.986 1.506 1.00 0.00 C ATOM 910 O GLN A 59 6.938 -7.377 0.415 1.00 0.00 O ATOM 911 CB GLN A 59 9.774 -6.462 1.209 1.00 0.00 C ATOM 912 CG GLN A 59 10.787 -5.874 2.191 1.00 0.00 C ATOM 913 CD GLN A 59 11.651 -4.833 1.486 1.00 0.00 C ATOM 914 OE1 GLN A 59 11.359 -3.639 1.546 1.00 0.00 O ATOM 915 NE2 GLN A 59 12.703 -5.220 0.818 1.00 0.00 N ATOM 0 H GLN A 59 9.091 -9.008 0.762 1.00 0.00 H new ATOM 0 HA GLN A 59 8.850 -7.120 3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.287 -7.062 0.457 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.258 -5.661 0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.267 -5.417 3.033 1.00 0.00 H new ATOM 0 HG3 GLN A 59 11.416 -6.667 2.596 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.941 -6.211 0.771 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.287 -4.532 0.343 1.00 0.00 H new ATOM 924 N ILE A 60 6.616 -6.265 2.342 1.00 0.00 N ATOM 925 CA ILE A 60 5.251 -5.888 2.006 1.00 0.00 C ATOM 926 C ILE A 60 5.043 -4.391 2.212 1.00 0.00 C ATOM 927 O ILE A 60 5.176 -3.883 3.325 1.00 0.00 O ATOM 928 CB ILE A 60 4.269 -6.672 2.881 1.00 0.00 C ATOM 929 CG1 ILE A 60 4.919 -7.979 3.341 1.00 0.00 C ATOM 930 CG2 ILE A 60 3.011 -6.996 2.073 1.00 0.00 C ATOM 931 CD1 ILE A 60 5.657 -7.752 4.661 1.00 0.00 C ATOM 0 H ILE A 60 6.939 -5.932 3.251 1.00 0.00 H new ATOM 0 HA ILE A 60 5.072 -6.123 0.957 1.00 0.00 H new ATOM 0 HB ILE A 60 4.004 -6.070 3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.159 -8.750 3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.614 -8.337 2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.312 -7.554 2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.542 -6.069 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.281 -7.596 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.118 -8.685 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.429 -6.995 4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.951 -7.414 5.419 1.00 0.00 H new ATOM 943 N ILE A 61 4.714 -3.690 1.130 1.00 0.00 N ATOM 944 CA ILE A 61 4.490 -2.250 1.202 1.00 0.00 C ATOM 945 C ILE A 61 3.012 -1.937 0.992 1.00 0.00 C ATOM 946 O ILE A 61 2.343 -2.576 0.181 1.00 0.00 O ATOM 947 CB ILE A 61 5.327 -1.539 0.138 1.00 0.00 C ATOM 948 CG1 ILE A 61 6.788 -1.973 0.271 1.00 0.00 C ATOM 949 CG2 ILE A 61 5.227 -0.024 0.333 1.00 0.00 C ATOM 950 CD1 ILE A 61 7.669 -1.082 -0.607 1.00 0.00 C ATOM 0 H ILE A 61 4.597 -4.092 0.200 1.00 0.00 H new ATOM 0 HA ILE A 61 4.790 -1.896 2.188 1.00 0.00 H new ATOM 0 HB ILE A 61 4.955 -1.801 -0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.105 -1.904 1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.897 -3.016 -0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.824 0.481 -0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.186 0.287 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.599 0.241 1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.710 -1.392 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.357 -1.174 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.569 -0.044 -0.289 1.00 0.00 H new ATOM 962 N PHE A 62 2.505 -0.958 1.733 1.00 0.00 N ATOM 963 CA PHE A 62 1.099 -0.583 1.621 1.00 0.00 C ATOM 964 C PHE A 62 0.952 0.897 1.288 1.00 0.00 C ATOM 965 O PHE A 62 1.713 1.734 1.775 1.00 0.00 O ATOM 966 CB PHE A 62 0.376 -0.881 2.935 1.00 0.00 C ATOM 967 CG PHE A 62 0.558 -2.335 3.295 1.00 0.00 C ATOM 968 CD1 PHE A 62 1.727 -2.753 3.943 1.00 0.00 C ATOM 969 CD2 PHE A 62 -0.441 -3.266 2.982 1.00 0.00 C ATOM 970 CE1 PHE A 62 1.896 -4.102 4.279 1.00 0.00 C ATOM 971 CE2 PHE A 62 -0.270 -4.614 3.318 1.00 0.00 C ATOM 972 CZ PHE A 62 0.897 -5.032 3.967 1.00 0.00 C ATOM 0 H PHE A 62 3.039 -0.414 2.411 1.00 0.00 H new ATOM 0 HA PHE A 62 0.656 -1.167 0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.769 -0.247 3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.685 -0.650 2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.498 -2.036 4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.342 -2.944 2.482 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.797 -4.425 4.779 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.040 -5.332 3.076 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.027 -6.072 4.227 1.00 0.00 H new ATOM 982 N HIS A 63 -0.044 1.214 0.465 1.00 0.00 N ATOM 983 CA HIS A 63 -0.297 2.599 0.083 1.00 0.00 C ATOM 984 C HIS A 63 -1.792 2.851 -0.032 1.00 0.00 C ATOM 985 O HIS A 63 -2.529 2.040 -0.593 1.00 0.00 O ATOM 986 CB HIS A 63 0.381 2.925 -1.246 1.00 0.00 C ATOM 987 CG HIS A 63 -0.084 1.959 -2.302 1.00 0.00 C ATOM 988 ND1 HIS A 63 -0.755 0.788 -1.990 1.00 0.00 N ATOM 989 CD2 HIS A 63 0.017 1.982 -3.671 1.00 0.00 C ATOM 990 CE1 HIS A 63 -1.030 0.158 -3.147 1.00 0.00 C ATOM 991 NE2 HIS A 63 -0.582 0.843 -4.203 1.00 0.00 N ATOM 0 H HIS A 63 -0.685 0.536 0.053 1.00 0.00 H new ATOM 0 HA HIS A 63 0.117 3.245 0.857 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.146 3.947 -1.545 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.464 2.866 -1.137 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.489 2.764 -4.247 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.550 -0.786 -3.214 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.662 0.587 -5.187 1.00 0.00 H new ATOM 999 N CYS A 64 -2.233 3.976 0.508 1.00 0.00 N ATOM 1000 CA CYS A 64 -3.647 4.327 0.471 1.00 0.00 C ATOM 1001 C CYS A 64 -3.873 5.600 -0.340 1.00 0.00 C ATOM 1002 O CYS A 64 -2.986 6.448 -0.447 1.00 0.00 O ATOM 1003 CB CYS A 64 -4.168 4.516 1.895 1.00 0.00 C ATOM 1004 SG CYS A 64 -3.204 3.480 3.023 1.00 0.00 S ATOM 0 H CYS A 64 -1.637 4.660 0.975 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.192 3.515 -0.011 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -4.090 5.563 2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -5.223 4.248 1.948 1.00 0.00 H new ATOM 0 HG CYS A 64 -2.320 4.211 3.634 1.00 0.00 H new ATOM 1010 N GLN A 65 -5.067 5.724 -0.910 1.00 0.00 N ATOM 1011 CA GLN A 65 -5.408 6.894 -1.712 1.00 0.00 C ATOM 1012 C GLN A 65 -4.750 8.150 -1.146 1.00 0.00 C ATOM 1013 O GLN A 65 -4.271 9.000 -1.897 1.00 0.00 O ATOM 1014 CB GLN A 65 -6.928 7.072 -1.747 1.00 0.00 C ATOM 1015 CG GLN A 65 -7.375 7.941 -0.571 1.00 0.00 C ATOM 1016 CD GLN A 65 -8.885 7.836 -0.391 1.00 0.00 C ATOM 1017 OE1 GLN A 65 -9.356 7.146 0.513 1.00 0.00 O ATOM 1018 NE2 GLN A 65 -9.676 8.482 -1.202 1.00 0.00 N ATOM 0 H GLN A 65 -5.812 5.032 -0.832 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.037 6.739 -2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.228 7.535 -2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.418 6.100 -1.700 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.869 7.623 0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.093 8.979 -0.747 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.283 9.053 -1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.687 8.416 -1.088 1.00 0.00 H new ATOM 1027 N ALA A 66 -4.729 8.262 0.179 1.00 0.00 N ATOM 1028 CA ALA A 66 -4.124 9.421 0.828 1.00 0.00 C ATOM 1029 C ALA A 66 -3.116 8.978 1.884 1.00 0.00 C ATOM 1030 O ALA A 66 -2.427 9.802 2.484 1.00 0.00 O ATOM 1031 CB ALA A 66 -5.206 10.283 1.483 1.00 0.00 C ATOM 0 H ALA A 66 -5.120 7.571 0.820 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.606 10.007 0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.743 11.145 1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.908 10.626 0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.739 9.694 2.229 1.00 0.00 H new ATOM 1037 N GLY A 67 -3.036 7.670 2.104 1.00 0.00 N ATOM 1038 CA GLY A 67 -2.108 7.125 3.087 1.00 0.00 C ATOM 1039 C GLY A 67 -2.717 7.133 4.486 1.00 0.00 C ATOM 1040 O GLY A 67 -2.380 6.297 5.324 1.00 0.00 O ATOM 0 H GLY A 67 -3.599 6.972 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.839 6.105 2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.188 7.709 3.085 1.00 0.00 H new ATOM 1044 N LYS A 68 -3.614 8.083 4.730 1.00 0.00 N ATOM 1045 CA LYS A 68 -4.264 8.195 6.033 1.00 0.00 C ATOM 1046 C LYS A 68 -4.664 6.818 6.560 1.00 0.00 C ATOM 1047 O LYS A 68 -4.766 6.613 7.769 1.00 0.00 O ATOM 1048 CB LYS A 68 -5.507 9.080 5.918 1.00 0.00 C ATOM 1049 CG LYS A 68 -6.101 9.319 7.310 1.00 0.00 C ATOM 1050 CD LYS A 68 -7.568 9.731 7.172 1.00 0.00 C ATOM 1051 CE LYS A 68 -8.075 10.282 8.506 1.00 0.00 C ATOM 1052 NZ LYS A 68 -9.559 10.406 8.458 1.00 0.00 N ATOM 0 H LYS A 68 -3.907 8.783 4.048 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.558 8.644 6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.246 10.032 5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.246 8.604 5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.021 8.414 7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.540 10.097 7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.672 10.486 6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.170 8.874 6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.780 9.621 9.321 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.624 11.254 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.906 10.781 9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.829 11.053 7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.980 9.471 8.286 1.00 0.00 H new ATOM 1066 N ARG A 69 -4.896 5.882 5.645 1.00 0.00 N ATOM 1067 CA ARG A 69 -5.294 4.532 6.034 1.00 0.00 C ATOM 1068 C ARG A 69 -4.076 3.680 6.384 1.00 0.00 C ATOM 1069 O ARG A 69 -4.182 2.720 7.149 1.00 0.00 O ATOM 1070 CB ARG A 69 -6.071 3.871 4.895 1.00 0.00 C ATOM 1071 CG ARG A 69 -7.078 2.876 5.474 1.00 0.00 C ATOM 1072 CD ARG A 69 -8.262 3.635 6.073 1.00 0.00 C ATOM 1073 NE ARG A 69 -8.374 3.348 7.498 1.00 0.00 N ATOM 1074 CZ ARG A 69 -9.328 3.901 8.240 1.00 0.00 C ATOM 1075 NH1 ARG A 69 -10.190 4.715 7.695 1.00 0.00 N ATOM 1076 NH2 ARG A 69 -9.404 3.628 9.515 1.00 0.00 N ATOM 0 H ARG A 69 -4.817 6.030 4.639 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.929 4.606 6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.589 4.628 4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.384 3.359 4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.425 2.198 4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.601 2.264 6.239 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.132 4.706 5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.182 3.349 5.563 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.707 2.711 7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.132 4.927 6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.922 5.139 8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.731 2.991 9.941 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.136 4.052 10.085 1.00 0.00 H new ATOM 1090 N THR A 70 -2.923 4.030 5.822 1.00 0.00 N ATOM 1091 CA THR A 70 -1.699 3.282 6.087 1.00 0.00 C ATOM 1092 C THR A 70 -1.284 3.424 7.548 1.00 0.00 C ATOM 1093 O THR A 70 -1.089 2.429 8.248 1.00 0.00 O ATOM 1094 CB THR A 70 -0.569 3.793 5.191 1.00 0.00 C ATOM 1095 OG1 THR A 70 -1.125 4.464 4.070 1.00 0.00 O ATOM 1096 CG2 THR A 70 0.283 2.616 4.714 1.00 0.00 C ATOM 0 H THR A 70 -2.811 4.819 5.186 1.00 0.00 H new ATOM 0 HA THR A 70 -1.891 2.230 5.874 1.00 0.00 H new ATOM 0 HB THR A 70 0.058 4.483 5.755 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.456 3.805 3.425 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.087 2.984 4.076 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.710 2.103 5.576 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.339 1.922 4.150 1.00 0.00 H new ATOM 1104 N SER A 71 -1.145 4.665 7.999 1.00 0.00 N ATOM 1105 CA SER A 71 -0.743 4.930 9.376 1.00 0.00 C ATOM 1106 C SER A 71 -1.807 4.449 10.359 1.00 0.00 C ATOM 1107 O SER A 71 -1.511 4.179 11.523 1.00 0.00 O ATOM 1108 CB SER A 71 -0.508 6.428 9.567 1.00 0.00 C ATOM 1109 OG SER A 71 0.637 6.821 8.819 1.00 0.00 O ATOM 0 H SER A 71 -1.304 5.500 7.435 1.00 0.00 H new ATOM 0 HA SER A 71 0.180 4.385 9.573 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.382 6.990 9.239 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.362 6.654 10.623 1.00 0.00 H new ATOM 0 HG SER A 71 0.791 7.782 8.937 1.00 0.00 H new ATOM 1115 N ASN A 72 -3.045 4.346 9.887 1.00 0.00 N ATOM 1116 CA ASN A 72 -4.141 3.898 10.741 1.00 0.00 C ATOM 1117 C ASN A 72 -4.229 2.376 10.744 1.00 0.00 C ATOM 1118 O ASN A 72 -4.338 1.752 11.799 1.00 0.00 O ATOM 1119 CB ASN A 72 -5.464 4.484 10.246 1.00 0.00 C ATOM 1120 CG ASN A 72 -5.753 5.800 10.961 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -4.852 6.620 11.142 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -6.962 6.052 11.380 1.00 0.00 N ATOM 0 H ASN A 72 -3.314 4.564 8.928 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.948 4.243 11.757 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.418 4.648 9.169 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.274 3.777 10.426 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.163 6.930 11.859 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.706 5.371 11.229 1.00 0.00 H new ATOM 1129 N ASN A 73 -4.182 1.786 9.555 1.00 0.00 N ATOM 1130 CA ASN A 73 -4.259 0.337 9.431 1.00 0.00 C ATOM 1131 C ASN A 73 -2.881 -0.286 9.625 1.00 0.00 C ATOM 1132 O ASN A 73 -2.761 -1.488 9.863 1.00 0.00 O ATOM 1133 CB ASN A 73 -4.806 -0.039 8.053 1.00 0.00 C ATOM 1134 CG ASN A 73 -5.796 -1.191 8.182 1.00 0.00 C ATOM 1135 OD1 ASN A 73 -6.590 -1.227 9.122 1.00 0.00 O ATOM 1136 ND2 ASN A 73 -5.797 -2.141 7.288 1.00 0.00 N ATOM 0 H ASN A 73 -4.092 2.285 8.670 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.929 -0.044 10.201 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.295 0.823 7.599 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.987 -0.325 7.393 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.456 -2.915 7.367 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.138 -2.110 6.510 1.00 0.00 H new ATOM 1143 N ALA A 74 -1.845 0.541 9.529 1.00 0.00 N ATOM 1144 CA ALA A 74 -0.480 0.060 9.702 1.00 0.00 C ATOM 1145 C ALA A 74 -0.416 -0.930 10.858 1.00 0.00 C ATOM 1146 O ALA A 74 0.363 -1.884 10.830 1.00 0.00 O ATOM 1147 CB ALA A 74 0.459 1.235 9.982 1.00 0.00 C ATOM 0 H ALA A 74 -1.923 1.539 9.334 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.167 -0.439 8.785 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.476 0.865 10.110 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.429 1.932 9.145 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.142 1.746 10.891 1.00 0.00 H new ATOM 1153 N ASP A 75 -1.242 -0.698 11.874 1.00 0.00 N ATOM 1154 CA ASP A 75 -1.271 -1.578 13.036 1.00 0.00 C ATOM 1155 C ASP A 75 -1.901 -2.919 12.672 1.00 0.00 C ATOM 1156 O ASP A 75 -1.545 -3.955 13.235 1.00 0.00 O ATOM 1157 CB ASP A 75 -2.067 -0.927 14.168 1.00 0.00 C ATOM 1158 CG ASP A 75 -1.820 -1.674 15.475 1.00 0.00 C ATOM 1159 OD1 ASP A 75 -0.752 -1.505 16.038 1.00 0.00 O ATOM 1160 OD2 ASP A 75 -2.704 -2.405 15.892 1.00 0.00 O ATOM 0 H ASP A 75 -1.894 0.085 11.916 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.246 -1.747 13.367 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.775 0.118 14.276 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.130 -0.937 13.929 1.00 0.00 H new ATOM 1165 N LYS A 76 -2.838 -2.895 11.728 1.00 0.00 N ATOM 1166 CA LYS A 76 -3.506 -4.118 11.299 1.00 0.00 C ATOM 1167 C LYS A 76 -2.648 -4.869 10.285 1.00 0.00 C ATOM 1168 O LYS A 76 -2.803 -6.075 10.096 1.00 0.00 O ATOM 1169 CB LYS A 76 -4.862 -3.782 10.675 1.00 0.00 C ATOM 1170 CG LYS A 76 -5.831 -3.335 11.771 1.00 0.00 C ATOM 1171 CD LYS A 76 -6.550 -4.557 12.346 1.00 0.00 C ATOM 1172 CE LYS A 76 -7.096 -4.223 13.734 1.00 0.00 C ATOM 1173 NZ LYS A 76 -7.655 -5.455 14.359 1.00 0.00 N ATOM 0 H LYS A 76 -3.149 -2.050 11.250 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.657 -4.753 12.172 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.747 -2.992 9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.261 -4.653 10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.289 -2.814 12.560 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.557 -2.631 11.364 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.364 -4.857 11.686 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.863 -5.401 12.408 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.303 -3.813 14.359 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.869 -3.458 13.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.026 -5.227 15.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.423 -5.827 13.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.906 -6.171 14.445 1.00 0.00 H new ATOM 1187 N LEU A 77 -1.742 -4.144 9.634 1.00 0.00 N ATOM 1188 CA LEU A 77 -0.864 -4.749 8.638 1.00 0.00 C ATOM 1189 C LEU A 77 0.307 -5.460 9.313 1.00 0.00 C ATOM 1190 O LEU A 77 0.518 -6.656 9.113 1.00 0.00 O ATOM 1191 CB LEU A 77 -0.334 -3.671 7.690 1.00 0.00 C ATOM 1192 CG LEU A 77 -1.510 -2.915 7.070 1.00 0.00 C ATOM 1193 CD1 LEU A 77 -0.985 -1.733 6.253 1.00 0.00 C ATOM 1194 CD2 LEU A 77 -2.295 -3.856 6.155 1.00 0.00 C ATOM 0 H LEU A 77 -1.597 -3.144 9.777 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.438 -5.482 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.311 -2.980 8.232 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.273 -4.126 6.907 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.163 -2.548 7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.824 -1.195 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.425 -1.061 6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.332 -2.100 5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.133 -3.318 5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.641 -4.223 5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.670 -4.699 6.736 1.00 0.00 H new ATOM 1206 N ALA A 78 1.065 -4.715 10.111 1.00 0.00 N ATOM 1207 CA ALA A 78 2.213 -5.282 10.811 1.00 0.00 C ATOM 1208 C ALA A 78 1.782 -6.439 11.708 1.00 0.00 C ATOM 1209 O ALA A 78 2.598 -7.281 12.084 1.00 0.00 O ATOM 1210 CB ALA A 78 2.886 -4.203 11.663 1.00 0.00 C ATOM 0 H ALA A 78 0.907 -3.723 10.289 1.00 0.00 H new ATOM 0 HA ALA A 78 2.917 -5.657 10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.742 -4.632 12.183 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.222 -3.389 11.021 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.173 -3.819 12.393 1.00 0.00 H new ATOM 1216 N ALA A 79 0.500 -6.468 12.052 1.00 0.00 N ATOM 1217 CA ALA A 79 -0.029 -7.520 12.912 1.00 0.00 C ATOM 1218 C ALA A 79 0.090 -8.888 12.245 1.00 0.00 C ATOM 1219 O ALA A 79 0.654 -9.820 12.818 1.00 0.00 O ATOM 1220 CB ALA A 79 -1.497 -7.238 13.235 1.00 0.00 C ATOM 0 H ALA A 79 -0.189 -5.779 11.751 1.00 0.00 H new ATOM 0 HA ALA A 79 0.556 -7.531 13.831 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.886 -8.028 13.878 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.579 -6.279 13.747 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.073 -7.206 12.310 1.00 0.00 H new ATOM 1226 N ILE A 80 -0.453 -9.005 11.037 1.00 0.00 N ATOM 1227 CA ILE A 80 -0.411 -10.270 10.311 1.00 0.00 C ATOM 1228 C ILE A 80 0.870 -10.394 9.491 1.00 0.00 C ATOM 1229 O ILE A 80 1.251 -11.492 9.085 1.00 0.00 O ATOM 1230 CB ILE A 80 -1.622 -10.377 9.382 1.00 0.00 C ATOM 1231 CG1 ILE A 80 -2.685 -9.360 9.811 1.00 0.00 C ATOM 1232 CG2 ILE A 80 -2.207 -11.787 9.464 1.00 0.00 C ATOM 1233 CD1 ILE A 80 -4.041 -9.762 9.228 1.00 0.00 C ATOM 0 H ILE A 80 -0.923 -8.246 10.544 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.433 -11.078 11.042 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.312 -10.171 8.357 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.743 -9.316 10.899 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.410 -8.363 9.466 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.070 -11.862 8.802 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.452 -12.512 9.160 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.517 -11.993 10.488 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.797 -9.039 9.533 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.977 -9.783 8.140 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.316 -10.751 9.595 1.00 0.00 H new ATOM 1245 N ALA A 81 1.530 -9.268 9.245 1.00 0.00 N ATOM 1246 CA ALA A 81 2.764 -9.275 8.465 1.00 0.00 C ATOM 1247 C ALA A 81 3.972 -9.532 9.362 1.00 0.00 C ATOM 1248 O ALA A 81 5.111 -9.538 8.895 1.00 0.00 O ATOM 1249 CB ALA A 81 2.934 -7.936 7.747 1.00 0.00 C ATOM 0 H ALA A 81 1.236 -8.347 9.570 1.00 0.00 H new ATOM 0 HA ALA A 81 2.699 -10.077 7.730 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.857 -7.949 7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.088 -7.771 7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.978 -7.132 8.482 1.00 0.00 H new ATOM 1255 N ALA A 82 3.719 -9.746 10.648 1.00 0.00 N ATOM 1256 CA ALA A 82 4.799 -10.004 11.594 1.00 0.00 C ATOM 1257 C ALA A 82 5.865 -8.917 11.506 1.00 0.00 C ATOM 1258 O ALA A 82 5.745 -7.975 10.723 1.00 0.00 O ATOM 1259 CB ALA A 82 5.428 -11.368 11.309 1.00 0.00 C ATOM 0 H ALA A 82 2.785 -9.746 11.057 1.00 0.00 H new ATOM 0 HA ALA A 82 4.382 -10.001 12.601 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.233 -11.553 12.020 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.671 -12.146 11.408 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.829 -11.379 10.295 1.00 0.00 H new ATOM 1265 N PRO A 83 6.892 -9.032 12.302 1.00 0.00 N ATOM 1266 CA PRO A 83 8.005 -8.040 12.336 1.00 0.00 C ATOM 1267 C PRO A 83 8.721 -7.921 10.993 1.00 0.00 C ATOM 1268 O PRO A 83 9.746 -7.246 10.885 1.00 0.00 O ATOM 1269 CB PRO A 83 8.953 -8.574 13.415 1.00 0.00 C ATOM 1270 CG PRO A 83 8.167 -9.572 14.200 1.00 0.00 C ATOM 1271 CD PRO A 83 7.104 -10.124 13.258 1.00 0.00 C ATOM 0 HA PRO A 83 7.639 -7.036 12.549 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.833 -9.036 12.967 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.308 -7.767 14.056 1.00 0.00 H new ATOM 0 HG2 PRO A 83 8.811 -10.370 14.568 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.708 -9.105 15.072 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.442 -11.033 12.760 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.187 -10.375 13.791 1.00 0.00 H new ATOM 1279 N ALA A 84 8.178 -8.573 9.969 1.00 0.00 N ATOM 1280 CA ALA A 84 8.779 -8.520 8.641 1.00 0.00 C ATOM 1281 C ALA A 84 9.136 -7.081 8.279 1.00 0.00 C ATOM 1282 O ALA A 84 8.737 -6.142 8.969 1.00 0.00 O ATOM 1283 CB ALA A 84 7.805 -9.080 7.603 1.00 0.00 C ATOM 0 H ALA A 84 7.332 -9.139 10.032 1.00 0.00 H new ATOM 0 HA ALA A 84 9.687 -9.122 8.647 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.262 -9.036 6.614 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.568 -10.115 7.848 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.890 -8.488 7.606 1.00 0.00 H new ATOM 1289 N GLU A 85 9.886 -6.912 7.194 1.00 0.00 N ATOM 1290 CA GLU A 85 10.281 -5.578 6.758 1.00 0.00 C ATOM 1291 C GLU A 85 9.099 -4.863 6.113 1.00 0.00 C ATOM 1292 O GLU A 85 8.743 -5.141 4.968 1.00 0.00 O ATOM 1293 CB GLU A 85 11.433 -5.673 5.756 1.00 0.00 C ATOM 1294 CG GLU A 85 12.753 -5.839 6.512 1.00 0.00 C ATOM 1295 CD GLU A 85 13.406 -4.476 6.727 1.00 0.00 C ATOM 1296 OE1 GLU A 85 12.823 -3.667 7.429 1.00 0.00 O ATOM 1297 OE2 GLU A 85 14.479 -4.264 6.187 1.00 0.00 O ATOM 0 H GLU A 85 10.229 -7.673 6.607 1.00 0.00 H new ATOM 0 HA GLU A 85 10.609 -5.010 7.629 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.277 -6.518 5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.466 -4.776 5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.573 -6.321 7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.424 -6.489 5.950 1.00 0.00 H new ATOM 1304 N ILE A 86 8.487 -3.948 6.858 1.00 0.00 N ATOM 1305 CA ILE A 86 7.339 -3.211 6.347 1.00 0.00 C ATOM 1306 C ILE A 86 7.697 -1.752 6.088 1.00 0.00 C ATOM 1307 O ILE A 86 8.303 -1.089 6.929 1.00 0.00 O ATOM 1308 CB ILE A 86 6.188 -3.281 7.351 1.00 0.00 C ATOM 1309 CG1 ILE A 86 6.389 -4.486 8.270 1.00 0.00 C ATOM 1310 CG2 ILE A 86 4.863 -3.428 6.602 1.00 0.00 C ATOM 1311 CD1 ILE A 86 5.053 -4.869 8.910 1.00 0.00 C ATOM 0 H ILE A 86 8.764 -3.701 7.808 1.00 0.00 H new ATOM 0 HA ILE A 86 7.035 -3.667 5.405 1.00 0.00 H new ATOM 0 HB ILE A 86 6.169 -2.367 7.945 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.787 -5.327 7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.120 -4.249 9.043 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.043 -3.478 7.319 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.719 -2.570 5.945 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.881 -4.341 6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.196 -5.728 9.565 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.674 -4.029 9.491 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.336 -5.123 8.130 1.00 0.00 H new ATOM 1323 N PHE A 87 7.302 -1.260 4.920 1.00 0.00 N ATOM 1324 CA PHE A 87 7.565 0.125 4.553 1.00 0.00 C ATOM 1325 C PHE A 87 6.258 0.810 4.171 1.00 0.00 C ATOM 1326 O PHE A 87 5.310 0.154 3.741 1.00 0.00 O ATOM 1327 CB PHE A 87 8.545 0.185 3.378 1.00 0.00 C ATOM 1328 CG PHE A 87 9.920 -0.228 3.846 1.00 0.00 C ATOM 1329 CD1 PHE A 87 10.569 0.507 4.846 1.00 0.00 C ATOM 1330 CD2 PHE A 87 10.549 -1.345 3.280 1.00 0.00 C ATOM 1331 CE1 PHE A 87 11.845 0.125 5.280 1.00 0.00 C ATOM 1332 CE2 PHE A 87 11.823 -1.726 3.713 1.00 0.00 C ATOM 1333 CZ PHE A 87 12.472 -0.991 4.714 1.00 0.00 C ATOM 0 H PHE A 87 6.800 -1.798 4.213 1.00 0.00 H new ATOM 0 HA PHE A 87 8.008 0.639 5.406 1.00 0.00 H new ATOM 0 HB2 PHE A 87 8.209 -0.473 2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.577 1.195 2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 87 10.086 1.368 5.283 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.049 -1.912 2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.345 0.692 6.051 1.00 0.00 H new ATOM 0 HE2 PHE A 87 12.307 -2.587 3.276 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.456 -1.286 5.049 1.00 0.00 H new ATOM 1343 N LEU A 88 6.204 2.128 4.335 1.00 0.00 N ATOM 1344 CA LEU A 88 4.989 2.866 4.003 1.00 0.00 C ATOM 1345 C LEU A 88 5.268 3.950 2.968 1.00 0.00 C ATOM 1346 O LEU A 88 6.267 4.665 3.053 1.00 0.00 O ATOM 1347 CB LEU A 88 4.398 3.501 5.265 1.00 0.00 C ATOM 1348 CG LEU A 88 4.382 2.471 6.395 1.00 0.00 C ATOM 1349 CD1 LEU A 88 3.874 3.131 7.679 1.00 0.00 C ATOM 1350 CD2 LEU A 88 3.453 1.316 6.016 1.00 0.00 C ATOM 0 H LEU A 88 6.972 2.699 4.689 1.00 0.00 H new ATOM 0 HA LEU A 88 4.274 2.161 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.988 4.369 5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.386 3.855 5.067 1.00 0.00 H new ATOM 0 HG LEU A 88 5.391 2.091 6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.862 2.397 8.485 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.533 3.956 7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.865 3.510 7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.440 0.580 6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.444 1.697 5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.812 0.846 5.100 1.00 0.00 H new ATOM 1362 N LEU A 89 4.372 4.065 1.993 1.00 0.00 N ATOM 1363 CA LEU A 89 4.516 5.066 0.942 1.00 0.00 C ATOM 1364 C LEU A 89 3.849 6.374 1.360 1.00 0.00 C ATOM 1365 O LEU A 89 2.658 6.576 1.127 1.00 0.00 O ATOM 1366 CB LEU A 89 3.880 4.554 -0.353 1.00 0.00 C ATOM 1367 CG LEU A 89 4.249 5.485 -1.509 1.00 0.00 C ATOM 1368 CD1 LEU A 89 4.680 4.650 -2.716 1.00 0.00 C ATOM 1369 CD2 LEU A 89 3.032 6.332 -1.886 1.00 0.00 C ATOM 0 H LEU A 89 3.541 3.479 1.909 1.00 0.00 H new ATOM 0 HA LEU A 89 5.578 5.249 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.225 3.542 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.797 4.505 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 89 5.068 6.137 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.943 5.312 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.544 4.042 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.860 4.000 -3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.292 6.997 -2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.215 5.679 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.721 6.925 -1.026 1.00 0.00 H new ATOM 1381 N GLU A 90 4.624 7.254 1.985 1.00 0.00 N ATOM 1382 CA GLU A 90 4.099 8.538 2.440 1.00 0.00 C ATOM 1383 C GLU A 90 3.155 9.138 1.404 1.00 0.00 C ATOM 1384 O GLU A 90 3.331 8.943 0.201 1.00 0.00 O ATOM 1385 CB GLU A 90 5.248 9.509 2.706 1.00 0.00 C ATOM 1386 CG GLU A 90 4.898 10.397 3.901 1.00 0.00 C ATOM 1387 CD GLU A 90 6.105 11.240 4.299 1.00 0.00 C ATOM 1388 OE1 GLU A 90 7.214 10.746 4.177 1.00 0.00 O ATOM 1389 OE2 GLU A 90 5.901 12.366 4.720 1.00 0.00 O ATOM 0 H GLU A 90 5.612 7.104 2.188 1.00 0.00 H new ATOM 0 HA GLU A 90 3.543 8.369 3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.166 8.957 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.431 10.123 1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.059 11.046 3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.582 9.780 4.742 1.00 0.00 H new ATOM 1396 N ASP A 91 2.154 9.873 1.882 1.00 0.00 N ATOM 1397 CA ASP A 91 1.183 10.506 0.996 1.00 0.00 C ATOM 1398 C ASP A 91 0.310 9.458 0.315 1.00 0.00 C ATOM 1399 O ASP A 91 -0.914 9.587 0.276 1.00 0.00 O ATOM 1400 CB ASP A 91 1.906 11.337 -0.065 1.00 0.00 C ATOM 1401 CG ASP A 91 2.964 12.215 0.596 1.00 0.00 C ATOM 1402 OD1 ASP A 91 2.585 13.161 1.266 1.00 0.00 O ATOM 1403 OD2 ASP A 91 4.137 11.928 0.421 1.00 0.00 O ATOM 0 H ASP A 91 1.995 10.044 2.875 1.00 0.00 H new ATOM 0 HA ASP A 91 0.546 11.156 1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.373 10.680 -0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.190 11.958 -0.603 1.00 0.00 H new ATOM 1408 N GLY A 92 0.946 8.423 -0.223 1.00 0.00 N ATOM 1409 CA GLY A 92 0.215 7.361 -0.903 1.00 0.00 C ATOM 1410 C GLY A 92 0.309 7.524 -2.415 1.00 0.00 C ATOM 1411 O GLY A 92 1.328 7.974 -2.937 1.00 0.00 O ATOM 0 H GLY A 92 1.958 8.297 -0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.618 6.391 -0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.830 7.378 -0.595 1.00 0.00 H new ATOM 1415 N ILE A 93 -0.760 7.157 -3.113 1.00 0.00 N ATOM 1416 CA ILE A 93 -0.784 7.272 -4.566 1.00 0.00 C ATOM 1417 C ILE A 93 -0.368 8.674 -4.997 1.00 0.00 C ATOM 1418 O ILE A 93 0.389 8.841 -5.954 1.00 0.00 O ATOM 1419 CB ILE A 93 -2.188 6.968 -5.089 1.00 0.00 C ATOM 1420 CG1 ILE A 93 -2.386 5.452 -5.168 1.00 0.00 C ATOM 1421 CG2 ILE A 93 -2.356 7.575 -6.484 1.00 0.00 C ATOM 1422 CD1 ILE A 93 -1.822 4.931 -6.490 1.00 0.00 C ATOM 0 H ILE A 93 -1.614 6.781 -2.701 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.079 6.553 -4.983 1.00 0.00 H new ATOM 0 HB ILE A 93 -2.927 7.398 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.886 4.965 -4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.446 5.209 -5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.357 7.358 -6.857 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.214 8.654 -6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.616 7.145 -7.159 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.963 3.852 -6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.342 5.408 -7.321 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.758 5.161 -6.548 1.00 0.00 H new ATOM 1434 N ASP A 94 -0.862 9.679 -4.282 1.00 0.00 N ATOM 1435 CA ASP A 94 -0.529 11.064 -4.599 1.00 0.00 C ATOM 1436 C ASP A 94 0.984 11.246 -4.660 1.00 0.00 C ATOM 1437 O ASP A 94 1.494 12.022 -5.468 1.00 0.00 O ATOM 1438 CB ASP A 94 -1.116 12.001 -3.542 1.00 0.00 C ATOM 1439 CG ASP A 94 -1.737 13.220 -4.215 1.00 0.00 C ATOM 1440 OD1 ASP A 94 -2.281 13.064 -5.296 1.00 0.00 O ATOM 1441 OD2 ASP A 94 -1.660 14.293 -3.639 1.00 0.00 O ATOM 0 H ASP A 94 -1.489 9.563 -3.486 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.955 11.307 -5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.870 11.475 -2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.336 12.316 -2.849 1.00 0.00 H new ATOM 1446 N GLY A 95 1.696 10.524 -3.800 1.00 0.00 N ATOM 1447 CA GLY A 95 3.150 10.610 -3.764 1.00 0.00 C ATOM 1448 C GLY A 95 3.763 9.957 -4.997 1.00 0.00 C ATOM 1449 O GLY A 95 4.642 10.526 -5.643 1.00 0.00 O ATOM 0 H GLY A 95 1.292 9.877 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.455 11.655 -3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.525 10.122 -2.864 1.00 0.00 H new ATOM 1453 N TRP A 96 3.290 8.757 -5.320 1.00 0.00 N ATOM 1454 CA TRP A 96 3.794 8.033 -6.481 1.00 0.00 C ATOM 1455 C TRP A 96 3.539 8.827 -7.755 1.00 0.00 C ATOM 1456 O TRP A 96 4.362 8.836 -8.671 1.00 0.00 O ATOM 1457 CB TRP A 96 3.108 6.669 -6.581 1.00 0.00 C ATOM 1458 CG TRP A 96 4.071 5.669 -7.138 1.00 0.00 C ATOM 1459 CD1 TRP A 96 5.222 5.284 -6.539 1.00 0.00 C ATOM 1460 CD2 TRP A 96 3.989 4.924 -8.388 1.00 0.00 C ATOM 1461 NE1 TRP A 96 5.853 4.353 -7.344 1.00 0.00 N ATOM 1462 CE2 TRP A 96 5.132 4.097 -8.493 1.00 0.00 C ATOM 1463 CE3 TRP A 96 3.044 4.887 -9.429 1.00 0.00 C ATOM 1464 CZ2 TRP A 96 5.331 3.262 -9.594 1.00 0.00 C ATOM 1465 CZ3 TRP A 96 3.241 4.047 -10.538 1.00 0.00 C ATOM 1466 CH2 TRP A 96 4.382 3.236 -10.620 1.00 0.00 C ATOM 0 H TRP A 96 2.563 8.268 -4.797 1.00 0.00 H new ATOM 0 HA TRP A 96 4.868 7.892 -6.363 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.763 6.350 -5.597 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.228 6.738 -7.220 1.00 0.00 H new ATOM 0 HD1 TRP A 96 5.588 5.644 -5.589 1.00 0.00 H new ATOM 0 HE1 TRP A 96 6.743 3.910 -7.116 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.162 5.508 -9.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 6.212 2.640 -9.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 2.509 4.026 -11.332 1.00 0.00 H new ATOM 0 HH2 TRP A 96 4.527 2.592 -11.475 1.00 0.00 H new ATOM 1477 N LYS A 97 2.392 9.498 -7.806 1.00 0.00 N ATOM 1478 CA LYS A 97 2.039 10.297 -8.973 1.00 0.00 C ATOM 1479 C LYS A 97 2.739 11.651 -8.921 1.00 0.00 C ATOM 1480 O LYS A 97 2.979 12.277 -9.955 1.00 0.00 O ATOM 1481 CB LYS A 97 0.524 10.501 -9.029 1.00 0.00 C ATOM 1482 CG LYS A 97 0.120 10.927 -10.442 1.00 0.00 C ATOM 1483 CD LYS A 97 -0.983 11.984 -10.363 1.00 0.00 C ATOM 1484 CE LYS A 97 -2.165 11.431 -9.563 1.00 0.00 C ATOM 1485 NZ LYS A 97 -3.441 11.890 -10.181 1.00 0.00 N ATOM 0 H LYS A 97 1.697 9.504 -7.059 1.00 0.00 H new ATOM 0 HA LYS A 97 2.363 9.766 -9.868 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.012 9.579 -8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.221 11.260 -8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.984 11.327 -10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.230 10.063 -11.007 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.601 12.888 -9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.307 12.262 -11.366 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.128 10.342 -9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.107 11.769 -8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.245 11.515 -9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.475 12.929 -10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.495 11.547 -11.161 1.00 0.00 H new ATOM 1499 N ARG A 98 3.065 12.097 -7.712 1.00 0.00 N ATOM 1500 CA ARG A 98 3.741 13.378 -7.537 1.00 0.00 C ATOM 1501 C ARG A 98 5.202 13.274 -7.962 1.00 0.00 C ATOM 1502 O ARG A 98 5.720 14.147 -8.659 1.00 0.00 O ATOM 1503 CB ARG A 98 3.664 13.810 -6.072 1.00 0.00 C ATOM 1504 CG ARG A 98 4.471 15.096 -5.875 1.00 0.00 C ATOM 1505 CD ARG A 98 3.820 15.946 -4.785 1.00 0.00 C ATOM 1506 NE ARG A 98 2.396 16.110 -5.057 1.00 0.00 N ATOM 1507 CZ ARG A 98 1.538 16.389 -4.082 1.00 0.00 C ATOM 1508 NH1 ARG A 98 1.964 16.517 -2.855 1.00 0.00 N ATOM 1509 NH2 ARG A 98 0.269 16.534 -4.351 1.00 0.00 N ATOM 0 H ARG A 98 2.874 11.595 -6.845 1.00 0.00 H new ATOM 0 HA ARG A 98 3.244 14.120 -8.162 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.625 13.972 -5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.054 13.021 -5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.497 14.855 -5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.516 15.656 -6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.960 15.473 -3.813 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.303 16.922 -4.737 1.00 0.00 H new ATOM 0 HE ARG A 98 2.053 16.009 -6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 98 2.956 16.403 -2.645 1.00 0.00 H new ATOM 0 HH12 ARG A 98 1.305 16.731 -2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.064 16.433 -5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.390 16.748 -3.602 1.00 0.00 H new ATOM 1523 N ALA A 99 5.859 12.199 -7.539 1.00 0.00 N ATOM 1524 CA ALA A 99 7.262 11.987 -7.881 1.00 0.00 C ATOM 1525 C ALA A 99 7.466 12.077 -9.389 1.00 0.00 C ATOM 1526 O ALA A 99 8.470 12.612 -9.859 1.00 0.00 O ATOM 1527 CB ALA A 99 7.717 10.616 -7.383 1.00 0.00 C ATOM 0 H ALA A 99 5.447 11.465 -6.963 1.00 0.00 H new ATOM 0 HA ALA A 99 7.856 12.764 -7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.765 10.464 -7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.599 10.565 -6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.112 9.840 -7.851 1.00 0.00 H new ATOM 1533 N GLY A 100 6.508 11.549 -10.143 1.00 0.00 N ATOM 1534 CA GLY A 100 6.594 11.573 -11.600 1.00 0.00 C ATOM 1535 C GLY A 100 6.443 10.169 -12.174 1.00 0.00 C ATOM 1536 O GLY A 100 7.201 9.763 -13.054 1.00 0.00 O ATOM 0 H GLY A 100 5.669 11.102 -9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.817 12.222 -12.004 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.552 11.995 -11.905 1.00 0.00 H new ATOM 1540 N LEU A 101 5.461 9.434 -11.666 1.00 0.00 N ATOM 1541 CA LEU A 101 5.217 8.075 -12.131 1.00 0.00 C ATOM 1542 C LEU A 101 3.777 7.933 -12.629 1.00 0.00 C ATOM 1543 O LEU A 101 2.842 7.901 -11.829 1.00 0.00 O ATOM 1544 CB LEU A 101 5.468 7.088 -10.990 1.00 0.00 C ATOM 1545 CG LEU A 101 6.684 7.548 -10.183 1.00 0.00 C ATOM 1546 CD1 LEU A 101 6.903 6.603 -9.000 1.00 0.00 C ATOM 1547 CD2 LEU A 101 7.924 7.537 -11.079 1.00 0.00 C ATOM 0 H LEU A 101 4.824 9.754 -10.936 1.00 0.00 H new ATOM 0 HA LEU A 101 5.896 7.858 -12.955 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.591 7.028 -10.346 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.639 6.088 -11.389 1.00 0.00 H new ATOM 0 HG LEU A 101 6.510 8.558 -9.812 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.770 6.932 -8.427 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.021 6.610 -8.360 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.075 5.592 -9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.791 7.865 -10.505 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.096 6.527 -11.450 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.770 8.212 -11.921 1.00 0.00 H new ATOM 1559 N PRO A 102 3.579 7.856 -13.921 1.00 0.00 N ATOM 1560 CA PRO A 102 2.219 7.724 -14.515 1.00 0.00 C ATOM 1561 C PRO A 102 1.373 6.680 -13.791 1.00 0.00 C ATOM 1562 O PRO A 102 1.902 5.731 -13.212 1.00 0.00 O ATOM 1563 CB PRO A 102 2.491 7.303 -15.960 1.00 0.00 C ATOM 1564 CG PRO A 102 3.854 7.824 -16.277 1.00 0.00 C ATOM 1565 CD PRO A 102 4.626 7.883 -14.957 1.00 0.00 C ATOM 0 HA PRO A 102 1.649 8.650 -14.439 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.450 6.219 -16.067 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.745 7.719 -16.637 1.00 0.00 H new ATOM 0 HG2 PRO A 102 4.359 7.174 -16.991 1.00 0.00 H new ATOM 0 HG3 PRO A 102 3.793 8.812 -16.733 1.00 0.00 H new ATOM 0 HD2 PRO A 102 5.307 7.038 -14.856 1.00 0.00 H new ATOM 0 HD3 PRO A 102 5.229 8.788 -14.889 1.00 0.00 H new ATOM 1573 N VAL A 103 0.058 6.865 -13.823 1.00 0.00 N ATOM 1574 CA VAL A 103 -0.852 5.946 -13.168 1.00 0.00 C ATOM 1575 C VAL A 103 -1.665 5.174 -14.202 1.00 0.00 C ATOM 1576 O VAL A 103 -1.654 5.507 -15.387 1.00 0.00 O ATOM 1577 CB VAL A 103 -1.796 6.730 -12.264 1.00 0.00 C ATOM 1578 CG1 VAL A 103 -0.987 7.506 -11.224 1.00 0.00 C ATOM 1579 CG2 VAL A 103 -2.614 7.709 -13.110 1.00 0.00 C ATOM 0 H VAL A 103 -0.397 7.645 -14.297 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.273 5.237 -12.576 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.467 6.038 -11.755 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.665 8.065 -10.579 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.406 6.809 -10.621 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.313 8.198 -11.729 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.290 8.271 -12.465 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.942 8.399 -13.620 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.194 7.155 -13.848 1.00 0.00 H new ATOM 1589 N ALA A 104 -2.371 4.145 -13.748 1.00 0.00 N ATOM 1590 CA ALA A 104 -3.185 3.338 -14.648 1.00 0.00 C ATOM 1591 C ALA A 104 -4.606 3.209 -14.110 1.00 0.00 C ATOM 1592 O ALA A 104 -4.816 3.124 -12.901 1.00 0.00 O ATOM 1593 CB ALA A 104 -2.565 1.949 -14.811 1.00 0.00 C ATOM 0 H ALA A 104 -2.397 3.852 -12.771 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.221 3.831 -15.619 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.180 1.353 -15.485 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.561 2.045 -15.225 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.511 1.458 -13.839 1.00 0.00 H new ATOM 1599 N VAL A 105 -5.578 3.195 -15.016 1.00 0.00 N ATOM 1600 CA VAL A 105 -6.975 3.076 -14.618 1.00 0.00 C ATOM 1601 C VAL A 105 -7.486 1.664 -14.884 1.00 0.00 C ATOM 1602 O VAL A 105 -7.310 1.125 -15.976 1.00 0.00 O ATOM 1603 CB VAL A 105 -7.826 4.078 -15.398 1.00 0.00 C ATOM 1604 CG1 VAL A 105 -9.125 4.346 -14.636 1.00 0.00 C ATOM 1605 CG2 VAL A 105 -7.051 5.389 -15.559 1.00 0.00 C ATOM 0 H VAL A 105 -5.426 3.264 -16.022 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.049 3.286 -13.551 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.058 3.669 -16.381 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.732 5.060 -15.192 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.677 3.414 -14.519 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.892 4.755 -13.653 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.657 6.104 -16.115 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.819 5.798 -14.575 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.125 5.200 -16.101 1.00 0.00 H new ATOM 1615 N ASN A 106 -8.121 1.070 -13.879 1.00 0.00 N ATOM 1616 CA ASN A 106 -8.656 -0.279 -14.021 1.00 0.00 C ATOM 1617 C ASN A 106 -9.812 -0.290 -15.013 1.00 0.00 C ATOM 1618 O ASN A 106 -10.890 0.233 -14.731 1.00 0.00 O ATOM 1619 CB ASN A 106 -9.141 -0.794 -12.665 1.00 0.00 C ATOM 1620 CG ASN A 106 -8.161 -1.826 -12.119 1.00 0.00 C ATOM 1621 OD1 ASN A 106 -6.979 -1.803 -12.460 1.00 0.00 O ATOM 1622 ND2 ASN A 106 -8.585 -2.736 -11.285 1.00 0.00 N ATOM 0 H ASN A 106 -8.277 1.497 -12.966 1.00 0.00 H new ATOM 0 HA ASN A 106 -7.864 -0.929 -14.393 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.236 0.036 -11.964 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.131 -1.239 -12.768 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.936 -3.430 -10.914 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.565 -2.753 -11.004 1.00 0.00 H new ATOM 1629 N LYS A 107 -9.581 -0.887 -16.177 1.00 0.00 N ATOM 1630 CA LYS A 107 -10.613 -0.956 -17.203 1.00 0.00 C ATOM 1631 C LYS A 107 -11.982 -1.186 -16.571 1.00 0.00 C ATOM 1632 O LYS A 107 -12.162 -2.224 -15.956 1.00 0.00 O ATOM 1633 CB LYS A 107 -10.301 -2.092 -18.178 1.00 0.00 C ATOM 1634 CG LYS A 107 -11.146 -1.927 -19.442 1.00 0.00 C ATOM 1635 CD LYS A 107 -11.480 -3.305 -20.013 1.00 0.00 C ATOM 1636 CE LYS A 107 -12.081 -3.147 -21.410 1.00 0.00 C ATOM 1637 NZ LYS A 107 -11.783 -4.363 -22.218 1.00 0.00 N ATOM 1638 OXT LYS A 107 -12.830 -0.319 -16.710 1.00 0.00 O ATOM 0 H LYS A 107 -8.696 -1.326 -16.432 1.00 0.00 H new ATOM 0 HA LYS A 107 -10.630 -0.008 -17.742 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.241 -2.086 -18.433 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -10.511 -3.054 -17.711 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -12.063 -1.385 -19.211 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.604 -1.337 -20.181 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.580 -3.919 -20.060 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.184 -3.820 -19.359 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -13.159 -2.999 -21.340 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.669 -2.263 -21.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.191 -4.257 -23.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.753 -4.485 -22.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.196 -5.197 -21.755 1.00 0.00 H new