USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 575 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 39 HIS : no HE2:sc= -0.913 K(o=0.1,f=-4.2!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 1.01 K(o=0.1,f=-5.3!) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 66:sc= 0.483 USER MOD Single : A 5 LYS NZ :NH3+ 163:sc= -0.03 (180deg=-0.269) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0981 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0447 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= 0.179 K(o=0.18,f=-1.7) USER MOD Single : A 16 LYS NZ :NH3+ 151:sc= 1.23 (180deg=1.14) USER MOD Single : A 21 THR OG1 : rot -100:sc= -0.0614 USER MOD Single : A 26 HIS : no HD1:sc= 0.707 K(o=0.71,f=-3.1!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -138:sc= -0.0876 (180deg=-1.7!) USER MOD Single : A 49 GLN : amide:sc= -0.37 K(o=-0.37,f=-3.9!) USER MOD Single : A 55 THR OG1 : rot 160:sc= -0.591 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -82:sc= 1.16 USER MOD Single : A 72 LYS NZ :NH3+ 161:sc= -0.0317 (180deg=-0.243) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -105:sc= 0.862 USER MOD Single : A 80 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.944 -7.927 -10.691 1.00 0.00 N ATOM 66 CA LYS A 5 1.610 -8.365 -9.476 1.00 0.00 C ATOM 67 C LYS A 5 0.520 -8.840 -8.518 1.00 0.00 C ATOM 68 O LYS A 5 0.155 -8.167 -7.558 1.00 0.00 O ATOM 69 CB LYS A 5 2.562 -7.281 -8.947 1.00 0.00 C ATOM 70 CG LYS A 5 4.018 -7.657 -9.256 1.00 0.00 C ATOM 71 CD LYS A 5 4.923 -6.425 -9.374 1.00 0.00 C ATOM 72 CE LYS A 5 6.292 -6.809 -9.947 1.00 0.00 C ATOM 73 NZ LYS A 5 6.204 -7.223 -11.367 1.00 0.00 N ATOM 0 HA LYS A 5 2.280 -9.209 -9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.322 -6.321 -9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.429 -7.164 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.397 -8.310 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.055 -8.223 -10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.451 -5.681 -10.016 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.050 -5.966 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.973 -5.962 -9.858 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.716 -7.622 -9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.151 -7.196 -11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.826 -8.190 -11.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.573 -6.574 -11.879 1.00 0.00 H new ATOM 87 N TYR A 6 -0.049 -9.996 -8.862 1.00 0.00 N ATOM 88 CA TYR A 6 -1.010 -10.689 -8.027 1.00 0.00 C ATOM 89 C TYR A 6 -0.290 -11.203 -6.784 1.00 0.00 C ATOM 90 O TYR A 6 0.607 -12.032 -6.916 1.00 0.00 O ATOM 91 CB TYR A 6 -1.638 -11.840 -8.824 1.00 0.00 C ATOM 92 CG TYR A 6 -2.496 -11.403 -9.998 1.00 0.00 C ATOM 93 CD1 TYR A 6 -3.536 -10.477 -9.798 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.320 -11.984 -11.268 1.00 0.00 C ATOM 95 CE1 TYR A 6 -4.418 -10.167 -10.846 1.00 0.00 C ATOM 96 CE2 TYR A 6 -3.175 -11.636 -12.330 1.00 0.00 C ATOM 97 CZ TYR A 6 -4.224 -10.724 -12.117 1.00 0.00 C ATOM 98 OH TYR A 6 -5.020 -10.337 -13.153 1.00 0.00 O ATOM 0 H TYR A 6 0.152 -10.476 -9.739 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.811 -10.017 -7.717 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.841 -12.485 -9.194 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.248 -12.441 -8.149 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.657 -10.003 -8.835 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.526 -12.699 -11.428 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.248 -9.498 -10.672 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.026 -12.069 -13.308 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.755 -10.816 -13.966 1.00 0.00 H new ATOM 108 N TYR A 7 -0.659 -10.714 -5.595 1.00 0.00 N ATOM 109 CA TYR A 7 -0.066 -11.181 -4.344 1.00 0.00 C ATOM 110 C TYR A 7 -1.144 -11.579 -3.337 1.00 0.00 C ATOM 111 O TYR A 7 -2.178 -10.916 -3.234 1.00 0.00 O ATOM 112 CB TYR A 7 0.881 -10.114 -3.791 1.00 0.00 C ATOM 113 CG TYR A 7 2.100 -9.857 -4.659 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.006 -10.906 -4.912 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.384 -8.563 -5.134 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.217 -10.654 -5.572 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.600 -8.314 -5.795 1.00 0.00 C ATOM 118 CZ TYR A 7 4.521 -9.354 -5.998 1.00 0.00 C ATOM 119 OH TYR A 7 5.736 -9.088 -6.556 1.00 0.00 O ATOM 0 H TYR A 7 -1.369 -9.992 -5.476 1.00 0.00 H new ATOM 0 HA TYR A 7 0.519 -12.080 -4.539 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.330 -9.181 -3.672 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.213 -10.417 -2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.766 -11.910 -4.596 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.671 -7.764 -4.991 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.914 -11.459 -5.752 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.826 -7.319 -6.148 1.00 0.00 H new ATOM 0 HH TYR A 7 5.785 -8.139 -6.797 1.00 0.00 H new ATOM 129 N THR A 8 -0.927 -12.700 -2.638 1.00 0.00 N ATOM 130 CA THR A 8 -1.866 -13.238 -1.664 1.00 0.00 C ATOM 131 C THR A 8 -1.721 -12.490 -0.337 1.00 0.00 C ATOM 132 O THR A 8 -0.801 -11.695 -0.142 1.00 0.00 O ATOM 133 CB THR A 8 -1.623 -14.746 -1.469 1.00 0.00 C ATOM 134 OG1 THR A 8 -0.349 -14.945 -0.896 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.698 -15.535 -2.780 1.00 0.00 C ATOM 0 H THR A 8 -0.081 -13.261 -2.739 1.00 0.00 H new ATOM 0 HA THR A 8 -2.883 -13.101 -2.032 1.00 0.00 H new ATOM 0 HB THR A 8 -2.414 -15.113 -0.815 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.193 -15.904 -0.770 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.519 -16.591 -2.580 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.687 -15.412 -3.222 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.942 -15.164 -3.472 1.00 0.00 H new ATOM 143 N LEU A 9 -2.635 -12.752 0.598 1.00 0.00 N ATOM 144 CA LEU A 9 -2.710 -12.016 1.844 1.00 0.00 C ATOM 145 C LEU A 9 -1.436 -12.263 2.645 1.00 0.00 C ATOM 146 O LEU A 9 -0.706 -11.327 2.952 1.00 0.00 O ATOM 147 CB LEU A 9 -3.963 -12.439 2.621 1.00 0.00 C ATOM 148 CG LEU A 9 -5.299 -11.944 2.037 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.440 -10.420 2.047 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.563 -12.445 0.619 1.00 0.00 C ATOM 0 H LEU A 9 -3.341 -13.482 0.505 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.789 -10.946 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.989 -13.528 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.876 -12.075 3.645 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.044 -12.372 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.404 -10.141 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.376 -10.055 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.640 -9.977 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.520 -12.059 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.769 -12.100 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.589 -13.535 0.617 1.00 0.00 H new ATOM 162 N GLU A 10 -1.160 -13.529 2.960 1.00 0.00 N ATOM 163 CA GLU A 10 0.012 -13.929 3.722 1.00 0.00 C ATOM 164 C GLU A 10 1.312 -13.449 3.072 1.00 0.00 C ATOM 165 O GLU A 10 2.208 -12.988 3.778 1.00 0.00 O ATOM 166 CB GLU A 10 -0.025 -15.438 3.952 1.00 0.00 C ATOM 167 CG GLU A 10 -0.082 -16.265 2.655 1.00 0.00 C ATOM 168 CD GLU A 10 -0.682 -17.635 2.926 1.00 0.00 C ATOM 169 OE1 GLU A 10 -1.752 -17.656 3.573 1.00 0.00 O ATOM 170 OE2 GLU A 10 -0.047 -18.635 2.535 1.00 0.00 O ATOM 0 H GLU A 10 -1.755 -14.311 2.687 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.011 -13.441 4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.858 -15.731 4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.893 -15.681 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.678 -15.741 1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.921 -16.375 2.242 1.00 0.00 H new ATOM 177 N GLU A 11 1.400 -13.519 1.737 1.00 0.00 N ATOM 178 CA GLU A 11 2.518 -12.954 0.992 1.00 0.00 C ATOM 179 C GLU A 11 2.717 -11.503 1.435 1.00 0.00 C ATOM 180 O GLU A 11 3.732 -11.150 2.030 1.00 0.00 O ATOM 181 CB GLU A 11 2.240 -13.066 -0.517 1.00 0.00 C ATOM 182 CG GLU A 11 3.411 -12.611 -1.396 1.00 0.00 C ATOM 183 CD GLU A 11 4.472 -13.694 -1.515 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.319 -13.768 -0.600 1.00 0.00 O ATOM 185 OE2 GLU A 11 4.395 -14.444 -2.512 1.00 0.00 O ATOM 0 H GLU A 11 0.697 -13.969 1.150 1.00 0.00 H new ATOM 0 HA GLU A 11 3.438 -13.503 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.998 -14.101 -0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.361 -12.469 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.043 -12.350 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.855 -11.710 -0.974 1.00 0.00 H new ATOM 192 N ILE A 12 1.713 -10.657 1.203 1.00 0.00 N ATOM 193 CA ILE A 12 1.829 -9.239 1.513 1.00 0.00 C ATOM 194 C ILE A 12 2.064 -9.033 3.013 1.00 0.00 C ATOM 195 O ILE A 12 2.800 -8.140 3.421 1.00 0.00 O ATOM 196 CB ILE A 12 0.594 -8.477 1.015 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.345 -8.726 -0.483 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.791 -6.973 1.254 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.148 -8.622 -0.783 1.00 0.00 C ATOM 0 H ILE A 12 0.816 -10.931 0.803 1.00 0.00 H new ATOM 0 HA ILE A 12 2.695 -8.833 0.990 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.273 -8.838 1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.897 -7.999 -1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.714 -9.713 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.086 -6.430 0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.927 -6.789 2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.672 -6.631 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.319 -8.799 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.689 -9.367 -0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.504 -7.626 -0.519 1.00 0.00 H new ATOM 211 N GLN A 13 1.470 -9.878 3.851 1.00 0.00 N ATOM 212 CA GLN A 13 1.629 -9.813 5.293 1.00 0.00 C ATOM 213 C GLN A 13 3.093 -10.046 5.690 1.00 0.00 C ATOM 214 O GLN A 13 3.590 -9.398 6.609 1.00 0.00 O ATOM 215 CB GLN A 13 0.654 -10.803 5.946 1.00 0.00 C ATOM 216 CG GLN A 13 0.246 -10.418 7.374 1.00 0.00 C ATOM 217 CD GLN A 13 -1.187 -10.868 7.654 1.00 0.00 C ATOM 218 OE1 GLN A 13 -1.568 -11.989 7.336 1.00 0.00 O ATOM 219 NE2 GLN A 13 -2.016 -9.986 8.209 1.00 0.00 N ATOM 0 H GLN A 13 0.859 -10.634 3.541 1.00 0.00 H new ATOM 0 HA GLN A 13 1.381 -8.817 5.659 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.242 -10.877 5.329 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.112 -11.792 5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.926 -10.879 8.091 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.328 -9.339 7.505 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.677 -9.059 8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.990 -10.238 8.378 1.00 0.00 H new ATOM 228 N LYS A 14 3.800 -10.921 4.963 1.00 0.00 N ATOM 229 CA LYS A 14 5.225 -11.167 5.163 1.00 0.00 C ATOM 230 C LYS A 14 6.074 -10.006 4.617 1.00 0.00 C ATOM 231 O LYS A 14 7.242 -9.876 4.982 1.00 0.00 O ATOM 232 CB LYS A 14 5.604 -12.545 4.581 1.00 0.00 C ATOM 233 CG LYS A 14 5.287 -13.647 5.613 1.00 0.00 C ATOM 234 CD LYS A 14 4.834 -14.974 4.985 1.00 0.00 C ATOM 235 CE LYS A 14 5.968 -15.864 4.447 1.00 0.00 C ATOM 236 NZ LYS A 14 6.579 -16.705 5.501 1.00 0.00 N ATOM 0 H LYS A 14 3.391 -11.480 4.214 1.00 0.00 H new ATOM 0 HA LYS A 14 5.444 -11.204 6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.051 -12.726 3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.664 -12.565 4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.173 -13.828 6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.507 -13.289 6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.274 -15.538 5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.147 -14.755 4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.578 -16.505 3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.737 -15.235 3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.337 -17.285 5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.976 -16.096 6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.854 -17.326 5.913 1.00 0.00 H new ATOM 250 N HIS A 15 5.503 -9.135 3.778 1.00 0.00 N ATOM 251 CA HIS A 15 6.173 -7.963 3.229 1.00 0.00 C ATOM 252 C HIS A 15 5.959 -6.757 4.151 1.00 0.00 C ATOM 253 O HIS A 15 4.984 -6.018 4.019 1.00 0.00 O ATOM 254 CB HIS A 15 5.648 -7.697 1.815 1.00 0.00 C ATOM 255 CG HIS A 15 6.312 -8.527 0.749 1.00 0.00 C ATOM 256 ND1 HIS A 15 6.950 -8.030 -0.363 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.415 -9.893 0.709 1.00 0.00 C ATOM 258 CE1 HIS A 15 7.416 -9.075 -1.065 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.125 -10.229 -0.447 1.00 0.00 N ATOM 0 H HIS A 15 4.540 -9.232 3.458 1.00 0.00 H new ATOM 0 HA HIS A 15 7.247 -8.141 3.166 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.575 -7.889 1.795 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.788 -6.642 1.579 1.00 0.00 H new ATOM 0 HD1 HIS A 15 7.051 -7.045 -0.610 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.019 -10.584 1.438 1.00 0.00 H new ATOM 0 HE1 HIS A 15 7.952 -8.997 -1.999 1.00 0.00 H new ATOM 267 N LYS A 16 6.889 -6.554 5.089 1.00 0.00 N ATOM 268 CA LYS A 16 6.884 -5.435 6.027 1.00 0.00 C ATOM 269 C LYS A 16 8.258 -4.772 6.058 1.00 0.00 C ATOM 270 O LYS A 16 8.370 -3.582 5.768 1.00 0.00 O ATOM 271 CB LYS A 16 6.471 -5.932 7.420 1.00 0.00 C ATOM 272 CG LYS A 16 4.955 -6.166 7.460 1.00 0.00 C ATOM 273 CD LYS A 16 4.495 -6.857 8.754 1.00 0.00 C ATOM 274 CE LYS A 16 3.905 -5.894 9.798 1.00 0.00 C ATOM 275 NZ LYS A 16 2.451 -5.678 9.617 1.00 0.00 N ATOM 0 H LYS A 16 7.684 -7.180 5.218 1.00 0.00 H new ATOM 0 HA LYS A 16 6.160 -4.688 5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.997 -6.857 7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.755 -5.200 8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.441 -5.210 7.361 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.663 -6.775 6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.748 -7.611 8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.342 -7.381 9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.088 -6.290 10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.421 -4.936 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.015 -5.465 10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.297 -4.880 8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.019 -6.537 9.219 1.00 0.00 H new ATOM 334 N SER A 20 11.088 -2.022 2.939 1.00 0.00 N ATOM 335 CA SER A 20 10.129 -2.645 2.014 1.00 0.00 C ATOM 336 C SER A 20 8.676 -2.573 2.520 1.00 0.00 C ATOM 337 O SER A 20 8.014 -3.592 2.719 1.00 0.00 O ATOM 338 CB SER A 20 10.578 -4.064 1.612 1.00 0.00 C ATOM 339 OG SER A 20 11.288 -4.033 0.389 1.00 0.00 O ATOM 0 HA SER A 20 10.129 -2.053 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.208 -4.487 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.708 -4.714 1.517 1.00 0.00 H new ATOM 0 HG SER A 20 11.567 -4.941 0.150 1.00 0.00 H new ATOM 345 N THR A 21 8.153 -1.357 2.683 1.00 0.00 N ATOM 346 CA THR A 21 6.791 -1.095 3.083 1.00 0.00 C ATOM 347 C THR A 21 5.839 -1.295 1.906 1.00 0.00 C ATOM 348 O THR A 21 5.742 -0.465 0.998 1.00 0.00 O ATOM 349 CB THR A 21 6.724 0.314 3.673 1.00 0.00 C ATOM 350 OG1 THR A 21 7.395 0.303 4.917 1.00 0.00 O ATOM 351 CG2 THR A 21 5.285 0.781 3.873 1.00 0.00 C ATOM 0 H THR A 21 8.694 -0.505 2.532 1.00 0.00 H new ATOM 0 HA THR A 21 6.471 -1.800 3.850 1.00 0.00 H new ATOM 0 HB THR A 21 7.196 1.008 2.977 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.738 0.246 5.642 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.284 1.786 4.294 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.768 0.789 2.913 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.773 0.102 4.555 1.00 0.00 H new ATOM 359 N TRP A 22 5.118 -2.414 1.967 1.00 0.00 N ATOM 360 CA TRP A 22 3.996 -2.728 1.107 1.00 0.00 C ATOM 361 C TRP A 22 2.703 -2.547 1.884 1.00 0.00 C ATOM 362 O TRP A 22 2.671 -2.695 3.105 1.00 0.00 O ATOM 363 CB TRP A 22 4.103 -4.168 0.645 1.00 0.00 C ATOM 364 CG TRP A 22 5.110 -4.426 -0.425 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.183 -3.668 -0.753 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.088 -5.515 -1.379 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.801 -4.207 -1.858 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.189 -5.368 -2.268 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.230 -6.610 -1.578 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.447 -6.289 -3.290 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.505 -7.570 -2.565 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.630 -7.425 -3.397 1.00 0.00 C ATOM 0 H TRP A 22 5.313 -3.150 2.646 1.00 0.00 H new ATOM 0 HA TRP A 22 4.002 -2.065 0.242 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.346 -4.790 1.506 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.126 -4.489 0.285 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.504 -2.780 -0.229 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.614 -3.796 -2.317 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.348 -6.714 -0.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.260 -6.128 -3.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.852 -8.421 -2.686 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.866 -8.191 -4.121 1.00 0.00 H new ATOM 383 N VAL A 23 1.637 -2.251 1.151 1.00 0.00 N ATOM 384 CA VAL A 23 0.303 -2.004 1.669 1.00 0.00 C ATOM 385 C VAL A 23 -0.690 -2.302 0.555 1.00 0.00 C ATOM 386 O VAL A 23 -0.315 -2.299 -0.623 1.00 0.00 O ATOM 387 CB VAL A 23 0.144 -0.542 2.129 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.700 -0.298 3.532 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.808 0.448 1.169 1.00 0.00 C ATOM 0 H VAL A 23 1.684 -2.174 0.135 1.00 0.00 H new ATOM 0 HA VAL A 23 0.125 -2.642 2.534 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.933 -0.372 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.560 0.749 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.174 -0.931 4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.763 -0.538 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.667 1.464 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.874 0.231 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.356 0.356 0.181 1.00 0.00 H new ATOM 399 N ILE A 24 -1.949 -2.540 0.941 1.00 0.00 N ATOM 400 CA ILE A 24 -3.048 -2.735 0.022 1.00 0.00 C ATOM 401 C ILE A 24 -4.173 -1.725 0.257 1.00 0.00 C ATOM 402 O ILE A 24 -4.581 -1.466 1.395 1.00 0.00 O ATOM 403 CB ILE A 24 -3.528 -4.184 0.033 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.977 -4.679 1.407 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.417 -5.106 -0.446 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.468 -4.987 1.406 1.00 0.00 C ATOM 0 H ILE A 24 -2.225 -2.601 1.921 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.682 -2.540 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.392 -4.206 -0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.416 -5.573 1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.757 -3.923 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.770 -6.137 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.129 -4.832 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.555 -5.010 0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.768 -5.338 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.026 -4.084 1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.679 -5.760 0.667 1.00 0.00 H new ATOM 418 N LEU A 25 -4.611 -1.111 -0.847 1.00 0.00 N ATOM 419 CA LEU A 25 -5.516 0.024 -0.887 1.00 0.00 C ATOM 420 C LEU A 25 -6.514 -0.231 -2.016 1.00 0.00 C ATOM 421 O LEU A 25 -6.168 -0.110 -3.190 1.00 0.00 O ATOM 422 CB LEU A 25 -4.748 1.335 -1.079 1.00 0.00 C ATOM 423 CG LEU A 25 -3.575 1.500 -0.098 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.587 2.495 -0.665 1.00 0.00 C ATOM 425 CD2 LEU A 25 -4.027 2.046 1.249 1.00 0.00 C ATOM 0 H LEU A 25 -4.325 -1.413 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.049 0.128 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.368 1.380 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.435 2.172 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.134 0.513 0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.754 2.615 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.214 2.132 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.081 3.456 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.165 2.146 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.491 3.022 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.749 1.362 1.695 1.00 0.00 H new ATOM 437 N HIS A 26 -7.738 -0.624 -1.670 1.00 0.00 N ATOM 438 CA HIS A 26 -8.810 -0.908 -2.633 1.00 0.00 C ATOM 439 C HIS A 26 -8.503 -2.160 -3.463 1.00 0.00 C ATOM 440 O HIS A 26 -8.513 -2.116 -4.692 1.00 0.00 O ATOM 441 CB HIS A 26 -9.085 0.301 -3.550 1.00 0.00 C ATOM 442 CG HIS A 26 -9.272 1.592 -2.804 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.437 2.015 -2.209 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.309 2.535 -2.562 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.178 3.192 -1.618 1.00 0.00 C ATOM 446 NE2 HIS A 26 -8.896 3.547 -1.805 1.00 0.00 N ATOM 0 H HIS A 26 -8.021 -0.757 -0.699 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.714 -1.101 -2.055 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.256 0.412 -4.249 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.978 0.101 -4.143 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.283 2.501 -2.897 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.902 3.774 -1.067 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.441 4.392 -1.460 1.00 0.00 H new ATOM 454 N HIS A 27 -8.222 -3.283 -2.790 1.00 0.00 N ATOM 455 CA HIS A 27 -7.874 -4.562 -3.418 1.00 0.00 C ATOM 456 C HIS A 27 -6.672 -4.454 -4.364 1.00 0.00 C ATOM 457 O HIS A 27 -6.453 -5.339 -5.191 1.00 0.00 O ATOM 458 CB HIS A 27 -9.089 -5.178 -4.133 1.00 0.00 C ATOM 459 CG HIS A 27 -10.128 -5.722 -3.193 1.00 0.00 C ATOM 460 ND1 HIS A 27 -10.223 -7.031 -2.776 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.174 -5.031 -2.646 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.311 -7.122 -1.992 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.923 -5.932 -1.884 1.00 0.00 N ATOM 0 H HIS A 27 -8.231 -3.328 -1.771 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.574 -5.231 -2.611 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.548 -4.421 -4.770 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.747 -5.980 -4.787 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.383 -3.980 -2.779 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.647 -8.030 -1.514 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.768 -5.726 -1.351 1.00 0.00 H new ATOM 471 N LYS A 28 -5.863 -3.402 -4.240 1.00 0.00 N ATOM 472 CA LYS A 28 -4.701 -3.193 -5.077 1.00 0.00 C ATOM 473 C LYS A 28 -3.479 -3.055 -4.186 1.00 0.00 C ATOM 474 O LYS A 28 -3.615 -2.553 -3.072 1.00 0.00 O ATOM 475 CB LYS A 28 -4.931 -1.999 -5.997 1.00 0.00 C ATOM 476 CG LYS A 28 -6.006 -2.363 -7.035 1.00 0.00 C ATOM 477 CD LYS A 28 -5.626 -1.848 -8.423 1.00 0.00 C ATOM 478 CE LYS A 28 -6.467 -2.548 -9.490 1.00 0.00 C ATOM 479 NZ LYS A 28 -6.188 -2.023 -10.838 1.00 0.00 N ATOM 0 H LYS A 28 -6.005 -2.668 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.527 -4.046 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.247 -1.132 -5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.002 -1.726 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.133 -3.445 -7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.964 -1.938 -6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.782 -0.770 -8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.567 -2.026 -8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.264 -3.619 -9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.525 -2.419 -9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.778 -2.523 -11.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.405 -1.006 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.184 -2.169 -11.066 1.00 0.00 H new ATOM 493 N VAL A 29 -2.322 -3.545 -4.645 1.00 0.00 N ATOM 494 CA VAL A 29 -1.100 -3.580 -3.854 1.00 0.00 C ATOM 495 C VAL A 29 -0.165 -2.495 -4.370 1.00 0.00 C ATOM 496 O VAL A 29 -0.018 -2.316 -5.585 1.00 0.00 O ATOM 497 CB VAL A 29 -0.439 -4.975 -3.872 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.699 -5.040 -2.838 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.421 -6.119 -3.576 1.00 0.00 C ATOM 0 H VAL A 29 -2.213 -3.930 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.338 -3.385 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.060 -5.110 -4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.156 -6.029 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.450 -4.287 -3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.298 -4.850 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.890 -7.071 -3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.858 -5.977 -2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.212 -6.122 -4.326 1.00 0.00 H new ATOM 509 N TYR A 30 0.444 -1.766 -3.434 1.00 0.00 N ATOM 510 CA TYR A 30 1.325 -0.652 -3.727 1.00 0.00 C ATOM 511 C TYR A 30 2.641 -0.880 -3.000 1.00 0.00 C ATOM 512 O TYR A 30 2.636 -1.241 -1.821 1.00 0.00 O ATOM 513 CB TYR A 30 0.664 0.659 -3.297 1.00 0.00 C ATOM 514 CG TYR A 30 -0.696 0.884 -3.923 1.00 0.00 C ATOM 515 CD1 TYR A 30 -1.816 0.205 -3.418 1.00 0.00 C ATOM 516 CD2 TYR A 30 -0.838 1.717 -5.045 1.00 0.00 C ATOM 517 CE1 TYR A 30 -3.058 0.348 -4.046 1.00 0.00 C ATOM 518 CE2 TYR A 30 -2.101 1.896 -5.639 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.221 1.238 -5.112 1.00 0.00 C ATOM 520 OH TYR A 30 -4.465 1.465 -5.621 1.00 0.00 O ATOM 0 H TYR A 30 0.332 -1.942 -2.436 1.00 0.00 H new ATOM 0 HA TYR A 30 1.519 -0.584 -4.797 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.561 0.666 -2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.318 1.490 -3.560 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.719 -0.426 -2.547 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.025 2.222 -5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.900 -0.235 -3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.207 2.539 -6.500 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.405 2.110 -6.357 1.00 0.00 H new ATOM 530 N ASP A 31 3.753 -0.677 -3.711 1.00 0.00 N ATOM 531 CA ASP A 31 5.081 -0.684 -3.122 1.00 0.00 C ATOM 532 C ASP A 31 5.428 0.771 -2.857 1.00 0.00 C ATOM 533 O ASP A 31 5.415 1.579 -3.786 1.00 0.00 O ATOM 534 CB ASP A 31 6.102 -1.325 -4.070 1.00 0.00 C ATOM 535 CG ASP A 31 7.485 -1.364 -3.436 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.932 -0.310 -2.935 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.070 -2.466 -3.387 1.00 0.00 O ATOM 0 H ASP A 31 3.750 -0.503 -4.716 1.00 0.00 H new ATOM 0 HA ASP A 31 5.103 -1.272 -2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.785 -2.337 -4.322 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.141 -0.762 -5.003 1.00 0.00 H new ATOM 542 N LEU A 32 5.699 1.115 -1.597 1.00 0.00 N ATOM 543 CA LEU A 32 6.029 2.481 -1.236 1.00 0.00 C ATOM 544 C LEU A 32 7.454 2.556 -0.685 1.00 0.00 C ATOM 545 O LEU A 32 7.791 3.468 0.066 1.00 0.00 O ATOM 546 CB LEU A 32 4.965 2.971 -0.252 1.00 0.00 C ATOM 547 CG LEU A 32 3.536 2.788 -0.811 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.561 3.116 0.299 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.165 3.636 -2.037 1.00 0.00 C ATOM 0 H LEU A 32 5.695 0.461 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 32 6.019 3.140 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.060 2.426 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.135 4.024 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 32 3.491 1.755 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.541 2.996 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.727 2.443 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.712 4.146 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.139 3.418 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.254 4.694 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.839 3.399 -2.860 1.00 0.00 H new ATOM 561 N THR A 33 8.319 1.633 -1.104 1.00 0.00 N ATOM 562 CA THR A 33 9.649 1.436 -0.546 1.00 0.00 C ATOM 563 C THR A 33 10.537 2.663 -0.736 1.00 0.00 C ATOM 564 O THR A 33 11.332 3.005 0.138 1.00 0.00 O ATOM 565 CB THR A 33 10.246 0.169 -1.171 1.00 0.00 C ATOM 566 OG1 THR A 33 9.390 -0.901 -0.844 1.00 0.00 O ATOM 567 CG2 THR A 33 11.672 -0.145 -0.712 1.00 0.00 C ATOM 0 H THR A 33 8.104 0.986 -1.862 1.00 0.00 H new ATOM 0 HA THR A 33 9.581 1.303 0.534 1.00 0.00 H new ATOM 0 HB THR A 33 10.321 0.328 -2.247 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.522 -0.770 -1.280 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.019 -1.055 -1.200 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.330 0.683 -0.977 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.684 -0.286 0.369 1.00 0.00 H new ATOM 575 N LYS A 34 10.410 3.340 -1.881 1.00 0.00 N ATOM 576 CA LYS A 34 11.091 4.599 -2.138 1.00 0.00 C ATOM 577 C LYS A 34 10.146 5.790 -1.965 1.00 0.00 C ATOM 578 O LYS A 34 10.491 6.891 -2.385 1.00 0.00 O ATOM 579 CB LYS A 34 11.686 4.559 -3.548 1.00 0.00 C ATOM 580 CG LYS A 34 12.766 3.473 -3.701 1.00 0.00 C ATOM 581 CD LYS A 34 14.156 4.033 -4.048 1.00 0.00 C ATOM 582 CE LYS A 34 15.005 4.390 -2.817 1.00 0.00 C ATOM 583 NZ LYS A 34 14.437 5.494 -2.015 1.00 0.00 N ATOM 0 H LYS A 34 9.827 3.023 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 34 11.893 4.730 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.890 4.379 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.117 5.532 -3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.833 2.906 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.460 2.775 -4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.694 3.299 -4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.035 4.923 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.107 3.507 -2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.008 4.666 -3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.199 6.137 -1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.744 6.018 -2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.967 5.105 -1.173 1.00 0.00 H new ATOM 597 N PHE A 35 8.978 5.581 -1.350 1.00 0.00 N ATOM 598 CA PHE A 35 7.969 6.609 -1.144 1.00 0.00 C ATOM 599 C PHE A 35 7.752 6.874 0.346 1.00 0.00 C ATOM 600 O PHE A 35 7.039 7.806 0.691 1.00 0.00 O ATOM 601 CB PHE A 35 6.677 6.185 -1.844 1.00 0.00 C ATOM 602 CG PHE A 35 5.532 7.175 -1.770 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.676 8.475 -2.285 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.333 6.814 -1.135 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.604 9.381 -2.226 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.248 7.699 -1.109 1.00 0.00 C ATOM 607 CZ PHE A 35 3.390 8.992 -1.635 1.00 0.00 C ATOM 0 H PHE A 35 8.708 4.671 -0.976 1.00 0.00 H new ATOM 0 HA PHE A 35 8.309 7.549 -1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.900 5.994 -2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.345 5.241 -1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.613 8.778 -2.727 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.247 5.846 -0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.713 10.375 -2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.305 7.387 -0.685 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.566 9.688 -1.586 1.00 0.00 H new ATOM 617 N LEU A 36 8.370 6.093 1.235 1.00 0.00 N ATOM 618 CA LEU A 36 8.200 6.226 2.670 1.00 0.00 C ATOM 619 C LEU A 36 8.385 7.681 3.119 1.00 0.00 C ATOM 620 O LEU A 36 7.433 8.310 3.568 1.00 0.00 O ATOM 621 CB LEU A 36 9.154 5.253 3.382 1.00 0.00 C ATOM 622 CG LEU A 36 8.640 3.803 3.422 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.579 2.910 4.241 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.226 3.721 4.015 1.00 0.00 C ATOM 0 H LEU A 36 9.009 5.344 0.968 1.00 0.00 H new ATOM 0 HA LEU A 36 7.180 5.960 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.121 5.273 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.318 5.600 4.402 1.00 0.00 H new ATOM 0 HG LEU A 36 8.610 3.450 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.193 1.891 4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.572 2.916 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.641 3.287 5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.896 2.682 4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.235 4.111 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.541 4.312 3.406 1.00 0.00 H new ATOM 636 N GLU A 37 9.588 8.242 2.969 1.00 0.00 N ATOM 637 CA GLU A 37 9.811 9.640 3.323 1.00 0.00 C ATOM 638 C GLU A 37 9.055 10.578 2.372 1.00 0.00 C ATOM 639 O GLU A 37 8.442 11.548 2.811 1.00 0.00 O ATOM 640 CB GLU A 37 11.315 9.974 3.324 1.00 0.00 C ATOM 641 CG GLU A 37 11.825 10.465 4.693 1.00 0.00 C ATOM 642 CD GLU A 37 12.598 9.422 5.493 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.240 8.560 4.851 1.00 0.00 O ATOM 644 OE2 GLU A 37 12.585 9.562 6.734 1.00 0.00 O ATOM 0 H GLU A 37 10.409 7.755 2.610 1.00 0.00 H new ATOM 0 HA GLU A 37 9.424 9.792 4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.878 9.088 3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.511 10.740 2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.466 11.333 4.537 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.973 10.800 5.285 1.00 0.00 H new ATOM 651 N GLU A 38 9.147 10.308 1.065 1.00 0.00 N ATOM 652 CA GLU A 38 8.592 11.153 0.007 1.00 0.00 C ATOM 653 C GLU A 38 7.101 11.452 0.233 1.00 0.00 C ATOM 654 O GLU A 38 6.638 12.559 -0.032 1.00 0.00 O ATOM 655 CB GLU A 38 8.851 10.481 -1.355 1.00 0.00 C ATOM 656 CG GLU A 38 9.900 11.202 -2.221 1.00 0.00 C ATOM 657 CD GLU A 38 9.286 12.061 -3.324 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.125 12.491 -3.151 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.991 12.255 -4.337 1.00 0.00 O ATOM 0 H GLU A 38 9.620 9.478 0.708 1.00 0.00 H new ATOM 0 HA GLU A 38 9.092 12.122 0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.178 9.455 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.913 10.429 -1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.518 11.832 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.560 10.461 -2.672 1.00 0.00 H new ATOM 666 N HIS A 39 6.351 10.465 0.728 1.00 0.00 N ATOM 667 CA HIS A 39 4.942 10.579 1.060 1.00 0.00 C ATOM 668 C HIS A 39 4.642 11.881 1.812 1.00 0.00 C ATOM 669 O HIS A 39 5.121 12.043 2.937 1.00 0.00 O ATOM 670 CB HIS A 39 4.522 9.353 1.878 1.00 0.00 C ATOM 671 CG HIS A 39 3.123 9.420 2.426 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.802 9.468 3.758 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.952 9.331 1.724 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.466 9.409 3.853 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.898 9.297 2.638 1.00 0.00 N ATOM 0 H HIS A 39 6.727 9.535 0.913 1.00 0.00 H new ATOM 0 HA HIS A 39 4.362 10.613 0.138 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.611 8.466 1.251 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.218 9.229 2.707 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.460 9.536 4.535 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.859 9.294 0.649 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.917 9.446 4.783 1.00 0.00 H new ATOM 683 N PRO A 40 3.836 12.795 1.234 1.00 0.00 N ATOM 684 CA PRO A 40 3.479 14.062 1.856 1.00 0.00 C ATOM 685 C PRO A 40 2.556 13.793 3.046 1.00 0.00 C ATOM 686 O PRO A 40 1.340 13.945 2.967 1.00 0.00 O ATOM 687 CB PRO A 40 2.824 14.912 0.761 1.00 0.00 C ATOM 688 CG PRO A 40 2.322 13.894 -0.253 1.00 0.00 C ATOM 689 CD PRO A 40 3.202 12.662 -0.068 1.00 0.00 C ATOM 0 HA PRO A 40 4.339 14.600 2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.007 15.513 1.159 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.538 15.602 0.312 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.272 13.655 -0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.399 14.282 -1.269 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.607 11.750 -0.118 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.950 12.598 -0.858 1.00 0.00 H new ATOM 697 N GLY A 41 3.163 13.355 4.145 1.00 0.00 N ATOM 698 CA GLY A 41 2.486 12.836 5.315 1.00 0.00 C ATOM 699 C GLY A 41 3.479 12.090 6.204 1.00 0.00 C ATOM 700 O GLY A 41 3.378 12.178 7.425 1.00 0.00 O ATOM 0 H GLY A 41 4.178 13.354 4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.028 13.653 5.873 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.681 12.166 5.013 1.00 0.00 H new ATOM 704 N GLY A 42 4.448 11.376 5.609 1.00 0.00 N ATOM 705 CA GLY A 42 5.509 10.718 6.361 1.00 0.00 C ATOM 706 C GLY A 42 5.704 9.252 6.041 1.00 0.00 C ATOM 707 O GLY A 42 4.856 8.630 5.403 1.00 0.00 O ATOM 0 H GLY A 42 4.511 11.244 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.446 11.243 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.295 10.817 7.425 1.00 0.00 H new ATOM 711 N GLU A 43 6.783 8.697 6.600 1.00 0.00 N ATOM 712 CA GLU A 43 7.073 7.280 6.547 1.00 0.00 C ATOM 713 C GLU A 43 6.245 6.557 7.605 1.00 0.00 C ATOM 714 O GLU A 43 5.581 5.571 7.298 1.00 0.00 O ATOM 715 CB GLU A 43 8.580 7.053 6.786 1.00 0.00 C ATOM 716 CG GLU A 43 8.935 5.594 7.130 1.00 0.00 C ATOM 717 CD GLU A 43 10.439 5.362 7.208 1.00 0.00 C ATOM 718 OE1 GLU A 43 11.121 6.270 7.719 1.00 0.00 O ATOM 719 OE2 GLU A 43 10.876 4.269 6.790 1.00 0.00 O ATOM 0 H GLU A 43 7.484 9.237 7.108 1.00 0.00 H new ATOM 0 HA GLU A 43 6.814 6.883 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.130 7.352 5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.913 7.700 7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.480 5.328 8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.507 4.932 6.377 1.00 0.00 H new ATOM 726 N GLU A 44 6.318 7.019 8.859 1.00 0.00 N ATOM 727 CA GLU A 44 5.859 6.253 10.011 1.00 0.00 C ATOM 728 C GLU A 44 4.447 5.716 9.788 1.00 0.00 C ATOM 729 O GLU A 44 4.230 4.513 9.882 1.00 0.00 O ATOM 730 CB GLU A 44 5.932 7.081 11.301 1.00 0.00 C ATOM 731 CG GLU A 44 5.919 6.148 12.523 1.00 0.00 C ATOM 732 CD GLU A 44 5.189 6.774 13.703 1.00 0.00 C ATOM 733 OE1 GLU A 44 5.810 7.634 14.362 1.00 0.00 O ATOM 734 OE2 GLU A 44 4.015 6.399 13.902 1.00 0.00 O ATOM 0 H GLU A 44 6.698 7.935 9.098 1.00 0.00 H new ATOM 0 HA GLU A 44 6.530 5.402 10.125 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.839 7.686 11.304 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.089 7.770 11.350 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.439 5.206 12.257 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.943 5.913 12.812 1.00 0.00 H new ATOM 741 N VAL A 45 3.505 6.595 9.431 1.00 0.00 N ATOM 742 CA VAL A 45 2.127 6.221 9.168 1.00 0.00 C ATOM 743 C VAL A 45 2.056 5.041 8.184 1.00 0.00 C ATOM 744 O VAL A 45 1.362 4.055 8.433 1.00 0.00 O ATOM 745 CB VAL A 45 1.329 7.465 8.728 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.320 8.544 9.824 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.810 8.091 7.413 1.00 0.00 C ATOM 0 H VAL A 45 3.687 7.592 9.318 1.00 0.00 H new ATOM 0 HA VAL A 45 1.654 5.857 10.080 1.00 0.00 H new ATOM 0 HB VAL A 45 0.319 7.094 8.556 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.749 9.407 9.481 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.861 8.141 10.727 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.343 8.850 10.042 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.195 8.960 7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.850 8.400 7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.727 7.359 6.610 1.00 0.00 H new ATOM 757 N LEU A 46 2.829 5.099 7.096 1.00 0.00 N ATOM 758 CA LEU A 46 2.925 4.003 6.143 1.00 0.00 C ATOM 759 C LEU A 46 3.508 2.762 6.822 1.00 0.00 C ATOM 760 O LEU A 46 2.921 1.681 6.762 1.00 0.00 O ATOM 761 CB LEU A 46 3.758 4.428 4.913 1.00 0.00 C ATOM 762 CG LEU A 46 2.966 5.107 3.788 1.00 0.00 C ATOM 763 CD1 LEU A 46 1.889 4.157 3.255 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.262 6.379 4.221 1.00 0.00 C ATOM 0 H LEU A 46 3.403 5.908 6.856 1.00 0.00 H new ATOM 0 HA LEU A 46 1.926 3.749 5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.543 5.108 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.251 3.545 4.506 1.00 0.00 H new ATOM 0 HG LEU A 46 3.704 5.361 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.333 4.649 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.360 3.254 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.207 3.891 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.723 6.803 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.558 6.151 5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.998 7.098 4.579 1.00 0.00 H new ATOM 776 N ARG A 47 4.662 2.914 7.473 1.00 0.00 N ATOM 777 CA ARG A 47 5.403 1.813 8.079 1.00 0.00 C ATOM 778 C ARG A 47 4.567 1.076 9.131 1.00 0.00 C ATOM 779 O ARG A 47 4.661 -0.144 9.265 1.00 0.00 O ATOM 780 CB ARG A 47 6.764 2.331 8.582 1.00 0.00 C ATOM 781 CG ARG A 47 7.958 1.377 8.391 1.00 0.00 C ATOM 782 CD ARG A 47 8.124 0.323 9.492 1.00 0.00 C ATOM 783 NE ARG A 47 7.272 -0.851 9.268 1.00 0.00 N ATOM 784 CZ ARG A 47 7.204 -1.912 10.084 1.00 0.00 C ATOM 785 NH1 ARG A 47 7.924 -1.933 11.211 1.00 0.00 N ATOM 786 NH2 ARG A 47 6.410 -2.942 9.777 1.00 0.00 N ATOM 0 H ARG A 47 5.113 3.821 7.595 1.00 0.00 H new ATOM 0 HA ARG A 47 5.616 1.049 7.331 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.986 3.267 8.070 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.674 2.561 9.644 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.848 0.867 7.434 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.872 1.969 8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.167 0.010 9.538 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.881 0.767 10.457 1.00 0.00 H new ATOM 0 HE ARG A 47 6.690 -0.860 8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.523 -1.142 11.448 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.874 -2.740 11.833 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.855 -2.921 8.921 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.359 -3.749 10.398 1.00 0.00 H new ATOM 800 N GLU A 48 3.712 1.820 9.826 1.00 0.00 N ATOM 801 CA GLU A 48 2.763 1.340 10.814 1.00 0.00 C ATOM 802 C GLU A 48 1.766 0.376 10.175 1.00 0.00 C ATOM 803 O GLU A 48 1.568 -0.737 10.661 1.00 0.00 O ATOM 804 CB GLU A 48 2.043 2.542 11.456 1.00 0.00 C ATOM 805 CG GLU A 48 2.565 2.823 12.870 1.00 0.00 C ATOM 806 CD GLU A 48 2.192 1.703 13.833 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.973 1.465 13.976 1.00 0.00 O ATOM 808 OE2 GLU A 48 3.128 1.080 14.380 1.00 0.00 O ATOM 0 H GLU A 48 3.664 2.832 9.705 1.00 0.00 H new ATOM 0 HA GLU A 48 3.295 0.793 11.593 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.183 3.426 10.833 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.971 2.346 11.495 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.649 2.936 12.844 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.155 3.766 13.230 1.00 0.00 H new ATOM 815 N GLN A 49 1.129 0.794 9.077 1.00 0.00 N ATOM 816 CA GLN A 49 0.092 -0.022 8.458 1.00 0.00 C ATOM 817 C GLN A 49 0.711 -1.145 7.621 1.00 0.00 C ATOM 818 O GLN A 49 0.073 -2.165 7.385 1.00 0.00 O ATOM 819 CB GLN A 49 -0.890 0.852 7.659 1.00 0.00 C ATOM 820 CG GLN A 49 -2.329 0.652 8.162 1.00 0.00 C ATOM 821 CD GLN A 49 -2.793 -0.802 8.060 1.00 0.00 C ATOM 822 OE1 GLN A 49 -2.615 -1.448 7.035 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.386 -1.338 9.121 1.00 0.00 N ATOM 0 H GLN A 49 1.313 1.681 8.607 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.492 -0.504 9.242 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.609 1.901 7.752 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.831 0.599 6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.395 0.978 9.200 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.003 1.285 7.585 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.524 -0.781 9.964 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.704 -2.307 9.093 1.00 0.00 H new ATOM 832 N ALA A 50 1.955 -0.950 7.174 1.00 0.00 N ATOM 833 CA ALA A 50 2.681 -1.864 6.309 1.00 0.00 C ATOM 834 C ALA A 50 2.419 -3.347 6.586 1.00 0.00 C ATOM 835 O ALA A 50 2.451 -3.809 7.730 1.00 0.00 O ATOM 836 CB ALA A 50 4.170 -1.563 6.384 1.00 0.00 C ATOM 0 H ALA A 50 2.497 -0.121 7.417 1.00 0.00 H new ATOM 0 HA ALA A 50 2.305 -1.691 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.713 -2.250 5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.351 -0.538 6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.515 -1.686 7.411 1.00 0.00 H new ATOM 842 N GLY A 51 2.196 -4.103 5.512 1.00 0.00 N ATOM 843 CA GLY A 51 1.789 -5.494 5.572 1.00 0.00 C ATOM 844 C GLY A 51 0.448 -5.623 6.290 1.00 0.00 C ATOM 845 O GLY A 51 0.401 -6.138 7.410 1.00 0.00 O ATOM 0 H GLY A 51 2.297 -3.753 4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.710 -5.901 4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.546 -6.079 6.093 1.00 0.00 H new ATOM 849 N GLY A 52 -0.622 -5.152 5.641 1.00 0.00 N ATOM 850 CA GLY A 52 -1.986 -5.235 6.117 1.00 0.00 C ATOM 851 C GLY A 52 -2.894 -4.368 5.243 1.00 0.00 C ATOM 852 O GLY A 52 -2.418 -3.638 4.369 1.00 0.00 O ATOM 0 H GLY A 52 -0.547 -4.687 4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.326 -6.270 6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.040 -4.903 7.154 1.00 0.00 H new ATOM 856 N ASP A 53 -4.204 -4.487 5.483 1.00 0.00 N ATOM 857 CA ASP A 53 -5.250 -3.655 4.901 1.00 0.00 C ATOM 858 C ASP A 53 -5.092 -2.228 5.408 1.00 0.00 C ATOM 859 O ASP A 53 -5.521 -1.907 6.516 1.00 0.00 O ATOM 860 CB ASP A 53 -6.645 -4.210 5.268 1.00 0.00 C ATOM 861 CG ASP A 53 -7.417 -4.697 4.058 1.00 0.00 C ATOM 862 OD1 ASP A 53 -7.775 -3.826 3.237 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.613 -5.929 3.966 1.00 0.00 O ATOM 0 H ASP A 53 -4.575 -5.197 6.115 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.159 -3.663 3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.530 -5.031 5.975 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.220 -3.433 5.772 1.00 0.00 H new ATOM 868 N ALA A 54 -4.486 -1.361 4.593 1.00 0.00 N ATOM 869 CA ALA A 54 -4.321 0.038 4.949 1.00 0.00 C ATOM 870 C ALA A 54 -5.468 0.882 4.406 1.00 0.00 C ATOM 871 O ALA A 54 -5.575 2.057 4.757 1.00 0.00 O ATOM 872 CB ALA A 54 -2.954 0.525 4.479 1.00 0.00 C ATOM 0 H ALA A 54 -4.103 -1.611 3.681 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.357 0.145 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.830 1.575 4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.173 -0.066 4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.881 0.415 3.397 1.00 0.00 H new ATOM 878 N THR A 55 -6.322 0.289 3.562 1.00 0.00 N ATOM 879 CA THR A 55 -7.463 0.954 2.950 1.00 0.00 C ATOM 880 C THR A 55 -8.257 1.747 4.000 1.00 0.00 C ATOM 881 O THR A 55 -8.426 2.948 3.821 1.00 0.00 O ATOM 882 CB THR A 55 -8.332 -0.034 2.145 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.573 -0.922 1.340 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.197 0.738 1.145 1.00 0.00 C ATOM 0 H THR A 55 -6.231 -0.688 3.284 1.00 0.00 H new ATOM 0 HA THR A 55 -7.094 1.679 2.225 1.00 0.00 H new ATOM 0 HB THR A 55 -8.902 -0.588 2.891 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.117 -1.705 1.114 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.810 0.038 0.578 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.843 1.432 1.683 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.555 1.294 0.462 1.00 0.00 H new ATOM 892 N GLU A 56 -8.668 1.125 5.117 1.00 0.00 N ATOM 893 CA GLU A 56 -9.342 1.818 6.218 1.00 0.00 C ATOM 894 C GLU A 56 -8.628 3.117 6.610 1.00 0.00 C ATOM 895 O GLU A 56 -9.267 4.146 6.780 1.00 0.00 O ATOM 896 CB GLU A 56 -9.479 0.894 7.448 1.00 0.00 C ATOM 897 CG GLU A 56 -10.949 0.648 7.824 1.00 0.00 C ATOM 898 CD GLU A 56 -11.703 -0.142 6.761 1.00 0.00 C ATOM 899 OE1 GLU A 56 -11.052 -0.997 6.122 1.00 0.00 O ATOM 900 OE2 GLU A 56 -12.913 0.124 6.612 1.00 0.00 O ATOM 0 H GLU A 56 -8.540 0.126 5.279 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.337 2.084 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.994 -0.060 7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.958 1.339 8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.993 0.109 8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.445 1.606 7.979 1.00 0.00 H new ATOM 907 N ASN A 57 -7.303 3.075 6.768 1.00 0.00 N ATOM 908 CA ASN A 57 -6.514 4.202 7.262 1.00 0.00 C ATOM 909 C ASN A 57 -6.413 5.284 6.182 1.00 0.00 C ATOM 910 O ASN A 57 -6.598 6.477 6.410 1.00 0.00 O ATOM 911 CB ASN A 57 -5.128 3.676 7.664 1.00 0.00 C ATOM 912 CG ASN A 57 -4.411 4.587 8.655 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.622 5.792 8.689 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.540 4.009 9.478 1.00 0.00 N ATOM 0 H ASN A 57 -6.744 2.249 6.554 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.991 4.655 8.131 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.235 2.684 8.102 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.514 3.565 6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.030 4.572 10.158 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.383 3.002 9.429 1.00 0.00 H new ATOM 921 N PHE A 58 -6.136 4.839 4.959 1.00 0.00 N ATOM 922 CA PHE A 58 -6.108 5.700 3.794 1.00 0.00 C ATOM 923 C PHE A 58 -7.453 6.418 3.616 1.00 0.00 C ATOM 924 O PHE A 58 -7.470 7.623 3.371 1.00 0.00 O ATOM 925 CB PHE A 58 -5.694 4.850 2.591 1.00 0.00 C ATOM 926 CG PHE A 58 -5.758 5.512 1.230 1.00 0.00 C ATOM 927 CD1 PHE A 58 -6.973 5.517 0.523 1.00 0.00 C ATOM 928 CD2 PHE A 58 -4.585 5.961 0.595 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.025 5.996 -0.794 1.00 0.00 C ATOM 930 CE2 PHE A 58 -4.628 6.403 -0.738 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.849 6.419 -1.436 1.00 0.00 C ATOM 0 H PHE A 58 -5.924 3.863 4.754 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.376 6.499 3.909 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.672 4.507 2.754 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.328 3.964 2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.871 5.150 0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.649 5.966 1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.970 6.040 -1.315 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.723 6.731 -1.227 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.882 6.755 -2.462 1.00 0.00 H new ATOM 941 N GLU A 59 -8.568 5.700 3.764 1.00 0.00 N ATOM 942 CA GLU A 59 -9.914 6.235 3.606 1.00 0.00 C ATOM 943 C GLU A 59 -10.324 7.074 4.817 1.00 0.00 C ATOM 944 O GLU A 59 -11.033 8.062 4.651 1.00 0.00 O ATOM 945 CB GLU A 59 -10.914 5.097 3.352 1.00 0.00 C ATOM 946 CG GLU A 59 -10.905 4.637 1.886 1.00 0.00 C ATOM 947 CD GLU A 59 -11.465 5.701 0.945 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.578 6.190 1.238 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.786 5.986 -0.064 1.00 0.00 O ATOM 0 H GLU A 59 -8.556 4.708 4.002 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.920 6.895 2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.674 4.253 3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.917 5.429 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.885 4.393 1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.492 3.724 1.790 1.00 0.00 H new ATOM 956 N ASP A 60 -9.867 6.711 6.022 1.00 0.00 N ATOM 957 CA ASP A 60 -10.012 7.542 7.213 1.00 0.00 C ATOM 958 C ASP A 60 -9.547 8.958 6.874 1.00 0.00 C ATOM 959 O ASP A 60 -10.292 9.921 7.052 1.00 0.00 O ATOM 960 CB ASP A 60 -9.223 6.936 8.383 1.00 0.00 C ATOM 961 CG ASP A 60 -9.351 7.757 9.660 1.00 0.00 C ATOM 962 OD1 ASP A 60 -8.757 8.854 9.694 1.00 0.00 O ATOM 963 OD2 ASP A 60 -10.016 7.258 10.593 1.00 0.00 O ATOM 0 H ASP A 60 -9.385 5.829 6.194 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.055 7.585 7.527 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.577 5.922 8.570 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.171 6.860 8.107 1.00 0.00 H new ATOM 968 N VAL A 61 -8.345 9.068 6.294 1.00 0.00 N ATOM 969 CA VAL A 61 -7.839 10.356 5.838 1.00 0.00 C ATOM 970 C VAL A 61 -8.522 10.873 4.568 1.00 0.00 C ATOM 971 O VAL A 61 -8.769 12.073 4.456 1.00 0.00 O ATOM 972 CB VAL A 61 -6.304 10.410 5.867 1.00 0.00 C ATOM 973 CG1 VAL A 61 -5.775 11.709 5.242 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.823 10.350 7.324 1.00 0.00 C ATOM 0 H VAL A 61 -7.714 8.283 6.133 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.142 11.107 6.568 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.929 9.563 5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.686 11.713 5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.103 11.773 4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.161 12.564 5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.734 10.388 7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.229 11.198 7.876 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.164 9.422 7.782 1.00 0.00 H new ATOM 984 N GLY A 62 -8.851 10.000 3.618 1.00 0.00 N ATOM 985 CA GLY A 62 -9.645 10.350 2.449 1.00 0.00 C ATOM 986 C GLY A 62 -8.827 10.172 1.177 1.00 0.00 C ATOM 987 O GLY A 62 -9.220 9.418 0.295 1.00 0.00 O ATOM 0 H GLY A 62 -8.569 9.020 3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.536 9.724 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.985 11.383 2.529 1.00 0.00 H new ATOM 991 N HIS A 63 -7.693 10.875 1.085 1.00 0.00 N ATOM 992 CA HIS A 63 -6.761 10.783 -0.035 1.00 0.00 C ATOM 993 C HIS A 63 -7.445 10.959 -1.394 1.00 0.00 C ATOM 994 O HIS A 63 -7.581 10.017 -2.177 1.00 0.00 O ATOM 995 CB HIS A 63 -6.031 9.448 -0.004 1.00 0.00 C ATOM 996 CG HIS A 63 -4.980 9.320 1.054 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.123 8.683 2.259 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.651 9.567 0.873 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.895 8.542 2.785 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -2.958 9.055 1.966 1.00 0.00 N ATOM 0 H HIS A 63 -7.395 11.536 1.803 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.052 11.602 0.082 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.765 8.654 0.137 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.567 9.283 -0.976 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.000 8.373 2.679 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.211 10.073 0.026 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.687 8.079 3.738 1.00 0.00 H new ATOM 1008 N SER A 64 -7.822 12.193 -1.709 1.00 0.00 N ATOM 1009 CA SER A 64 -8.577 12.510 -2.905 1.00 0.00 C ATOM 1010 C SER A 64 -7.901 13.585 -3.734 1.00 0.00 C ATOM 1011 O SER A 64 -7.309 14.509 -3.191 1.00 0.00 O ATOM 1012 CB SER A 64 -9.972 12.946 -2.500 1.00 0.00 C ATOM 1013 OG SER A 64 -9.942 13.778 -1.353 1.00 0.00 O ATOM 0 H SER A 64 -7.607 13.006 -1.132 1.00 0.00 H new ATOM 0 HA SER A 64 -8.631 11.619 -3.530 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.442 13.480 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.585 12.068 -2.298 1.00 0.00 H new ATOM 0 HG SER A 64 -10.855 14.044 -1.118 1.00 0.00 H new ATOM 1019 N THR A 65 -8.025 13.445 -5.055 1.00 0.00 N ATOM 1020 CA THR A 65 -7.489 14.378 -6.043 1.00 0.00 C ATOM 1021 C THR A 65 -5.964 14.518 -5.913 1.00 0.00 C ATOM 1022 O THR A 65 -5.375 15.499 -6.357 1.00 0.00 O ATOM 1023 CB THR A 65 -8.268 15.699 -5.941 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.649 15.383 -6.000 1.00 0.00 O ATOM 1025 CG2 THR A 65 -7.952 16.696 -7.063 1.00 0.00 C ATOM 0 H THR A 65 -8.515 12.656 -5.477 1.00 0.00 H new ATOM 0 HA THR A 65 -7.634 13.997 -7.054 1.00 0.00 H new ATOM 0 HB THR A 65 -7.977 16.180 -5.007 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.176 16.207 -5.936 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.541 17.602 -6.921 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.891 16.945 -7.040 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.199 16.250 -8.026 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.333 13.487 -5.351 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.914 13.437 -5.064 1.00 0.00 C ATOM 1035 C ASP A 66 -3.498 11.989 -5.245 1.00 0.00 C ATOM 1036 O ASP A 66 -3.101 11.541 -6.321 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.673 13.891 -3.608 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.233 15.340 -3.512 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -2.052 15.578 -3.843 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -4.061 16.164 -3.069 1.00 0.00 O ATOM 0 H ASP A 66 -5.822 12.635 -5.076 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.339 14.092 -5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.589 13.755 -3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.914 13.254 -3.154 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.687 11.209 -4.182 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.250 9.827 -4.183 1.00 0.00 C ATOM 1047 C ALA A 67 -4.064 9.072 -5.247 1.00 0.00 C ATOM 1048 O ALA A 67 -3.609 8.061 -5.751 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.505 9.191 -2.827 1.00 0.00 C ATOM 0 H ALA A 67 -4.137 11.513 -3.319 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.182 9.780 -4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.172 8.153 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.955 9.737 -2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.571 9.226 -2.603 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.276 9.526 -5.602 1.00 0.00 N ATOM 1056 CA ARG A 68 -6.044 8.915 -6.686 1.00 0.00 C ATOM 1057 C ARG A 68 -5.203 8.726 -7.951 1.00 0.00 C ATOM 1058 O ARG A 68 -5.326 7.685 -8.598 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.308 9.719 -7.027 1.00 0.00 C ATOM 1060 CG ARG A 68 -8.487 9.393 -6.098 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.824 9.528 -6.845 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.011 8.412 -7.791 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.994 8.305 -8.701 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.880 9.296 -8.851 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.087 7.204 -9.457 1.00 0.00 N ATOM 0 H ARG A 68 -5.741 10.314 -5.151 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.346 7.935 -6.318 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.084 10.784 -6.963 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.596 9.515 -8.058 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.382 8.379 -5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.476 10.064 -5.239 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.646 9.545 -6.129 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.851 10.475 -7.383 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.332 7.652 -7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.810 10.134 -8.274 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.626 9.213 -9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.412 6.448 -9.342 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.833 7.121 -10.148 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.374 9.712 -8.312 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.502 9.589 -9.472 1.00 0.00 C ATOM 1081 C GLU A 69 -2.120 9.067 -9.044 1.00 0.00 C ATOM 1082 O GLU A 69 -1.524 8.233 -9.726 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.526 10.881 -10.301 1.00 0.00 C ATOM 1084 CG GLU A 69 -2.708 12.039 -9.729 1.00 0.00 C ATOM 1085 CD GLU A 69 -1.349 12.126 -10.408 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -1.319 12.668 -11.533 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -0.385 11.603 -9.813 1.00 0.00 O ATOM 0 H GLU A 69 -4.293 10.599 -7.815 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.869 8.831 -10.163 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.158 10.658 -11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.561 11.206 -10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.249 12.975 -9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.576 11.902 -8.656 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.650 9.482 -7.862 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.314 9.148 -7.395 1.00 0.00 C ATOM 1096 C LEU A 70 -0.190 7.652 -7.069 1.00 0.00 C ATOM 1097 O LEU A 70 0.775 6.999 -7.452 1.00 0.00 O ATOM 1098 CB LEU A 70 0.008 10.015 -6.171 1.00 0.00 C ATOM 1099 CG LEU A 70 1.462 10.498 -6.163 1.00 0.00 C ATOM 1100 CD1 LEU A 70 1.621 11.732 -7.060 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.869 10.868 -4.737 1.00 0.00 C ATOM 0 H LEU A 70 -2.187 10.055 -7.211 1.00 0.00 H new ATOM 0 HA LEU A 70 0.407 9.354 -8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.658 10.877 -6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.187 9.444 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 70 2.097 9.696 -6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.660 12.063 -7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.337 11.478 -8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.979 12.533 -6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.903 11.212 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.221 11.663 -4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.774 9.994 -4.093 1.00 0.00 H new ATOM 1113 N SER A 71 -1.167 7.095 -6.354 1.00 0.00 N ATOM 1114 CA SER A 71 -1.231 5.687 -5.978 1.00 0.00 C ATOM 1115 C SER A 71 -0.994 4.815 -7.203 1.00 0.00 C ATOM 1116 O SER A 71 -0.161 3.919 -7.175 1.00 0.00 O ATOM 1117 CB SER A 71 -2.574 5.356 -5.308 1.00 0.00 C ATOM 1118 OG SER A 71 -3.652 5.448 -6.218 1.00 0.00 O ATOM 0 H SER A 71 -1.963 7.632 -6.010 1.00 0.00 H new ATOM 0 HA SER A 71 -0.447 5.481 -5.249 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.534 4.349 -4.892 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.742 6.038 -4.475 1.00 0.00 H new ATOM 0 HG SER A 71 -3.931 6.384 -6.302 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.687 5.112 -8.299 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.501 4.469 -9.584 1.00 0.00 C ATOM 1126 C LYS A 72 -0.014 4.400 -9.957 1.00 0.00 C ATOM 1127 O LYS A 72 0.471 3.341 -10.341 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.346 5.214 -10.626 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.568 4.407 -11.079 1.00 0.00 C ATOM 1130 CD LYS A 72 -3.186 3.352 -12.131 1.00 0.00 C ATOM 1131 CE LYS A 72 -4.332 3.094 -13.122 1.00 0.00 C ATOM 1132 NZ LYS A 72 -4.579 4.259 -14.002 1.00 0.00 N ATOM 0 H LYS A 72 -2.413 5.828 -8.311 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.840 3.434 -9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.677 6.164 -10.208 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.727 5.446 -11.492 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.021 3.916 -10.218 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.318 5.081 -11.493 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.302 3.685 -12.676 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.920 2.420 -11.632 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.094 2.223 -13.732 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.242 2.857 -12.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.111 3.953 -14.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.129 4.974 -13.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.670 4.669 -14.298 1.00 0.00 H new ATOM 1146 N THR A 73 0.727 5.497 -9.798 1.00 0.00 N ATOM 1147 CA THR A 73 2.165 5.527 -10.037 1.00 0.00 C ATOM 1148 C THR A 73 2.947 4.588 -9.098 1.00 0.00 C ATOM 1149 O THR A 73 4.026 4.127 -9.461 1.00 0.00 O ATOM 1150 CB THR A 73 2.637 6.996 -10.013 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.288 7.594 -11.245 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.134 7.163 -9.778 1.00 0.00 C ATOM 0 H THR A 73 0.342 6.393 -9.498 1.00 0.00 H new ATOM 0 HA THR A 73 2.382 5.123 -11.026 1.00 0.00 H new ATOM 0 HB THR A 73 2.143 7.478 -9.169 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.579 8.530 -11.248 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.386 8.224 -9.775 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.403 6.724 -8.817 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.685 6.661 -10.573 1.00 0.00 H new ATOM 1160 N TYR A 74 2.416 4.273 -7.913 1.00 0.00 N ATOM 1161 CA TYR A 74 3.030 3.370 -6.940 1.00 0.00 C ATOM 1162 C TYR A 74 2.445 1.954 -6.989 1.00 0.00 C ATOM 1163 O TYR A 74 2.850 1.083 -6.215 1.00 0.00 O ATOM 1164 CB TYR A 74 2.854 3.961 -5.539 1.00 0.00 C ATOM 1165 CG TYR A 74 3.688 5.202 -5.308 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.090 5.102 -5.317 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.078 6.464 -5.209 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.879 6.264 -5.338 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.871 7.621 -5.148 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.266 7.526 -5.266 1.00 0.00 C ATOM 1171 OH TYR A 74 6.017 8.661 -5.311 1.00 0.00 O ATOM 0 H TYR A 74 1.523 4.650 -7.597 1.00 0.00 H new ATOM 0 HA TYR A 74 4.087 3.278 -7.191 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.803 4.203 -5.383 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.121 3.208 -4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.561 4.130 -5.308 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.001 6.544 -5.180 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.954 6.187 -5.409 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.406 8.586 -5.010 1.00 0.00 H new ATOM 0 HH TYR A 74 6.074 9.052 -4.414 1.00 0.00 H new ATOM 1181 N ILE A 75 1.468 1.720 -7.865 1.00 0.00 N ATOM 1182 CA ILE A 75 0.773 0.450 -7.926 1.00 0.00 C ATOM 1183 C ILE A 75 1.723 -0.597 -8.491 1.00 0.00 C ATOM 1184 O ILE A 75 2.356 -0.363 -9.518 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.537 0.613 -8.717 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.651 -0.269 -8.138 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.416 0.342 -10.226 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -3.013 0.271 -8.576 1.00 0.00 C ATOM 0 H ILE A 75 1.143 2.406 -8.546 1.00 0.00 H new ATOM 0 HA ILE A 75 0.477 0.104 -6.936 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.788 1.668 -8.606 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.529 -1.297 -8.479 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.588 -0.285 -7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.388 0.481 -10.700 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.303 1.034 -10.663 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.078 -0.682 -10.386 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.803 -0.357 -8.164 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.134 1.292 -8.213 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.074 0.264 -9.664 1.00 0.00 H new ATOM 1200 N ILE A 76 1.840 -1.741 -7.816 1.00 0.00 N ATOM 1201 CA ILE A 76 2.636 -2.842 -8.336 1.00 0.00 C ATOM 1202 C ILE A 76 1.720 -3.803 -9.081 1.00 0.00 C ATOM 1203 O ILE A 76 1.989 -4.143 -10.231 1.00 0.00 O ATOM 1204 CB ILE A 76 3.507 -3.499 -7.243 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.859 -3.492 -5.849 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.850 -2.750 -7.218 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.581 -4.365 -4.815 1.00 0.00 C ATOM 0 H ILE A 76 1.396 -1.924 -6.916 1.00 0.00 H new ATOM 0 HA ILE A 76 3.366 -2.468 -9.054 1.00 0.00 H new ATOM 0 HB ILE A 76 3.636 -4.553 -7.490 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.825 -2.466 -5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.827 -3.833 -5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.496 -3.186 -6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.331 -2.833 -8.192 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.676 -1.699 -6.988 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.060 -4.304 -3.860 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.592 -5.400 -5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.605 -4.012 -4.693 1.00 0.00 H new ATOM 1219 N GLY A 77 0.627 -4.225 -8.444 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.303 -5.171 -9.032 1.00 0.00 C ATOM 1221 C GLY A 77 -1.613 -5.125 -8.268 1.00 0.00 C ATOM 1222 O GLY A 77 -2.149 -4.036 -8.049 1.00 0.00 O ATOM 0 H GLY A 77 0.368 -3.917 -7.507 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.472 -4.929 -10.081 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.115 -6.177 -9.000 1.00 0.00 H new ATOM 1226 N GLU A 78 -2.118 -6.279 -7.823 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.348 -6.302 -7.056 1.00 0.00 C ATOM 1228 C GLU A 78 -3.464 -7.527 -6.157 1.00 0.00 C ATOM 1229 O GLU A 78 -2.606 -8.411 -6.160 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.580 -6.050 -7.948 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.844 -7.130 -9.002 1.00 0.00 C ATOM 1232 CD GLU A 78 -6.255 -6.997 -9.570 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.561 -5.888 -10.064 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -7.004 -7.994 -9.489 1.00 0.00 O ATOM 0 H GLU A 78 -1.695 -7.193 -7.982 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.312 -5.463 -6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.460 -5.962 -7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.455 -5.092 -8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.113 -7.046 -9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.717 -8.117 -8.558 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.513 -7.534 -5.334 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.807 -8.645 -4.448 1.00 0.00 C ATOM 1243 C LEU A 79 -5.022 -9.900 -5.296 1.00 0.00 C ATOM 1244 O LEU A 79 -5.668 -9.825 -6.341 1.00 0.00 O ATOM 1245 CB LEU A 79 -6.059 -8.294 -3.629 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.930 -8.555 -2.130 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.769 -10.044 -1.838 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.793 -7.742 -1.498 1.00 0.00 C ATOM 0 H LEU A 79 -5.180 -6.765 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.985 -8.835 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.294 -7.241 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.902 -8.868 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.859 -8.220 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.680 -10.196 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.640 -10.584 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.872 -10.417 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.739 -7.960 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.848 -8.009 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.983 -6.678 -1.642 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.465 -11.044 -4.890 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.554 -12.255 -5.694 1.00 0.00 C ATOM 1262 C HIS A 80 -6.016 -12.588 -6.036 1.00 0.00 C ATOM 1263 O HIS A 80 -6.869 -12.539 -5.150 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.903 -13.422 -4.947 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.253 -14.437 -5.846 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -3.848 -15.537 -6.417 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -1.917 -14.503 -6.145 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -2.897 -16.252 -7.026 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -1.699 -15.659 -6.900 1.00 0.00 N ATOM 0 H HIS A 80 -3.952 -11.152 -4.015 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.022 -12.086 -6.630 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.154 -13.028 -4.260 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.660 -13.920 -4.341 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.164 -13.787 -5.849 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.069 -17.181 -7.549 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.810 -15.986 -7.278 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.325 -12.977 -7.285 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.689 -13.242 -7.719 1.00 0.00 C ATOM 1279 C PRO A 81 -8.247 -14.561 -7.169 1.00 0.00 C ATOM 1280 O PRO A 81 -9.362 -14.951 -7.529 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.643 -13.218 -9.250 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.211 -13.636 -9.572 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.409 -13.071 -8.404 1.00 0.00 C ATOM 0 HA PRO A 81 -8.375 -12.490 -7.329 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.369 -13.906 -9.684 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.869 -12.227 -9.643 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.114 -14.720 -9.640 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.877 -13.226 -10.525 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.566 -13.719 -8.162 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.998 -12.093 -8.653 1.00 0.00 H new