USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=17 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= 0.924 K(o=1.2,f=-3.6!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.243 K(o=1.2,f=-2.1!) USER MOD Set 2.1: A 30 TYR OH : rot -50:sc= 1.09 USER MOD Set 2.2: A 71 SER OG : rot -67:sc= 2.14 USER MOD Set 3.1: A 20 SER OG : rot -69:sc= 0.373 USER MOD Set 3.2: A 33 THR OG1 : rot 94:sc= 1.17 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= -0.0712 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 13 GLN : amide:sc= -0.0779 K(o=-0.078,f=-2.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.212 K(o=-0.21,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -80:sc= 0.622 USER MOD Single : A 26 HIS : no HE2:sc= -0.341 X(o=-0.34,f=-0.61) USER MOD Single : A 27 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.16) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= -0.0601 (180deg=-0.764) USER MOD Single : A 49 GLN : amide:sc= -0.657 X(o=-0.66,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 177:sc= 0.0468 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 64 SER OG : rot 180:sc= 0.134 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -123:sc= 1.09 USER MOD Single : A 80 HIS : no HD1:sc= -0.689 X(o=-0.69,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.721 -7.366 -10.793 1.00 0.00 N ATOM 66 CA LYS A 5 1.463 -8.500 -10.291 1.00 0.00 C ATOM 67 C LYS A 5 0.654 -9.074 -9.131 1.00 0.00 C ATOM 68 O LYS A 5 0.965 -8.856 -7.967 1.00 0.00 O ATOM 69 CB LYS A 5 2.926 -8.144 -9.947 1.00 0.00 C ATOM 70 CG LYS A 5 3.904 -9.169 -10.535 1.00 0.00 C ATOM 71 CD LYS A 5 5.337 -8.909 -10.050 1.00 0.00 C ATOM 72 CE LYS A 5 6.028 -7.752 -10.787 1.00 0.00 C ATOM 73 NZ LYS A 5 7.276 -7.355 -10.104 1.00 0.00 N ATOM 0 HA LYS A 5 1.579 -9.269 -11.055 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.161 -7.152 -10.332 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.047 -8.102 -8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.597 -10.175 -10.248 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.872 -9.124 -11.624 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.318 -8.690 -8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.927 -9.816 -10.179 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.250 -8.051 -11.812 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.353 -6.898 -10.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.722 -6.572 -10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.059 -7.048 -9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.928 -8.165 -10.073 1.00 0.00 H new ATOM 87 N TYR A 6 -0.462 -9.726 -9.463 1.00 0.00 N ATOM 88 CA TYR A 6 -1.357 -10.338 -8.486 1.00 0.00 C ATOM 89 C TYR A 6 -0.571 -11.099 -7.410 1.00 0.00 C ATOM 90 O TYR A 6 0.150 -12.036 -7.748 1.00 0.00 O ATOM 91 CB TYR A 6 -2.342 -11.270 -9.199 1.00 0.00 C ATOM 92 CG TYR A 6 -3.349 -10.550 -10.072 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.522 -10.031 -9.496 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.121 -10.399 -11.452 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.499 -9.430 -10.309 1.00 0.00 C ATOM 96 CE2 TYR A 6 -4.076 -9.752 -12.256 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.273 -9.283 -11.687 1.00 0.00 C ATOM 98 OH TYR A 6 -6.223 -8.704 -12.473 1.00 0.00 O ATOM 0 H TYR A 6 -0.771 -9.844 -10.428 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.915 -9.547 -7.985 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.781 -11.973 -9.814 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.877 -11.856 -8.452 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.673 -10.094 -8.428 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.212 -10.780 -11.894 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.424 -9.081 -9.873 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.890 -9.615 -13.311 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.909 -8.678 -13.401 1.00 0.00 H new ATOM 108 N TYR A 7 -0.695 -10.698 -6.137 1.00 0.00 N ATOM 109 CA TYR A 7 0.031 -11.309 -5.030 1.00 0.00 C ATOM 110 C TYR A 7 -0.941 -11.792 -3.959 1.00 0.00 C ATOM 111 O TYR A 7 -1.974 -11.174 -3.705 1.00 0.00 O ATOM 112 CB TYR A 7 1.047 -10.329 -4.426 1.00 0.00 C ATOM 113 CG TYR A 7 2.324 -10.148 -5.224 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.210 -11.231 -5.377 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.703 -8.872 -5.679 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.462 -11.037 -5.984 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.936 -8.691 -6.327 1.00 0.00 C ATOM 118 CZ TYR A 7 4.843 -9.757 -6.412 1.00 0.00 C ATOM 119 OH TYR A 7 6.132 -9.516 -6.788 1.00 0.00 O ATOM 0 H TYR A 7 -1.308 -9.934 -5.851 1.00 0.00 H new ATOM 0 HA TYR A 7 0.579 -12.167 -5.420 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.567 -9.357 -4.314 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.309 -10.673 -3.425 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.927 -12.213 -5.027 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.044 -8.029 -5.530 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.131 -11.874 -6.121 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.185 -7.733 -6.759 1.00 0.00 H new ATOM 0 HH TYR A 7 6.523 -10.335 -7.158 1.00 0.00 H new ATOM 129 N THR A 8 -0.605 -12.921 -3.339 1.00 0.00 N ATOM 130 CA THR A 8 -1.378 -13.550 -2.289 1.00 0.00 C ATOM 131 C THR A 8 -1.175 -12.813 -0.966 1.00 0.00 C ATOM 132 O THR A 8 -0.098 -12.271 -0.707 1.00 0.00 O ATOM 133 CB THR A 8 -0.894 -15.001 -2.188 1.00 0.00 C ATOM 134 OG1 THR A 8 0.519 -15.005 -2.252 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.411 -15.835 -3.364 1.00 0.00 C ATOM 0 H THR A 8 0.245 -13.436 -3.568 1.00 0.00 H new ATOM 0 HA THR A 8 -2.444 -13.518 -2.513 1.00 0.00 H new ATOM 0 HB THR A 8 -1.261 -15.425 -1.254 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.847 -15.926 -2.187 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.053 -16.860 -3.268 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.501 -15.829 -3.363 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.047 -15.410 -4.299 1.00 0.00 H new ATOM 143 N LEU A 9 -2.206 -12.836 -0.117 1.00 0.00 N ATOM 144 CA LEU A 9 -2.240 -12.145 1.161 1.00 0.00 C ATOM 145 C LEU A 9 -1.002 -12.477 1.985 1.00 0.00 C ATOM 146 O LEU A 9 -0.344 -11.571 2.486 1.00 0.00 O ATOM 147 CB LEU A 9 -3.520 -12.526 1.919 1.00 0.00 C ATOM 148 CG LEU A 9 -4.777 -11.762 1.472 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.740 -10.292 1.898 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.018 -11.851 -0.037 1.00 0.00 C ATOM 0 H LEU A 9 -3.063 -13.354 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.243 -11.069 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.696 -13.594 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.363 -12.350 2.983 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.608 -12.254 1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.648 -9.792 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.674 -10.230 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.872 -9.806 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.918 -11.294 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.165 -11.428 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.143 -12.895 -0.325 1.00 0.00 H new ATOM 162 N GLU A 10 -0.677 -13.768 2.110 1.00 0.00 N ATOM 163 CA GLU A 10 0.480 -14.188 2.885 1.00 0.00 C ATOM 164 C GLU A 10 1.747 -13.505 2.358 1.00 0.00 C ATOM 165 O GLU A 10 2.481 -12.890 3.123 1.00 0.00 O ATOM 166 CB GLU A 10 0.612 -15.718 2.901 1.00 0.00 C ATOM 167 CG GLU A 10 1.292 -16.157 4.207 1.00 0.00 C ATOM 168 CD GLU A 10 1.716 -17.619 4.193 1.00 0.00 C ATOM 169 OE1 GLU A 10 0.992 -18.416 3.557 1.00 0.00 O ATOM 170 OE2 GLU A 10 2.761 -17.903 4.818 1.00 0.00 O ATOM 0 H GLU A 10 -1.201 -14.533 1.684 1.00 0.00 H new ATOM 0 HA GLU A 10 0.340 -13.875 3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.372 -16.180 2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.196 -16.053 2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.168 -15.532 4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.609 -15.990 5.040 1.00 0.00 H new ATOM 177 N GLU A 11 1.987 -13.575 1.045 1.00 0.00 N ATOM 178 CA GLU A 11 3.155 -12.953 0.434 1.00 0.00 C ATOM 179 C GLU A 11 3.208 -11.470 0.802 1.00 0.00 C ATOM 180 O GLU A 11 4.184 -11.001 1.386 1.00 0.00 O ATOM 181 CB GLU A 11 3.160 -13.186 -1.085 1.00 0.00 C ATOM 182 CG GLU A 11 4.466 -12.674 -1.721 1.00 0.00 C ATOM 183 CD GLU A 11 5.020 -13.608 -2.793 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.057 -14.828 -2.523 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.418 -13.085 -3.854 1.00 0.00 O ATOM 0 H GLU A 11 1.380 -14.061 0.385 1.00 0.00 H new ATOM 0 HA GLU A 11 4.061 -13.418 0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.043 -14.250 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.308 -12.677 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.288 -11.693 -2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.215 -12.543 -0.940 1.00 0.00 H new ATOM 192 N ILE A 12 2.129 -10.739 0.524 1.00 0.00 N ATOM 193 CA ILE A 12 2.041 -9.319 0.848 1.00 0.00 C ATOM 194 C ILE A 12 2.352 -9.102 2.340 1.00 0.00 C ATOM 195 O ILE A 12 3.125 -8.217 2.701 1.00 0.00 O ATOM 196 CB ILE A 12 0.653 -8.789 0.451 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.401 -8.973 -1.058 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.488 -7.306 0.818 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.096 -8.977 -1.373 1.00 0.00 C ATOM 0 H ILE A 12 1.296 -11.114 0.070 1.00 0.00 H new ATOM 0 HA ILE A 12 2.782 -8.755 0.282 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.080 -9.370 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.889 -8.171 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.848 -9.909 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.505 -6.966 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.609 -7.182 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.243 -6.716 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.242 -9.108 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.578 -9.795 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.536 -8.030 -1.060 1.00 0.00 H new ATOM 211 N GLN A 13 1.787 -9.938 3.209 1.00 0.00 N ATOM 212 CA GLN A 13 1.982 -9.865 4.650 1.00 0.00 C ATOM 213 C GLN A 13 3.454 -10.035 5.045 1.00 0.00 C ATOM 214 O GLN A 13 3.877 -9.510 6.074 1.00 0.00 O ATOM 215 CB GLN A 13 1.034 -10.861 5.337 1.00 0.00 C ATOM 216 CG GLN A 13 1.021 -10.764 6.869 1.00 0.00 C ATOM 217 CD GLN A 13 1.965 -11.750 7.562 1.00 0.00 C ATOM 218 OE1 GLN A 13 2.898 -12.286 6.972 1.00 0.00 O ATOM 219 NE2 GLN A 13 1.707 -12.025 8.839 1.00 0.00 N ATOM 0 H GLN A 13 1.170 -10.698 2.923 1.00 0.00 H new ATOM 0 HA GLN A 13 1.724 -8.866 5.002 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.022 -10.698 4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.319 -11.873 5.051 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.293 -9.750 7.161 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.006 -10.937 7.225 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.927 -11.569 9.311 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.290 -12.692 9.345 1.00 0.00 H new ATOM 228 N LYS A 14 4.253 -10.729 4.229 1.00 0.00 N ATOM 229 CA LYS A 14 5.669 -10.925 4.512 1.00 0.00 C ATOM 230 C LYS A 14 6.437 -9.629 4.211 1.00 0.00 C ATOM 231 O LYS A 14 7.460 -9.352 4.840 1.00 0.00 O ATOM 232 CB LYS A 14 6.202 -12.158 3.757 1.00 0.00 C ATOM 233 CG LYS A 14 5.465 -13.444 4.179 1.00 0.00 C ATOM 234 CD LYS A 14 5.979 -14.103 5.468 1.00 0.00 C ATOM 235 CE LYS A 14 7.076 -15.146 5.201 1.00 0.00 C ATOM 236 NZ LYS A 14 7.102 -16.183 6.253 1.00 0.00 N ATOM 0 H LYS A 14 3.936 -11.165 3.363 1.00 0.00 H new ATOM 0 HA LYS A 14 5.820 -11.139 5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.085 -12.007 2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.269 -12.270 3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.408 -13.212 4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.537 -14.168 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.369 -13.334 6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.146 -14.581 5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.907 -15.614 4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.046 -14.651 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.853 -16.871 6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.287 -15.738 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.184 -16.671 6.283 1.00 0.00 H new ATOM 250 N HIS A 15 5.924 -8.783 3.308 1.00 0.00 N ATOM 251 CA HIS A 15 6.506 -7.481 2.999 1.00 0.00 C ATOM 252 C HIS A 15 6.121 -6.444 4.065 1.00 0.00 C ATOM 253 O HIS A 15 5.528 -5.407 3.761 1.00 0.00 O ATOM 254 CB HIS A 15 6.075 -7.052 1.592 1.00 0.00 C ATOM 255 CG HIS A 15 6.866 -7.695 0.488 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.816 -7.065 -0.283 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.768 -8.992 0.060 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.286 -7.971 -1.156 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.684 -9.159 -0.983 1.00 0.00 N ATOM 0 H HIS A 15 5.084 -8.991 2.768 1.00 0.00 H new ATOM 0 HA HIS A 15 7.593 -7.554 3.013 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.020 -7.292 1.457 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.168 -5.969 1.509 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.105 -9.747 0.455 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.046 -7.771 -1.897 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.860 -10.015 -1.509 1.00 0.00 H new ATOM 267 N LYS A 16 6.488 -6.720 5.321 1.00 0.00 N ATOM 268 CA LYS A 16 6.246 -5.836 6.450 1.00 0.00 C ATOM 269 C LYS A 16 7.534 -5.616 7.253 1.00 0.00 C ATOM 270 O LYS A 16 7.955 -4.476 7.426 1.00 0.00 O ATOM 271 CB LYS A 16 5.100 -6.400 7.303 1.00 0.00 C ATOM 272 CG LYS A 16 4.611 -5.340 8.305 1.00 0.00 C ATOM 273 CD LYS A 16 4.467 -5.835 9.750 1.00 0.00 C ATOM 274 CE LYS A 16 5.840 -6.297 10.252 1.00 0.00 C ATOM 275 NZ LYS A 16 5.927 -6.531 11.702 1.00 0.00 N ATOM 0 H LYS A 16 6.970 -7.581 5.579 1.00 0.00 H new ATOM 0 HA LYS A 16 5.939 -4.853 6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.277 -6.710 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.438 -7.288 7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.306 -4.500 8.292 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.646 -4.961 7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.081 -5.038 10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.751 -6.656 9.798 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.108 -7.218 9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.582 -5.548 9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.890 -6.839 11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.706 -5.651 12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.247 -7.269 11.976 1.00 0.00 H new ATOM 334 N SER A 20 11.473 -2.989 2.744 1.00 0.00 N ATOM 335 CA SER A 20 10.451 -2.768 1.732 1.00 0.00 C ATOM 336 C SER A 20 9.057 -2.790 2.370 1.00 0.00 C ATOM 337 O SER A 20 8.371 -3.812 2.362 1.00 0.00 O ATOM 338 CB SER A 20 10.608 -3.794 0.600 1.00 0.00 C ATOM 339 OG SER A 20 9.759 -3.503 -0.495 1.00 0.00 O ATOM 0 HA SER A 20 10.575 -1.780 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.644 -3.807 0.263 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.383 -4.791 0.979 1.00 0.00 H new ATOM 0 HG SER A 20 8.826 -3.652 -0.234 1.00 0.00 H new ATOM 345 N THR A 21 8.648 -1.652 2.929 1.00 0.00 N ATOM 346 CA THR A 21 7.308 -1.409 3.415 1.00 0.00 C ATOM 347 C THR A 21 6.330 -1.363 2.230 1.00 0.00 C ATOM 348 O THR A 21 6.233 -0.355 1.528 1.00 0.00 O ATOM 349 CB THR A 21 7.346 -0.104 4.231 1.00 0.00 C ATOM 350 OG1 THR A 21 8.028 -0.334 5.461 1.00 0.00 O ATOM 351 CG2 THR A 21 5.948 0.448 4.506 1.00 0.00 C ATOM 0 H THR A 21 9.268 -0.852 3.056 1.00 0.00 H new ATOM 0 HA THR A 21 6.953 -2.209 4.065 1.00 0.00 H new ATOM 0 HB THR A 21 7.877 0.642 3.640 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.419 -0.763 6.098 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.028 1.369 5.084 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.446 0.655 3.561 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.371 -0.286 5.069 1.00 0.00 H new ATOM 359 N TRP A 22 5.582 -2.453 2.037 1.00 0.00 N ATOM 360 CA TRP A 22 4.445 -2.507 1.124 1.00 0.00 C ATOM 361 C TRP A 22 3.163 -2.148 1.867 1.00 0.00 C ATOM 362 O TRP A 22 3.108 -2.250 3.092 1.00 0.00 O ATOM 363 CB TRP A 22 4.324 -3.910 0.550 1.00 0.00 C ATOM 364 CG TRP A 22 5.310 -4.264 -0.515 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.462 -3.627 -0.821 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.174 -5.325 -1.493 1.00 0.00 C ATOM 367 NE1 TRP A 22 7.023 -4.205 -1.939 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.278 -5.274 -2.389 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.191 -6.301 -1.722 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.411 -6.173 -3.455 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.331 -7.239 -2.761 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.453 -7.189 -3.610 1.00 0.00 C ATOM 0 H TRP A 22 5.755 -3.335 2.520 1.00 0.00 H new ATOM 0 HA TRP A 22 4.600 -1.793 0.316 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.426 -4.626 1.366 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.320 -4.031 0.144 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.878 -2.794 -0.274 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.884 -3.881 -2.380 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.315 -6.332 -1.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.236 -6.087 -4.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.577 -7.998 -2.908 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.578 -7.934 -4.382 1.00 0.00 H new ATOM 383 N VAL A 23 2.121 -1.776 1.119 1.00 0.00 N ATOM 384 CA VAL A 23 0.783 -1.543 1.645 1.00 0.00 C ATOM 385 C VAL A 23 -0.252 -1.936 0.587 1.00 0.00 C ATOM 386 O VAL A 23 0.037 -1.917 -0.612 1.00 0.00 O ATOM 387 CB VAL A 23 0.594 -0.075 2.071 1.00 0.00 C ATOM 388 CG1 VAL A 23 1.149 0.223 3.467 1.00 0.00 C ATOM 389 CG2 VAL A 23 1.224 0.897 1.072 1.00 0.00 C ATOM 0 H VAL A 23 2.190 -1.627 0.112 1.00 0.00 H new ATOM 0 HA VAL A 23 0.645 -2.158 2.534 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.486 0.073 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.985 1.273 3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.640 -0.401 4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.218 0.009 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.067 1.921 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.293 0.700 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.761 0.764 0.094 1.00 0.00 H new ATOM 399 N ILE A 24 -1.459 -2.296 1.042 1.00 0.00 N ATOM 400 CA ILE A 24 -2.582 -2.669 0.204 1.00 0.00 C ATOM 401 C ILE A 24 -3.766 -1.753 0.506 1.00 0.00 C ATOM 402 O ILE A 24 -4.219 -1.668 1.654 1.00 0.00 O ATOM 403 CB ILE A 24 -2.896 -4.161 0.344 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.407 -4.573 1.722 1.00 0.00 C ATOM 405 CG2 ILE A 24 -1.632 -4.965 0.059 1.00 0.00 C ATOM 406 CD1 ILE A 24 -4.915 -4.847 1.710 1.00 0.00 C ATOM 0 H ILE A 24 -1.677 -2.334 2.038 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.332 -2.527 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.695 -4.364 -0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.878 -5.466 2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.186 -3.785 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.848 -6.029 0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.289 -4.756 -0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.855 -4.686 0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.240 -5.137 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.446 -3.946 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.133 -5.653 1.009 1.00 0.00 H new ATOM 418 N LEU A 25 -4.212 -1.023 -0.519 1.00 0.00 N ATOM 419 CA LEU A 25 -5.212 0.024 -0.403 1.00 0.00 C ATOM 420 C LEU A 25 -6.302 -0.305 -1.420 1.00 0.00 C ATOM 421 O LEU A 25 -6.042 -0.284 -2.619 1.00 0.00 O ATOM 422 CB LEU A 25 -4.605 1.415 -0.634 1.00 0.00 C ATOM 423 CG LEU A 25 -3.218 1.606 -0.001 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.665 2.960 -0.416 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.225 1.593 1.524 1.00 0.00 C ATOM 0 H LEU A 25 -3.875 -1.152 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.628 0.058 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.531 1.594 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.283 2.167 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.616 0.767 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.681 3.103 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.581 3.002 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.336 3.748 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.209 1.734 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.860 2.399 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.611 0.637 1.878 1.00 0.00 H new ATOM 437 N HIS A 26 -7.498 -0.673 -0.961 1.00 0.00 N ATOM 438 CA HIS A 26 -8.585 -1.108 -1.838 1.00 0.00 C ATOM 439 C HIS A 26 -8.137 -2.277 -2.721 1.00 0.00 C ATOM 440 O HIS A 26 -8.300 -2.232 -3.942 1.00 0.00 O ATOM 441 CB HIS A 26 -9.094 0.043 -2.720 1.00 0.00 C ATOM 442 CG HIS A 26 -9.661 1.213 -1.972 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.000 1.507 -1.859 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.953 2.294 -1.523 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.097 2.742 -1.345 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.876 3.264 -1.141 1.00 0.00 N ATOM 0 H HIS A 26 -7.741 -0.678 0.030 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.404 -1.437 -1.198 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.272 0.394 -3.343 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.860 -0.345 -3.391 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -11.776 0.898 -2.118 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.877 2.379 -1.474 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.027 3.246 -1.126 1.00 0.00 H new ATOM 454 N HIS A 27 -7.562 -3.321 -2.117 1.00 0.00 N ATOM 455 CA HIS A 27 -7.148 -4.559 -2.780 1.00 0.00 C ATOM 456 C HIS A 27 -5.881 -4.382 -3.631 1.00 0.00 C ATOM 457 O HIS A 27 -5.006 -5.245 -3.632 1.00 0.00 O ATOM 458 CB HIS A 27 -8.294 -5.174 -3.602 1.00 0.00 C ATOM 459 CG HIS A 27 -9.640 -5.123 -2.922 1.00 0.00 C ATOM 460 ND1 HIS A 27 -9.975 -5.715 -1.725 1.00 0.00 N ATOM 461 CD2 HIS A 27 -10.717 -4.384 -3.335 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.233 -5.343 -1.432 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.729 -4.536 -2.384 1.00 0.00 N ATOM 0 H HIS A 27 -7.365 -3.326 -1.116 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.894 -5.261 -1.985 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.362 -4.652 -4.557 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.050 -6.213 -3.823 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.774 -3.790 -4.235 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.773 -5.652 -0.549 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.659 -4.118 -2.408 1.00 0.00 H new ATOM 471 N LYS A 28 -5.778 -3.279 -4.369 1.00 0.00 N ATOM 472 CA LYS A 28 -4.587 -2.906 -5.109 1.00 0.00 C ATOM 473 C LYS A 28 -3.388 -2.787 -4.164 1.00 0.00 C ATOM 474 O LYS A 28 -3.494 -2.199 -3.084 1.00 0.00 O ATOM 475 CB LYS A 28 -4.881 -1.626 -5.892 1.00 0.00 C ATOM 476 CG LYS A 28 -5.819 -1.939 -7.069 1.00 0.00 C ATOM 477 CD LYS A 28 -6.357 -0.629 -7.657 1.00 0.00 C ATOM 478 CE LYS A 28 -6.942 -0.820 -9.067 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.390 -1.107 -9.054 1.00 0.00 N ATOM 0 H LYS A 28 -6.540 -2.609 -4.468 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.317 -3.677 -5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.339 -0.885 -5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.951 -1.193 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.284 -2.501 -7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.645 -2.565 -6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.126 -0.226 -6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.554 0.107 -7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.760 0.079 -9.655 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.419 -1.637 -9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.729 -1.226 -10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.566 -1.980 -8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.896 -0.317 -8.606 1.00 0.00 H new ATOM 493 N VAL A 29 -2.265 -3.391 -4.569 1.00 0.00 N ATOM 494 CA VAL A 29 -1.039 -3.440 -3.796 1.00 0.00 C ATOM 495 C VAL A 29 -0.058 -2.432 -4.370 1.00 0.00 C ATOM 496 O VAL A 29 0.184 -2.401 -5.583 1.00 0.00 O ATOM 497 CB VAL A 29 -0.450 -4.860 -3.760 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.816 -4.878 -2.887 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.504 -5.845 -3.244 1.00 0.00 C ATOM 0 H VAL A 29 -2.192 -3.868 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.253 -3.176 -2.760 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.167 -5.167 -4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.229 -5.887 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.555 -4.193 -3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.563 -4.568 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.082 -6.850 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.811 -5.556 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.370 -5.831 -3.906 1.00 0.00 H new ATOM 509 N TYR A 30 0.491 -1.614 -3.473 1.00 0.00 N ATOM 510 CA TYR A 30 1.354 -0.499 -3.790 1.00 0.00 C ATOM 511 C TYR A 30 2.670 -0.705 -3.039 1.00 0.00 C ATOM 512 O TYR A 30 2.645 -0.896 -1.819 1.00 0.00 O ATOM 513 CB TYR A 30 0.627 0.786 -3.369 1.00 0.00 C ATOM 514 CG TYR A 30 -0.707 0.996 -4.069 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.724 1.526 -5.367 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.922 0.631 -3.461 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.943 1.755 -6.028 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.142 0.916 -4.105 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.151 1.546 -5.357 1.00 0.00 C ATOM 520 OH TYR A 30 -4.298 2.090 -5.855 1.00 0.00 O ATOM 0 H TYR A 30 0.335 -1.722 -2.471 1.00 0.00 H new ATOM 0 HA TYR A 30 1.581 -0.424 -4.853 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.461 0.762 -2.292 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.272 1.641 -3.573 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.207 1.760 -5.863 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.919 0.133 -2.503 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.946 2.092 -7.054 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.075 0.648 -3.632 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.155 3.042 -6.040 1.00 0.00 H new ATOM 530 N ASP A 31 3.806 -0.685 -3.751 1.00 0.00 N ATOM 531 CA ASP A 31 5.108 -0.624 -3.093 1.00 0.00 C ATOM 532 C ASP A 31 5.462 0.844 -3.016 1.00 0.00 C ATOM 533 O ASP A 31 5.576 1.516 -4.041 1.00 0.00 O ATOM 534 CB ASP A 31 6.228 -1.394 -3.803 1.00 0.00 C ATOM 535 CG ASP A 31 7.524 -1.424 -2.977 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.661 -0.642 -2.002 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.352 -2.310 -3.284 1.00 0.00 O ATOM 0 H ASP A 31 3.845 -0.710 -4.770 1.00 0.00 H new ATOM 0 HA ASP A 31 5.026 -1.106 -2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.899 -2.415 -3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.426 -0.934 -4.771 1.00 0.00 H new ATOM 542 N LEU A 32 5.579 1.339 -1.793 1.00 0.00 N ATOM 543 CA LEU A 32 6.002 2.690 -1.551 1.00 0.00 C ATOM 544 C LEU A 32 7.490 2.653 -1.248 1.00 0.00 C ATOM 545 O LEU A 32 8.286 2.892 -2.149 1.00 0.00 O ATOM 546 CB LEU A 32 5.141 3.281 -0.437 1.00 0.00 C ATOM 547 CG LEU A 32 3.659 3.350 -0.849 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.889 3.994 0.292 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.417 4.114 -2.156 1.00 0.00 C ATOM 0 H LEU A 32 5.381 0.806 -0.946 1.00 0.00 H new ATOM 0 HA LEU A 32 5.865 3.344 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.242 2.675 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.499 4.281 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 32 3.314 2.334 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.833 4.057 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.003 3.392 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.278 4.996 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.351 4.121 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.772 5.139 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.957 3.626 -2.968 1.00 0.00 H new ATOM 561 N THR A 33 7.856 2.366 0.007 1.00 0.00 N ATOM 562 CA THR A 33 9.195 2.278 0.564 1.00 0.00 C ATOM 563 C THR A 33 9.997 3.557 0.300 1.00 0.00 C ATOM 564 O THR A 33 10.183 4.406 1.165 1.00 0.00 O ATOM 565 CB THR A 33 9.876 1.008 0.037 1.00 0.00 C ATOM 566 OG1 THR A 33 9.056 -0.120 0.277 1.00 0.00 O ATOM 567 CG2 THR A 33 11.239 0.830 0.721 1.00 0.00 C ATOM 0 H THR A 33 7.150 2.173 0.718 1.00 0.00 H new ATOM 0 HA THR A 33 9.140 2.197 1.650 1.00 0.00 H new ATOM 0 HB THR A 33 10.028 1.104 -1.038 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.506 -0.299 -0.514 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.720 -0.073 0.344 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.869 1.693 0.507 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.097 0.743 1.798 1.00 0.00 H new ATOM 575 N LYS A 34 10.419 3.715 -0.944 1.00 0.00 N ATOM 576 CA LYS A 34 11.146 4.852 -1.480 1.00 0.00 C ATOM 577 C LYS A 34 10.285 6.120 -1.528 1.00 0.00 C ATOM 578 O LYS A 34 10.802 7.188 -1.836 1.00 0.00 O ATOM 579 CB LYS A 34 11.660 4.486 -2.881 1.00 0.00 C ATOM 580 CG LYS A 34 12.288 3.082 -2.886 1.00 0.00 C ATOM 581 CD LYS A 34 13.196 2.787 -4.089 1.00 0.00 C ATOM 582 CE LYS A 34 14.649 3.251 -3.890 1.00 0.00 C ATOM 583 NZ LYS A 34 14.831 4.702 -4.098 1.00 0.00 N ATOM 0 H LYS A 34 10.250 3.002 -1.654 1.00 0.00 H new ATOM 0 HA LYS A 34 11.984 5.076 -0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.838 4.523 -3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.398 5.220 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.867 2.955 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.488 2.342 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.189 1.715 -4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.785 3.275 -4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.971 2.992 -2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.295 2.708 -4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.828 4.899 -4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.232 5.017 -4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.562 5.213 -3.233 1.00 0.00 H new ATOM 597 N PHE A 35 8.987 6.001 -1.229 1.00 0.00 N ATOM 598 CA PHE A 35 8.036 7.100 -1.186 1.00 0.00 C ATOM 599 C PHE A 35 7.718 7.464 0.263 1.00 0.00 C ATOM 600 O PHE A 35 7.057 8.465 0.514 1.00 0.00 O ATOM 601 CB PHE A 35 6.782 6.695 -1.964 1.00 0.00 C ATOM 602 CG PHE A 35 5.593 7.634 -1.862 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.642 8.917 -2.435 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.441 7.235 -1.161 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.511 9.753 -2.392 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.292 8.039 -1.167 1.00 0.00 C ATOM 607 CZ PHE A 35 3.326 9.300 -1.785 1.00 0.00 C ATOM 0 H PHE A 35 8.562 5.102 -1.003 1.00 0.00 H new ATOM 0 HA PHE A 35 8.461 7.989 -1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.050 6.595 -3.016 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.470 5.709 -1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.549 9.261 -2.909 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.441 6.303 -0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.553 10.742 -2.825 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.384 7.690 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.443 9.921 -1.794 1.00 0.00 H new ATOM 617 N LEU A 36 8.192 6.669 1.229 1.00 0.00 N ATOM 618 CA LEU A 36 7.902 6.882 2.636 1.00 0.00 C ATOM 619 C LEU A 36 8.181 8.339 3.044 1.00 0.00 C ATOM 620 O LEU A 36 7.323 8.987 3.635 1.00 0.00 O ATOM 621 CB LEU A 36 8.728 5.892 3.469 1.00 0.00 C ATOM 622 CG LEU A 36 8.190 4.447 3.606 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.132 3.636 4.507 1.00 0.00 C ATOM 624 CD2 LEU A 36 6.756 4.429 4.149 1.00 0.00 C ATOM 0 H LEU A 36 8.788 5.861 1.048 1.00 0.00 H new ATOM 0 HA LEU A 36 6.843 6.703 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.726 5.839 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.838 6.306 4.471 1.00 0.00 H new ATOM 0 HG LEU A 36 8.160 3.990 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.755 2.618 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.128 3.613 4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.183 4.100 5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.411 3.398 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.733 4.899 5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.103 4.977 3.470 1.00 0.00 H new ATOM 636 N GLU A 37 9.365 8.867 2.713 1.00 0.00 N ATOM 637 CA GLU A 37 9.700 10.254 3.025 1.00 0.00 C ATOM 638 C GLU A 37 8.889 11.221 2.151 1.00 0.00 C ATOM 639 O GLU A 37 8.333 12.196 2.648 1.00 0.00 O ATOM 640 CB GLU A 37 11.208 10.487 2.850 1.00 0.00 C ATOM 641 CG GLU A 37 11.672 11.695 3.677 1.00 0.00 C ATOM 642 CD GLU A 37 13.049 12.182 3.244 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.899 11.305 2.977 1.00 0.00 O ATOM 644 OE2 GLU A 37 13.221 13.418 3.182 1.00 0.00 O ATOM 0 H GLU A 37 10.103 8.354 2.231 1.00 0.00 H new ATOM 0 HA GLU A 37 9.440 10.449 4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.756 9.597 3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.435 10.652 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.951 12.505 3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.697 11.425 4.733 1.00 0.00 H new ATOM 651 N GLU A 38 8.846 10.950 0.840 1.00 0.00 N ATOM 652 CA GLU A 38 8.188 11.813 -0.143 1.00 0.00 C ATOM 653 C GLU A 38 6.730 12.081 0.230 1.00 0.00 C ATOM 654 O GLU A 38 6.239 13.190 0.032 1.00 0.00 O ATOM 655 CB GLU A 38 8.231 11.169 -1.536 1.00 0.00 C ATOM 656 CG GLU A 38 9.365 11.664 -2.448 1.00 0.00 C ATOM 657 CD GLU A 38 8.806 12.375 -3.677 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.016 11.719 -4.393 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.162 13.556 -3.870 1.00 0.00 O ATOM 0 H GLU A 38 9.271 10.118 0.431 1.00 0.00 H new ATOM 0 HA GLU A 38 8.729 12.759 -0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.326 10.090 -1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.279 11.353 -2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.013 12.343 -1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.981 10.820 -2.760 1.00 0.00 H new ATOM 666 N HIS A 39 6.034 11.043 0.701 1.00 0.00 N ATOM 667 CA HIS A 39 4.626 11.076 1.051 1.00 0.00 C ATOM 668 C HIS A 39 4.288 12.360 1.814 1.00 0.00 C ATOM 669 O HIS A 39 4.706 12.496 2.965 1.00 0.00 O ATOM 670 CB HIS A 39 4.294 9.835 1.883 1.00 0.00 C ATOM 671 CG HIS A 39 2.869 9.795 2.369 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.481 9.716 3.682 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.736 9.752 1.603 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.145 9.636 3.708 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.639 9.641 2.463 1.00 0.00 N ATOM 0 H HIS A 39 6.458 10.127 0.852 1.00 0.00 H new ATOM 0 HA HIS A 39 4.022 11.070 0.143 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.490 8.945 1.285 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.963 9.795 2.743 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.099 9.718 4.493 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.696 9.796 0.525 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.553 9.576 4.609 1.00 0.00 H new ATOM 683 N PRO A 40 3.540 13.298 1.205 1.00 0.00 N ATOM 684 CA PRO A 40 3.213 14.568 1.828 1.00 0.00 C ATOM 685 C PRO A 40 2.205 14.307 2.946 1.00 0.00 C ATOM 686 O PRO A 40 0.996 14.428 2.764 1.00 0.00 O ATOM 687 CB PRO A 40 2.692 15.468 0.704 1.00 0.00 C ATOM 688 CG PRO A 40 2.179 14.492 -0.348 1.00 0.00 C ATOM 689 CD PRO A 40 2.989 13.215 -0.138 1.00 0.00 C ATOM 0 HA PRO A 40 4.059 15.068 2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.899 16.127 1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.482 16.105 0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.112 14.306 -0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.320 14.887 -1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.359 12.332 -0.246 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.783 13.132 -0.880 1.00 0.00 H new ATOM 697 N GLY A 41 2.737 13.884 4.092 1.00 0.00 N ATOM 698 CA GLY A 41 1.989 13.341 5.210 1.00 0.00 C ATOM 699 C GLY A 41 2.923 12.542 6.121 1.00 0.00 C ATOM 700 O GLY A 41 2.784 12.615 7.338 1.00 0.00 O ATOM 0 H GLY A 41 3.741 13.914 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.521 14.149 5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.186 12.700 4.845 1.00 0.00 H new ATOM 704 N GLY A 42 3.895 11.805 5.551 1.00 0.00 N ATOM 705 CA GLY A 42 4.953 11.182 6.338 1.00 0.00 C ATOM 706 C GLY A 42 5.302 9.745 6.013 1.00 0.00 C ATOM 707 O GLY A 42 4.535 9.044 5.357 1.00 0.00 O ATOM 0 H GLY A 42 3.961 11.632 4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.856 11.783 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.666 11.231 7.388 1.00 0.00 H new ATOM 711 N GLU A 43 6.404 9.281 6.612 1.00 0.00 N ATOM 712 CA GLU A 43 6.757 7.875 6.619 1.00 0.00 C ATOM 713 C GLU A 43 5.884 7.143 7.639 1.00 0.00 C ATOM 714 O GLU A 43 5.225 6.166 7.289 1.00 0.00 O ATOM 715 CB GLU A 43 8.261 7.707 6.933 1.00 0.00 C ATOM 716 CG GLU A 43 8.747 6.241 7.069 1.00 0.00 C ATOM 717 CD GLU A 43 8.898 5.670 8.482 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.629 6.425 9.437 1.00 0.00 O ATOM 719 OE2 GLU A 43 9.301 4.481 8.580 1.00 0.00 O ATOM 0 H GLU A 43 7.070 9.877 7.103 1.00 0.00 H new ATOM 0 HA GLU A 43 6.577 7.440 5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.837 8.192 6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.483 8.234 7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.051 5.605 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.712 6.160 6.569 1.00 0.00 H new ATOM 726 N GLU A 44 5.876 7.611 8.896 1.00 0.00 N ATOM 727 CA GLU A 44 5.329 6.854 10.019 1.00 0.00 C ATOM 728 C GLU A 44 3.904 6.395 9.726 1.00 0.00 C ATOM 729 O GLU A 44 3.631 5.199 9.733 1.00 0.00 O ATOM 730 CB GLU A 44 5.393 7.661 11.323 1.00 0.00 C ATOM 731 CG GLU A 44 5.170 6.734 12.528 1.00 0.00 C ATOM 732 CD GLU A 44 4.924 7.536 13.799 1.00 0.00 C ATOM 733 OE1 GLU A 44 3.813 8.103 13.897 1.00 0.00 O ATOM 734 OE2 GLU A 44 5.856 7.598 14.629 1.00 0.00 O ATOM 0 H GLU A 44 6.249 8.524 9.157 1.00 0.00 H new ATOM 0 HA GLU A 44 5.948 5.966 10.152 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.361 8.154 11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.636 8.445 11.312 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.319 6.081 12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.040 6.092 12.662 1.00 0.00 H new ATOM 741 N VAL A 45 3.010 7.337 9.407 1.00 0.00 N ATOM 742 CA VAL A 45 1.634 7.033 9.057 1.00 0.00 C ATOM 743 C VAL A 45 1.572 5.910 8.022 1.00 0.00 C ATOM 744 O VAL A 45 0.774 4.992 8.147 1.00 0.00 O ATOM 745 CB VAL A 45 0.906 8.303 8.583 1.00 0.00 C ATOM 746 CG1 VAL A 45 0.784 9.319 9.725 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.546 8.977 7.360 1.00 0.00 C ATOM 0 H VAL A 45 3.229 8.333 9.387 1.00 0.00 H new ATOM 0 HA VAL A 45 1.115 6.675 9.946 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.082 7.966 8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.266 10.209 9.367 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.220 8.877 10.547 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.779 9.595 10.075 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.972 9.864 7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.570 9.266 7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.551 8.280 6.522 1.00 0.00 H new ATOM 757 N LEU A 46 2.448 5.945 7.017 1.00 0.00 N ATOM 758 CA LEU A 46 2.486 4.907 6.009 1.00 0.00 C ATOM 759 C LEU A 46 2.982 3.588 6.570 1.00 0.00 C ATOM 760 O LEU A 46 2.467 2.525 6.224 1.00 0.00 O ATOM 761 CB LEU A 46 3.322 5.363 4.808 1.00 0.00 C ATOM 762 CG LEU A 46 2.440 5.853 3.659 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.345 6.489 2.600 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.645 4.682 3.077 1.00 0.00 C ATOM 0 H LEU A 46 3.138 6.685 6.887 1.00 0.00 H new ATOM 0 HA LEU A 46 1.466 4.732 5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.996 6.162 5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.944 4.537 4.463 1.00 0.00 H new ATOM 0 HG LEU A 46 1.723 6.594 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.737 6.847 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.887 7.326 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.056 5.747 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.019 5.038 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.334 3.924 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.015 4.248 3.854 1.00 0.00 H new ATOM 776 N ARG A 47 4.009 3.656 7.409 1.00 0.00 N ATOM 777 CA ARG A 47 4.688 2.482 7.908 1.00 0.00 C ATOM 778 C ARG A 47 4.062 1.925 9.190 1.00 0.00 C ATOM 779 O ARG A 47 4.520 0.899 9.686 1.00 0.00 O ATOM 780 CB ARG A 47 6.181 2.800 8.038 1.00 0.00 C ATOM 781 CG ARG A 47 7.007 1.554 7.711 1.00 0.00 C ATOM 782 CD ARG A 47 7.762 1.023 8.920 1.00 0.00 C ATOM 783 NE ARG A 47 9.070 1.677 8.997 1.00 0.00 N ATOM 784 CZ ARG A 47 10.141 1.242 8.323 1.00 0.00 C ATOM 785 NH1 ARG A 47 10.001 0.390 7.290 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.351 1.653 8.708 1.00 0.00 N ATOM 0 H ARG A 47 4.390 4.535 7.760 1.00 0.00 H new ATOM 0 HA ARG A 47 4.569 1.668 7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.449 3.613 7.363 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.403 3.140 9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.348 0.775 7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.717 1.790 6.918 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.193 1.212 9.831 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.886 -0.057 8.840 1.00 0.00 H new ATOM 0 HE ARG A 47 9.169 2.501 9.591 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.072 0.070 7.015 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.824 0.064 6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.446 2.286 9.502 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.181 1.334 8.208 1.00 0.00 H new ATOM 800 N GLU A 48 3.004 2.566 9.694 1.00 0.00 N ATOM 801 CA GLU A 48 2.273 2.168 10.880 1.00 0.00 C ATOM 802 C GLU A 48 1.802 0.723 10.782 1.00 0.00 C ATOM 803 O GLU A 48 2.049 -0.081 11.679 1.00 0.00 O ATOM 804 CB GLU A 48 1.085 3.127 11.070 1.00 0.00 C ATOM 805 CG GLU A 48 1.344 4.161 12.169 1.00 0.00 C ATOM 806 CD GLU A 48 1.205 3.531 13.551 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.045 3.433 14.005 1.00 0.00 O ATOM 808 OE2 GLU A 48 2.248 3.130 14.108 1.00 0.00 O ATOM 0 H GLU A 48 2.625 3.409 9.263 1.00 0.00 H new ATOM 0 HA GLU A 48 2.931 2.226 11.747 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.882 3.641 10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.193 2.552 11.318 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.345 4.578 12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.641 4.988 12.069 1.00 0.00 H new ATOM 815 N GLN A 49 1.110 0.393 9.690 1.00 0.00 N ATOM 816 CA GLN A 49 0.614 -0.954 9.495 1.00 0.00 C ATOM 817 C GLN A 49 1.656 -1.710 8.688 1.00 0.00 C ATOM 818 O GLN A 49 2.325 -2.606 9.200 1.00 0.00 O ATOM 819 CB GLN A 49 -0.754 -0.913 8.798 1.00 0.00 C ATOM 820 CG GLN A 49 -1.860 -0.426 9.741 1.00 0.00 C ATOM 821 CD GLN A 49 -2.447 0.933 9.369 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.760 1.807 8.844 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.730 1.130 9.642 1.00 0.00 N ATOM 0 H GLN A 49 0.886 1.042 8.936 1.00 0.00 H new ATOM 0 HA GLN A 49 0.460 -1.467 10.445 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.700 -0.255 7.931 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.003 -1.908 8.429 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.662 -1.164 9.754 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.460 -0.372 10.754 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.278 0.389 10.078 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.168 2.023 9.416 1.00 0.00 H new ATOM 832 N ALA A 50 1.774 -1.314 7.417 1.00 0.00 N ATOM 833 CA ALA A 50 2.519 -2.024 6.389 1.00 0.00 C ATOM 834 C ALA A 50 1.996 -3.460 6.194 1.00 0.00 C ATOM 835 O ALA A 50 1.313 -3.994 7.063 1.00 0.00 O ATOM 836 CB ALA A 50 4.010 -1.953 6.715 1.00 0.00 C ATOM 0 H ALA A 50 1.336 -0.460 7.070 1.00 0.00 H new ATOM 0 HA ALA A 50 2.368 -1.541 5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.576 -2.483 5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.327 -0.910 6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.193 -2.415 7.685 1.00 0.00 H new ATOM 842 N GLY A 51 2.287 -4.070 5.038 1.00 0.00 N ATOM 843 CA GLY A 51 1.958 -5.450 4.672 1.00 0.00 C ATOM 844 C GLY A 51 0.777 -6.053 5.442 1.00 0.00 C ATOM 845 O GLY A 51 0.960 -6.952 6.260 1.00 0.00 O ATOM 0 H GLY A 51 2.786 -3.585 4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.735 -5.485 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.837 -6.074 4.835 1.00 0.00 H new ATOM 849 N GLY A 52 -0.436 -5.549 5.195 1.00 0.00 N ATOM 850 CA GLY A 52 -1.624 -5.976 5.922 1.00 0.00 C ATOM 851 C GLY A 52 -2.869 -5.386 5.271 1.00 0.00 C ATOM 852 O GLY A 52 -3.435 -6.003 4.374 1.00 0.00 O ATOM 0 H GLY A 52 -0.616 -4.837 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.686 -7.064 5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.560 -5.655 6.962 1.00 0.00 H new ATOM 856 N ASP A 53 -3.258 -4.179 5.693 1.00 0.00 N ATOM 857 CA ASP A 53 -4.428 -3.454 5.212 1.00 0.00 C ATOM 858 C ASP A 53 -4.369 -2.014 5.717 1.00 0.00 C ATOM 859 O ASP A 53 -4.870 -1.703 6.789 1.00 0.00 O ATOM 860 CB ASP A 53 -5.754 -4.157 5.565 1.00 0.00 C ATOM 861 CG ASP A 53 -6.024 -4.358 7.052 1.00 0.00 C ATOM 862 OD1 ASP A 53 -5.108 -4.858 7.744 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.178 -4.080 7.448 1.00 0.00 O ATOM 0 H ASP A 53 -2.743 -3.664 6.407 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.405 -3.441 4.122 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.574 -3.578 5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.767 -5.132 5.078 1.00 0.00 H new ATOM 868 N ALA A 54 -3.763 -1.113 4.934 1.00 0.00 N ATOM 869 CA ALA A 54 -3.751 0.305 5.281 1.00 0.00 C ATOM 870 C ALA A 54 -4.957 1.022 4.656 1.00 0.00 C ATOM 871 O ALA A 54 -5.128 2.223 4.865 1.00 0.00 O ATOM 872 CB ALA A 54 -2.415 0.939 4.879 1.00 0.00 C ATOM 0 H ALA A 54 -3.280 -1.342 4.065 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.844 0.413 6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.420 1.996 5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.602 0.437 5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.272 0.835 3.803 1.00 0.00 H new ATOM 878 N THR A 55 -5.787 0.296 3.887 1.00 0.00 N ATOM 879 CA THR A 55 -7.012 0.823 3.292 1.00 0.00 C ATOM 880 C THR A 55 -7.818 1.597 4.336 1.00 0.00 C ATOM 881 O THR A 55 -8.207 2.733 4.085 1.00 0.00 O ATOM 882 CB THR A 55 -7.890 -0.289 2.683 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.178 -1.156 1.819 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.007 0.353 1.851 1.00 0.00 C ATOM 0 H THR A 55 -5.617 -0.684 3.663 1.00 0.00 H new ATOM 0 HA THR A 55 -6.713 1.492 2.485 1.00 0.00 H new ATOM 0 HB THR A 55 -8.270 -0.873 3.521 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.775 -1.867 1.504 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.632 -0.428 1.417 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.616 0.992 2.491 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.568 0.952 1.053 1.00 0.00 H new ATOM 892 N GLU A 56 -8.057 0.972 5.495 1.00 0.00 N ATOM 893 CA GLU A 56 -8.774 1.567 6.614 1.00 0.00 C ATOM 894 C GLU A 56 -8.324 3.012 6.859 1.00 0.00 C ATOM 895 O GLU A 56 -9.138 3.930 6.818 1.00 0.00 O ATOM 896 CB GLU A 56 -8.668 0.646 7.846 1.00 0.00 C ATOM 897 CG GLU A 56 -7.269 0.075 8.156 1.00 0.00 C ATOM 898 CD GLU A 56 -6.636 0.670 9.405 1.00 0.00 C ATOM 899 OE1 GLU A 56 -6.714 1.908 9.536 1.00 0.00 O ATOM 900 OE2 GLU A 56 -6.008 -0.099 10.165 1.00 0.00 O ATOM 0 H GLU A 56 -7.748 0.018 5.679 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.835 1.646 6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.011 1.202 8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.355 -0.189 7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.344 -1.006 8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.614 0.257 7.304 1.00 0.00 H new ATOM 907 N ASN A 57 -7.021 3.218 7.029 1.00 0.00 N ATOM 908 CA ASN A 57 -6.438 4.510 7.363 1.00 0.00 C ATOM 909 C ASN A 57 -6.481 5.451 6.156 1.00 0.00 C ATOM 910 O ASN A 57 -6.886 6.609 6.245 1.00 0.00 O ATOM 911 CB ASN A 57 -5.005 4.267 7.847 1.00 0.00 C ATOM 912 CG ASN A 57 -4.477 5.389 8.732 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.792 6.557 8.536 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.644 5.047 9.714 1.00 0.00 N ATOM 0 H ASN A 57 -6.328 2.475 6.936 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.009 4.996 8.154 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.968 3.328 8.400 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.350 4.154 6.983 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.253 5.765 10.324 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.398 4.067 9.856 1.00 0.00 H new ATOM 921 N PHE A 58 -6.088 4.931 4.989 1.00 0.00 N ATOM 922 CA PHE A 58 -6.151 5.659 3.727 1.00 0.00 C ATOM 923 C PHE A 58 -7.546 6.263 3.492 1.00 0.00 C ATOM 924 O PHE A 58 -7.648 7.417 3.062 1.00 0.00 O ATOM 925 CB PHE A 58 -5.717 4.719 2.594 1.00 0.00 C ATOM 926 CG PHE A 58 -5.896 5.253 1.188 1.00 0.00 C ATOM 927 CD1 PHE A 58 -7.104 5.020 0.508 1.00 0.00 C ATOM 928 CD2 PHE A 58 -4.862 5.959 0.543 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.297 5.515 -0.790 1.00 0.00 C ATOM 930 CE2 PHE A 58 -5.034 6.408 -0.778 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.252 6.187 -1.446 1.00 0.00 C ATOM 0 H PHE A 58 -5.715 3.986 4.898 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.466 6.507 3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.665 4.470 2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.279 3.789 2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.889 4.456 0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.936 6.156 1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.248 5.380 -1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.229 6.924 -1.281 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.384 6.533 -2.461 1.00 0.00 H new ATOM 941 N GLU A 59 -8.596 5.481 3.785 1.00 0.00 N ATOM 942 CA GLU A 59 -9.998 5.855 3.619 1.00 0.00 C ATOM 943 C GLU A 59 -10.518 6.682 4.793 1.00 0.00 C ATOM 944 O GLU A 59 -11.376 7.535 4.583 1.00 0.00 O ATOM 945 CB GLU A 59 -10.879 4.605 3.471 1.00 0.00 C ATOM 946 CG GLU A 59 -10.842 3.995 2.067 1.00 0.00 C ATOM 947 CD GLU A 59 -11.595 4.854 1.053 1.00 0.00 C ATOM 948 OE1 GLU A 59 -10.973 5.779 0.484 1.00 0.00 O ATOM 949 OE2 GLU A 59 -12.793 4.554 0.853 1.00 0.00 O ATOM 0 H GLU A 59 -8.482 4.538 4.157 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.051 6.462 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.556 3.855 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.908 4.864 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.806 3.881 1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.279 2.997 2.093 1.00 0.00 H new ATOM 956 N ASP A 60 -10.032 6.432 6.016 1.00 0.00 N ATOM 957 CA ASP A 60 -10.360 7.253 7.179 1.00 0.00 C ATOM 958 C ASP A 60 -10.196 8.731 6.818 1.00 0.00 C ATOM 959 O ASP A 60 -11.087 9.548 7.042 1.00 0.00 O ATOM 960 CB ASP A 60 -9.459 6.877 8.358 1.00 0.00 C ATOM 961 CG ASP A 60 -9.821 7.688 9.592 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.790 7.285 10.269 1.00 0.00 O ATOM 963 OD2 ASP A 60 -9.124 8.697 9.833 1.00 0.00 O ATOM 0 H ASP A 60 -9.403 5.656 6.222 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.394 7.075 7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.559 5.813 8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.416 7.052 8.095 1.00 0.00 H new ATOM 968 N VAL A 61 -9.069 9.035 6.170 1.00 0.00 N ATOM 969 CA VAL A 61 -8.830 10.331 5.555 1.00 0.00 C ATOM 970 C VAL A 61 -9.623 10.472 4.247 1.00 0.00 C ATOM 971 O VAL A 61 -10.282 11.489 4.044 1.00 0.00 O ATOM 972 CB VAL A 61 -7.317 10.526 5.383 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.984 11.770 4.547 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.661 10.653 6.764 1.00 0.00 C ATOM 0 H VAL A 61 -8.295 8.380 6.060 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.193 11.132 6.199 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.930 9.656 4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.902 11.866 4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.427 11.672 3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.386 12.656 5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.586 10.792 6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.082 11.511 7.289 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.848 9.747 7.340 1.00 0.00 H new ATOM 984 N GLY A 62 -9.549 9.488 3.343 1.00 0.00 N ATOM 985 CA GLY A 62 -10.257 9.550 2.068 1.00 0.00 C ATOM 986 C GLY A 62 -9.469 10.438 1.110 1.00 0.00 C ATOM 987 O GLY A 62 -9.847 11.569 0.820 1.00 0.00 O ATOM 0 H GLY A 62 -9.002 8.637 3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.369 8.550 1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.261 9.949 2.213 1.00 0.00 H new ATOM 991 N HIS A 63 -8.327 9.914 0.663 1.00 0.00 N ATOM 992 CA HIS A 63 -7.293 10.653 -0.046 1.00 0.00 C ATOM 993 C HIS A 63 -7.764 11.435 -1.279 1.00 0.00 C ATOM 994 O HIS A 63 -8.698 11.039 -1.978 1.00 0.00 O ATOM 995 CB HIS A 63 -6.208 9.666 -0.470 1.00 0.00 C ATOM 996 CG HIS A 63 -5.171 9.423 0.588 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.361 8.848 1.825 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.847 9.738 0.468 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.157 8.822 2.425 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.195 9.335 1.627 1.00 0.00 N ATOM 0 H HIS A 63 -8.093 8.930 0.791 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.933 11.409 0.651 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.675 8.717 -0.734 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.718 10.041 -1.368 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.242 8.508 2.211 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.386 10.218 -0.382 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.982 8.439 3.420 1.00 0.00 H new ATOM 1008 N SER A 64 -7.035 12.520 -1.569 1.00 0.00 N ATOM 1009 CA SER A 64 -7.249 13.385 -2.718 1.00 0.00 C ATOM 1010 C SER A 64 -7.167 12.653 -4.055 1.00 0.00 C ATOM 1011 O SER A 64 -6.560 11.592 -4.195 1.00 0.00 O ATOM 1012 CB SER A 64 -6.208 14.510 -2.722 1.00 0.00 C ATOM 1013 OG SER A 64 -4.897 13.971 -2.795 1.00 0.00 O ATOM 0 H SER A 64 -6.255 12.823 -0.985 1.00 0.00 H new ATOM 0 HA SER A 64 -8.261 13.777 -2.616 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.383 15.173 -3.569 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.311 15.112 -1.819 1.00 0.00 H new ATOM 0 HG SER A 64 -4.243 14.701 -2.798 1.00 0.00 H new ATOM 1019 N THR A 65 -7.730 13.304 -5.070 1.00 0.00 N ATOM 1020 CA THR A 65 -7.697 12.849 -6.449 1.00 0.00 C ATOM 1021 C THR A 65 -6.255 12.763 -6.966 1.00 0.00 C ATOM 1022 O THR A 65 -5.892 11.794 -7.633 1.00 0.00 O ATOM 1023 CB THR A 65 -8.587 13.781 -7.282 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.830 13.904 -6.615 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.821 13.230 -8.690 1.00 0.00 C ATOM 0 H THR A 65 -8.233 14.183 -4.949 1.00 0.00 H new ATOM 0 HA THR A 65 -8.092 11.836 -6.530 1.00 0.00 H new ATOM 0 HB THR A 65 -8.093 14.747 -7.385 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.419 14.497 -7.127 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.456 13.918 -9.249 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.865 13.121 -9.202 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.310 12.258 -8.624 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.422 13.750 -6.616 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.987 13.725 -6.887 1.00 0.00 C ATOM 1035 C ASP A 66 -3.402 12.406 -6.382 1.00 0.00 C ATOM 1036 O ASP A 66 -2.824 11.616 -7.127 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.306 14.915 -6.185 1.00 0.00 C ATOM 1038 CG ASP A 66 -2.890 15.991 -7.174 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -1.778 15.850 -7.722 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.692 16.933 -7.350 1.00 0.00 O ATOM 0 H ASP A 66 -5.731 14.594 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.813 13.806 -7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.988 15.342 -5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.430 14.563 -5.641 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.588 12.152 -5.087 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.084 10.943 -4.465 1.00 0.00 C ATOM 1047 C ALA A 67 -3.647 9.682 -5.122 1.00 0.00 C ATOM 1048 O ALA A 67 -2.921 8.701 -5.266 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.399 10.964 -2.978 1.00 0.00 C ATOM 0 H ALA A 67 -4.087 12.775 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.003 10.916 -4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.019 10.054 -2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.926 11.832 -2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.478 11.021 -2.835 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.927 9.685 -5.515 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.509 8.561 -6.241 1.00 0.00 C ATOM 1057 C ARG A 68 -4.675 8.213 -7.474 1.00 0.00 C ATOM 1058 O ARG A 68 -4.261 7.060 -7.608 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.972 8.808 -6.631 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.915 8.705 -5.427 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.369 8.972 -5.850 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.114 7.725 -6.098 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.602 6.922 -5.135 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -10.371 7.204 -3.848 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.316 5.839 -5.468 1.00 0.00 N ATOM 0 H ARG A 68 -5.574 10.454 -5.340 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.498 7.710 -5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.065 9.797 -7.080 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.272 8.084 -7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.837 7.713 -4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.616 9.422 -4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.873 9.546 -5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.377 9.584 -6.752 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.271 7.451 -7.068 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.825 8.028 -3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.741 6.595 -3.118 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.489 5.624 -6.450 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.687 5.229 -4.740 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.415 9.164 -8.380 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.602 8.819 -9.543 1.00 0.00 C ATOM 1081 C GLU A 69 -2.183 8.448 -9.111 1.00 0.00 C ATOM 1082 O GLU A 69 -1.612 7.477 -9.609 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.637 9.886 -10.643 1.00 0.00 C ATOM 1084 CG GLU A 69 -3.129 11.270 -10.238 1.00 0.00 C ATOM 1085 CD GLU A 69 -2.877 12.102 -11.486 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -3.884 12.509 -12.105 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -1.687 12.254 -11.834 1.00 0.00 O ATOM 0 H GLU A 69 -4.739 10.130 -8.334 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.047 7.938 -10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.043 9.533 -11.486 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.664 9.985 -10.996 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.860 11.765 -9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.211 11.177 -9.658 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.631 9.175 -8.137 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.289 8.905 -7.650 1.00 0.00 C ATOM 1096 C LEU A 70 -0.169 7.465 -7.137 1.00 0.00 C ATOM 1097 O LEU A 70 0.857 6.823 -7.351 1.00 0.00 O ATOM 1098 CB LEU A 70 0.117 9.943 -6.594 1.00 0.00 C ATOM 1099 CG LEU A 70 1.636 10.172 -6.567 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.093 11.028 -7.759 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.033 10.896 -5.275 1.00 0.00 C ATOM 0 H LEU A 70 -2.098 9.954 -7.674 1.00 0.00 H new ATOM 0 HA LEU A 70 0.412 8.998 -8.479 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.388 10.887 -6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.217 9.610 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 70 2.116 9.195 -6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.172 11.172 -7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.835 10.523 -8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.596 11.997 -7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.111 11.055 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.524 11.859 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.746 10.290 -4.416 1.00 0.00 H new ATOM 1113 N SER A 71 -1.219 6.922 -6.507 1.00 0.00 N ATOM 1114 CA SER A 71 -1.231 5.520 -6.114 1.00 0.00 C ATOM 1115 C SER A 71 -0.934 4.641 -7.327 1.00 0.00 C ATOM 1116 O SER A 71 -0.083 3.763 -7.254 1.00 0.00 O ATOM 1117 CB SER A 71 -2.535 5.117 -5.399 1.00 0.00 C ATOM 1118 OG SER A 71 -3.587 4.759 -6.277 1.00 0.00 O ATOM 0 H SER A 71 -2.065 7.436 -6.262 1.00 0.00 H new ATOM 0 HA SER A 71 -0.442 5.366 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.329 4.278 -4.735 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.865 5.946 -4.772 1.00 0.00 H new ATOM 0 HG SER A 71 -3.873 5.548 -6.783 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.595 4.895 -8.459 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.408 4.113 -9.673 1.00 0.00 C ATOM 1126 C LYS A 72 0.076 4.068 -10.055 1.00 0.00 C ATOM 1127 O LYS A 72 0.605 2.999 -10.341 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.308 4.649 -10.803 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.310 3.604 -11.315 1.00 0.00 C ATOM 1130 CD LYS A 72 -2.611 2.524 -12.153 1.00 0.00 C ATOM 1131 CE LYS A 72 -3.579 1.436 -12.643 1.00 0.00 C ATOM 1132 NZ LYS A 72 -4.531 1.938 -13.657 1.00 0.00 N ATOM 0 H LYS A 72 -2.274 5.650 -8.555 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.716 3.083 -9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.853 5.522 -10.444 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.683 4.982 -11.631 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.818 3.139 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.075 4.095 -11.916 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.130 2.991 -13.013 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.822 2.062 -11.559 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.007 0.609 -13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.134 1.039 -11.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.161 1.166 -13.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.097 2.709 -13.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.005 2.292 -14.481 1.00 0.00 H new ATOM 1146 N THR A 73 0.768 5.206 -9.996 1.00 0.00 N ATOM 1147 CA THR A 73 2.207 5.288 -10.221 1.00 0.00 C ATOM 1148 C THR A 73 3.027 4.381 -9.284 1.00 0.00 C ATOM 1149 O THR A 73 4.134 3.988 -9.646 1.00 0.00 O ATOM 1150 CB THR A 73 2.617 6.771 -10.162 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.308 7.377 -11.400 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.087 7.016 -9.832 1.00 0.00 C ATOM 0 H THR A 73 0.337 6.107 -9.788 1.00 0.00 H new ATOM 0 HA THR A 73 2.439 4.895 -11.211 1.00 0.00 H new ATOM 0 HB THR A 73 2.054 7.211 -9.339 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.563 8.323 -11.374 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.282 8.088 -9.813 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.317 6.588 -8.856 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.713 6.547 -10.591 1.00 0.00 H new ATOM 1160 N TYR A 74 2.508 4.031 -8.104 1.00 0.00 N ATOM 1161 CA TYR A 74 3.180 3.165 -7.139 1.00 0.00 C ATOM 1162 C TYR A 74 2.623 1.741 -7.164 1.00 0.00 C ATOM 1163 O TYR A 74 3.021 0.901 -6.353 1.00 0.00 O ATOM 1164 CB TYR A 74 3.028 3.758 -5.737 1.00 0.00 C ATOM 1165 CG TYR A 74 3.888 4.979 -5.487 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.288 4.842 -5.482 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.310 6.250 -5.304 1.00 0.00 C ATOM 1168 CE1 TYR A 74 6.103 5.983 -5.440 1.00 0.00 C ATOM 1169 CE2 TYR A 74 4.131 7.386 -5.202 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.525 7.257 -5.329 1.00 0.00 C ATOM 1171 OH TYR A 74 6.333 8.351 -5.345 1.00 0.00 O ATOM 0 H TYR A 74 1.591 4.349 -7.789 1.00 0.00 H new ATOM 0 HA TYR A 74 4.234 3.109 -7.412 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.983 4.024 -5.578 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.278 2.994 -5.001 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.735 3.859 -5.510 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.237 6.352 -5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.177 5.881 -5.493 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.692 8.357 -5.026 1.00 0.00 H new ATOM 0 HH TYR A 74 6.195 8.872 -4.526 1.00 0.00 H new ATOM 1181 N ILE A 75 1.670 1.462 -8.055 1.00 0.00 N ATOM 1182 CA ILE A 75 1.033 0.161 -8.096 1.00 0.00 C ATOM 1183 C ILE A 75 2.058 -0.886 -8.504 1.00 0.00 C ATOM 1184 O ILE A 75 2.907 -0.631 -9.358 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.203 0.196 -9.008 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.237 -0.843 -8.536 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.164 -0.065 -10.481 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.635 -0.548 -9.083 1.00 0.00 C ATOM 0 H ILE A 75 1.329 2.123 -8.753 1.00 0.00 H new ATOM 0 HA ILE A 75 0.666 -0.114 -7.107 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.631 1.196 -8.943 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.925 -1.837 -8.856 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.269 -0.854 -7.447 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.738 -0.032 -11.092 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.862 0.699 -10.823 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.628 -1.047 -10.572 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.333 -1.305 -8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.960 0.435 -8.741 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.610 -0.563 -10.173 1.00 0.00 H new ATOM 1200 N ILE A 76 1.973 -2.061 -7.889 1.00 0.00 N ATOM 1201 CA ILE A 76 2.823 -3.186 -8.247 1.00 0.00 C ATOM 1202 C ILE A 76 1.996 -4.449 -8.434 1.00 0.00 C ATOM 1203 O ILE A 76 2.225 -5.171 -9.397 1.00 0.00 O ATOM 1204 CB ILE A 76 3.979 -3.366 -7.250 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.527 -3.507 -5.786 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.969 -2.198 -7.367 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.618 -4.945 -5.285 1.00 0.00 C ATOM 0 H ILE A 76 1.317 -2.258 -7.133 1.00 0.00 H new ATOM 0 HA ILE A 76 3.291 -2.969 -9.207 1.00 0.00 H new ATOM 0 HB ILE A 76 4.459 -4.306 -7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.143 -2.866 -5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.499 -3.156 -5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.783 -2.338 -6.655 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.373 -2.164 -8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.455 -1.262 -7.150 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.288 -4.990 -4.247 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.981 -5.584 -5.897 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.650 -5.289 -5.353 1.00 0.00 H new ATOM 1219 N GLY A 77 1.037 -4.721 -7.547 1.00 0.00 N ATOM 1220 CA GLY A 77 0.255 -5.944 -7.587 1.00 0.00 C ATOM 1221 C GLY A 77 -1.202 -5.648 -7.258 1.00 0.00 C ATOM 1222 O GLY A 77 -1.590 -4.491 -7.091 1.00 0.00 O ATOM 0 H GLY A 77 0.785 -4.095 -6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.327 -6.398 -8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.657 -6.665 -6.875 1.00 0.00 H new ATOM 1226 N GLU A 78 -2.002 -6.704 -7.119 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.355 -6.638 -6.597 1.00 0.00 C ATOM 1228 C GLU A 78 -3.534 -7.866 -5.704 1.00 0.00 C ATOM 1229 O GLU A 78 -2.876 -8.882 -5.937 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.371 -6.574 -7.756 1.00 0.00 C ATOM 1231 CG GLU A 78 -5.719 -6.004 -7.290 1.00 0.00 C ATOM 1232 CD GLU A 78 -6.767 -5.901 -8.391 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -7.394 -6.942 -8.676 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -6.955 -4.765 -8.889 1.00 0.00 O ATOM 0 H GLU A 78 -1.715 -7.649 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.529 -5.737 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.971 -5.955 -8.559 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.519 -7.573 -8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.109 -6.633 -6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.555 -5.013 -6.866 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.364 -7.767 -4.665 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.741 -8.912 -3.846 1.00 0.00 C ATOM 1243 C LEU A 79 -5.232 -10.035 -4.763 1.00 0.00 C ATOM 1244 O LEU A 79 -6.141 -9.820 -5.564 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.837 -8.516 -2.840 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.307 -8.360 -1.408 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -4.323 -7.204 -1.249 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -6.481 -8.166 -0.445 1.00 0.00 C ATOM 0 H LEU A 79 -4.792 -6.889 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.876 -9.257 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.292 -7.578 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.623 -9.271 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.761 -9.274 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.988 -7.151 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.464 -7.365 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.813 -6.269 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.103 -8.055 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.037 -7.271 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.140 -9.033 -0.495 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.612 -11.213 -4.659 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.927 -12.373 -5.481 1.00 0.00 C ATOM 1262 C HIS A 80 -6.448 -12.591 -5.583 1.00 0.00 C ATOM 1263 O HIS A 80 -7.151 -12.512 -4.570 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.206 -13.592 -4.892 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.986 -14.716 -5.865 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.604 -15.945 -5.850 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -3.102 -14.705 -6.911 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -4.126 -16.646 -6.892 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -3.214 -15.930 -7.571 1.00 0.00 N ATOM 0 H HIS A 80 -3.864 -11.385 -3.987 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.579 -12.211 -6.501 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.240 -13.273 -4.501 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.784 -13.967 -4.047 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.439 -13.895 -7.177 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.433 -17.649 -7.149 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.704 -16.224 -8.404 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.978 -12.849 -6.794 1.00 0.00 N ATOM 1278 CA PRO A 81 -8.412 -12.860 -7.033 1.00 0.00 C ATOM 1279 C PRO A 81 -9.127 -13.903 -6.174 1.00 0.00 C ATOM 1280 O PRO A 81 -10.271 -13.694 -5.772 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.608 -13.067 -8.538 1.00 0.00 C ATOM 1282 CG PRO A 81 -7.273 -13.624 -9.029 1.00 0.00 C ATOM 1283 CD PRO A 81 -6.251 -13.091 -8.028 1.00 0.00 C ATOM 0 HA PRO A 81 -8.867 -11.916 -6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.425 -13.760 -8.739 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.854 -12.130 -9.038 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.280 -14.714 -9.049 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.050 -13.288 -10.042 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.448 -13.811 -7.871 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.790 -12.174 -8.394 1.00 0.00 H new