USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 590 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 49 GLN : amide:sc= -0.136 K(o=-0.035,f=-0.88) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.101 K(o=-0.035,f=-0.88) USER MOD Set 2.1: A 35 TYR OH : rot 180:sc= -0.0295 USER MOD Set 2.2: A 39 HIS : no HE2:sc= -8.9! C(o=-8.9!,f=-17!) USER MOD Set 3.1: A 26 HIS : no HE2:sc= -4.95! C(o=-3.9!,f=-9.1!) USER MOD Set 3.2: A 30 TYR OH : rot 123:sc= 1.03 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 100:sc= -1.27 USER MOD Single : A 8 THR OG1 : rot 49:sc= 0.36 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -5.3 K(o=-5.3,f=-8.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 54:sc= 1.2 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 109:sc= 1.66 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 108:sc= 0.849 USER MOD Single : A 63 HIS : no HE2:sc= -4.18! C(o=-4.2!,f=-8.7!) 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 73:sc= 0.127 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 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0945 X(o=-0.095,f=-0.0072) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 5 2.683 2.993 -8.636 1.00 0.00 N ATOM 18 CA LYS A 5 1.821 4.145 -8.839 1.00 0.00 C ATOM 19 C LYS A 5 2.016 4.677 -10.260 1.00 0.00 C ATOM 20 O LYS A 5 3.123 5.061 -10.637 1.00 0.00 O ATOM 21 CB LYS A 5 2.061 5.193 -7.752 1.00 0.00 C ATOM 22 CG LYS A 5 0.899 5.227 -6.756 1.00 0.00 C ATOM 23 CD LYS A 5 -0.139 6.275 -7.162 1.00 0.00 C ATOM 24 CE LYS A 5 -0.858 5.864 -8.448 1.00 0.00 C ATOM 25 NZ LYS A 5 -2.207 6.472 -8.505 1.00 0.00 N ATOM 0 HA LYS A 5 0.774 3.858 -8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.989 4.970 -7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.182 6.175 -8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.429 4.245 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.277 5.451 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.866 6.402 -6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.349 7.239 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.275 6.177 -9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.940 4.778 -8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.681 6.183 -9.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.767 6.153 -7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.122 7.508 -8.482 1.00 0.00 H new ATOM 39 N TYR A 6 0.924 4.685 -11.010 1.00 0.00 N ATOM 40 CA TYR A 6 0.960 5.165 -12.381 1.00 0.00 C ATOM 41 C TYR A 6 0.446 6.603 -12.473 1.00 0.00 C ATOM 42 O TYR A 6 -0.749 6.850 -12.313 1.00 0.00 O ATOM 43 CB TYR A 6 0.024 4.249 -13.174 1.00 0.00 C ATOM 44 CG TYR A 6 0.441 2.777 -13.166 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.730 2.424 -13.507 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.473 1.803 -12.819 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.123 1.038 -13.500 1.00 0.00 C ATOM 48 CE2 TYR A 6 -0.082 0.418 -12.812 1.00 0.00 C ATOM 49 CZ TYR A 6 1.197 0.103 -13.153 1.00 0.00 C ATOM 50 OH TYR A 6 1.567 -1.205 -13.146 1.00 0.00 O ATOM 0 H TYR A 6 0.008 4.366 -10.694 1.00 0.00 H new ATOM 0 HA TYR A 6 1.980 5.153 -12.765 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.983 4.333 -12.765 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.021 4.598 -14.206 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.445 3.187 -13.779 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.482 2.080 -12.553 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.129 0.748 -13.764 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.788 -0.354 -12.542 1.00 0.00 H new ATOM 0 HH TYR A 6 0.805 -1.759 -12.878 1.00 0.00 H new ATOM 60 N TYR A 7 1.374 7.514 -12.731 1.00 0.00 N ATOM 61 CA TYR A 7 1.029 8.921 -12.846 1.00 0.00 C ATOM 62 C TYR A 7 0.778 9.307 -14.305 1.00 0.00 C ATOM 63 O TYR A 7 1.345 8.705 -15.216 1.00 0.00 O ATOM 64 CB TYR A 7 2.242 9.696 -12.327 1.00 0.00 C ATOM 65 CG TYR A 7 2.755 9.211 -10.970 1.00 0.00 C ATOM 66 CD1 TYR A 7 1.897 9.140 -9.891 1.00 0.00 C ATOM 67 CD2 TYR A 7 4.078 8.845 -10.823 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.381 8.684 -8.614 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.562 8.390 -9.547 1.00 0.00 C ATOM 70 CZ TYR A 7 3.689 8.331 -8.505 1.00 0.00 C ATOM 71 OH TYR A 7 4.148 7.900 -7.299 1.00 0.00 O ATOM 0 H TYR A 7 2.364 7.305 -12.863 1.00 0.00 H new ATOM 0 HA TYR A 7 0.121 9.141 -12.285 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.048 9.621 -13.057 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.980 10.751 -12.249 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.862 9.427 -10.005 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.750 8.900 -11.667 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.720 8.624 -7.762 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.595 8.102 -9.419 1.00 0.00 H new ATOM 0 HH TYR A 7 4.192 6.921 -7.296 1.00 0.00 H new ATOM 81 N THR A 8 -0.072 10.307 -14.481 1.00 0.00 N ATOM 82 CA THR A 8 -0.406 10.779 -15.815 1.00 0.00 C ATOM 83 C THR A 8 0.687 11.714 -16.336 1.00 0.00 C ATOM 84 O THR A 8 1.296 12.455 -15.567 1.00 0.00 O ATOM 85 CB THR A 8 -1.787 11.435 -15.752 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.800 12.099 -14.492 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.917 10.409 -15.644 1.00 0.00 C ATOM 0 H THR A 8 -0.540 10.804 -13.723 1.00 0.00 H new ATOM 0 HA THR A 8 -0.454 9.955 -16.527 1.00 0.00 H new ATOM 0 HB THR A 8 -1.937 12.050 -16.640 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.981 12.629 -14.393 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.875 10.926 -15.602 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.896 9.752 -16.514 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.785 9.816 -14.739 1.00 0.00 H new ATOM 95 N LEU A 9 0.904 11.648 -17.643 1.00 0.00 N ATOM 96 CA LEU A 9 1.912 12.479 -18.277 1.00 0.00 C ATOM 97 C LEU A 9 1.683 13.940 -17.886 1.00 0.00 C ATOM 98 O LEU A 9 2.596 14.760 -17.973 1.00 0.00 O ATOM 99 CB LEU A 9 1.928 12.241 -19.789 1.00 0.00 C ATOM 100 CG LEU A 9 1.041 13.168 -20.623 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.350 13.027 -22.114 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.440 12.929 -20.319 1.00 0.00 C ATOM 0 H LEU A 9 0.398 11.031 -18.279 1.00 0.00 H new ATOM 0 HA LEU A 9 2.907 12.208 -17.924 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.955 12.339 -20.141 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.623 11.212 -19.978 1.00 0.00 H new ATOM 0 HG LEU A 9 1.265 14.198 -20.344 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.706 13.697 -22.684 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.393 13.286 -22.295 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.171 11.998 -22.427 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.049 13.600 -20.925 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.697 11.896 -20.553 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.630 13.120 -19.263 1.00 0.00 H new ATOM 114 N GLU A 10 0.458 14.222 -17.465 1.00 0.00 N ATOM 115 CA GLU A 10 0.098 15.569 -17.061 1.00 0.00 C ATOM 116 C GLU A 10 0.896 15.984 -15.824 1.00 0.00 C ATOM 117 O GLU A 10 1.244 17.154 -15.668 1.00 0.00 O ATOM 118 CB GLU A 10 -1.407 15.681 -16.806 1.00 0.00 C ATOM 119 CG GLU A 10 -2.037 16.747 -17.703 1.00 0.00 C ATOM 120 CD GLU A 10 -1.998 16.319 -19.173 1.00 0.00 C ATOM 121 OE1 GLU A 10 -0.931 16.518 -19.793 1.00 0.00 O ATOM 122 OE2 GLU A 10 -3.036 15.804 -19.642 1.00 0.00 O ATOM 0 H GLU A 10 -0.297 13.540 -17.395 1.00 0.00 H new ATOM 0 HA GLU A 10 0.347 16.250 -17.875 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.883 14.718 -16.990 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.585 15.930 -15.760 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.069 16.921 -17.398 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.506 17.691 -17.581 1.00 0.00 H new ATOM 129 N GLU A 11 1.163 15.003 -14.974 1.00 0.00 N ATOM 130 CA GLU A 11 1.914 15.251 -13.755 1.00 0.00 C ATOM 131 C GLU A 11 3.301 15.802 -14.089 1.00 0.00 C ATOM 132 O GLU A 11 3.542 17.003 -13.965 1.00 0.00 O ATOM 133 CB GLU A 11 2.018 13.982 -12.907 1.00 0.00 C ATOM 134 CG GLU A 11 1.346 14.174 -11.547 1.00 0.00 C ATOM 135 CD GLU A 11 0.023 13.409 -11.476 1.00 0.00 C ATOM 136 OE1 GLU A 11 -0.714 13.453 -12.485 1.00 0.00 O ATOM 137 OE2 GLU A 11 -0.223 12.797 -10.414 1.00 0.00 O ATOM 0 H GLU A 11 0.872 14.034 -15.106 1.00 0.00 H new ATOM 0 HA GLU A 11 1.379 15.998 -13.168 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.551 13.150 -13.433 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.067 13.721 -12.765 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.012 13.829 -10.756 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.167 15.235 -11.373 1.00 0.00 H new ATOM 144 N ILE A 12 4.177 14.901 -14.507 1.00 0.00 N ATOM 145 CA ILE A 12 5.534 15.282 -14.861 1.00 0.00 C ATOM 146 C ILE A 12 5.524 16.691 -15.456 1.00 0.00 C ATOM 147 O ILE A 12 6.389 17.507 -15.143 1.00 0.00 O ATOM 148 CB ILE A 12 6.165 14.231 -15.776 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.090 13.424 -16.506 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.127 13.332 -14.997 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.816 12.101 -15.789 1.00 0.00 C ATOM 0 H ILE A 12 3.973 13.907 -14.609 1.00 0.00 H new ATOM 0 HA ILE A 12 6.165 15.315 -13.973 1.00 0.00 H new ATOM 0 HB ILE A 12 6.752 14.747 -16.536 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.171 14.007 -16.566 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.410 13.228 -17.529 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.562 12.594 -15.671 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.921 13.939 -14.563 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.584 12.822 -14.201 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.048 11.547 -16.329 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.731 11.510 -15.753 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.473 12.301 -14.774 1.00 0.00 H new ATOM 163 N GLN A 13 4.535 16.933 -16.304 1.00 0.00 N ATOM 164 CA GLN A 13 4.401 18.230 -16.947 1.00 0.00 C ATOM 165 C GLN A 13 4.309 19.337 -15.895 1.00 0.00 C ATOM 166 O GLN A 13 5.146 20.237 -15.860 1.00 0.00 O ATOM 167 CB GLN A 13 3.189 18.257 -17.879 1.00 0.00 C ATOM 168 CG GLN A 13 3.568 17.788 -19.285 1.00 0.00 C ATOM 169 CD GLN A 13 4.031 18.965 -20.149 1.00 0.00 C ATOM 170 OE1 GLN A 13 5.209 19.163 -20.392 1.00 0.00 O ATOM 171 NE2 GLN A 13 3.039 19.730 -20.597 1.00 0.00 N ATOM 0 H GLN A 13 3.819 16.253 -16.561 1.00 0.00 H new ATOM 0 HA GLN A 13 5.289 18.406 -17.554 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.403 17.617 -17.478 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.784 19.268 -17.926 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.362 17.044 -19.222 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.712 17.303 -19.754 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.074 19.507 -20.355 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.244 20.540 -21.182 1.00 0.00 H new ATOM 180 N LYS A 14 3.283 19.234 -15.062 1.00 0.00 N ATOM 181 CA LYS A 14 3.071 20.215 -14.012 1.00 0.00 C ATOM 182 C LYS A 14 4.211 20.124 -12.997 1.00 0.00 C ATOM 183 O LYS A 14 4.348 20.989 -12.132 1.00 0.00 O ATOM 184 CB LYS A 14 1.681 20.045 -13.393 1.00 0.00 C ATOM 185 CG LYS A 14 1.496 18.629 -12.845 1.00 0.00 C ATOM 186 CD LYS A 14 0.126 18.473 -12.181 1.00 0.00 C ATOM 187 CE LYS A 14 -0.974 18.293 -13.229 1.00 0.00 C ATOM 188 NZ LYS A 14 -1.826 19.500 -13.299 1.00 0.00 N ATOM 0 H LYS A 14 2.590 18.486 -15.093 1.00 0.00 H new ATOM 0 HA LYS A 14 3.091 21.224 -14.424 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.545 20.770 -12.591 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.917 20.252 -14.143 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.596 17.906 -13.654 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.282 18.409 -12.122 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.139 17.614 -11.511 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.088 19.350 -11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.527 18.099 -14.204 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.584 17.424 -12.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.567 19.361 -14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.267 19.668 -12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.244 20.321 -13.559 1.00 0.00 H new ATOM 202 N HIS A 15 5.002 19.070 -13.135 1.00 0.00 N ATOM 203 CA HIS A 15 6.127 18.855 -12.241 1.00 0.00 C ATOM 204 C HIS A 15 7.430 19.212 -12.960 1.00 0.00 C ATOM 205 O HIS A 15 8.391 18.446 -12.926 1.00 0.00 O ATOM 206 CB HIS A 15 6.123 17.426 -11.695 1.00 0.00 C ATOM 207 CG HIS A 15 4.853 17.049 -10.971 1.00 0.00 C ATOM 208 ND1 HIS A 15 4.342 17.789 -9.918 1.00 0.00 N ATOM 209 CD2 HIS A 15 3.996 16.005 -11.159 1.00 0.00 C ATOM 210 CE1 HIS A 15 3.228 17.206 -9.499 1.00 0.00 C ATOM 211 NE2 HIS A 15 3.015 16.101 -10.269 1.00 0.00 N ATOM 0 H HIS A 15 4.886 18.355 -13.853 1.00 0.00 H new ATOM 0 HA HIS A 15 6.038 19.512 -11.376 1.00 0.00 H new ATOM 0 HB2 HIS A 15 6.278 16.732 -12.521 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.966 17.305 -11.015 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.753 18.638 -9.531 1.00 0.00 H new ATOM 0 HD2 HIS A 15 4.098 15.231 -11.905 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.599 17.546 -8.690 1.00 0.00 H new ATOM 219 N LYS A 16 7.419 20.375 -13.594 1.00 0.00 N ATOM 220 CA LYS A 16 8.588 20.842 -14.320 1.00 0.00 C ATOM 221 C LYS A 16 9.201 22.033 -13.580 1.00 0.00 C ATOM 222 O LYS A 16 9.995 22.780 -14.149 1.00 0.00 O ATOM 223 CB LYS A 16 8.229 21.143 -15.777 1.00 0.00 C ATOM 224 CG LYS A 16 9.158 20.397 -16.736 1.00 0.00 C ATOM 225 CD LYS A 16 9.354 21.185 -18.033 1.00 0.00 C ATOM 226 CE LYS A 16 8.184 20.961 -18.992 1.00 0.00 C ATOM 227 NZ LYS A 16 7.308 22.154 -19.029 1.00 0.00 N ATOM 0 H LYS A 16 6.619 21.008 -13.620 1.00 0.00 H new ATOM 0 HA LYS A 16 9.349 20.063 -14.357 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.195 20.854 -15.968 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.299 22.216 -15.958 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.123 20.231 -16.258 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.741 19.415 -16.962 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.445 22.247 -17.807 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.285 20.880 -18.511 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.562 20.749 -19.992 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.609 20.090 -18.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.519 21.985 -19.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.933 22.339 -18.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.856 22.977 -19.351 1.00 0.00 H new ATOM 241 N ASP A 17 8.809 22.171 -12.322 1.00 0.00 N ATOM 242 CA ASP A 17 9.310 23.258 -11.497 1.00 0.00 C ATOM 243 C ASP A 17 10.146 22.680 -10.353 1.00 0.00 C ATOM 244 O ASP A 17 10.137 21.473 -10.121 1.00 0.00 O ATOM 245 CB ASP A 17 8.161 24.061 -10.885 1.00 0.00 C ATOM 246 CG ASP A 17 8.117 25.537 -11.288 1.00 0.00 C ATOM 247 OD1 ASP A 17 9.210 26.139 -11.358 1.00 0.00 O ATOM 248 OD2 ASP A 17 6.990 26.030 -11.515 1.00 0.00 O ATOM 0 H ASP A 17 8.150 21.549 -11.854 1.00 0.00 H new ATOM 0 HA ASP A 17 9.909 23.913 -12.130 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.219 23.594 -11.171 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.232 23.998 -9.799 1.00 0.00 H new ATOM 253 N SER A 18 10.848 23.572 -9.667 1.00 0.00 N ATOM 254 CA SER A 18 11.687 23.165 -8.553 1.00 0.00 C ATOM 255 C SER A 18 10.831 22.514 -7.464 1.00 0.00 C ATOM 256 O SER A 18 11.200 21.475 -6.919 1.00 0.00 O ATOM 257 CB SER A 18 12.456 24.358 -7.981 1.00 0.00 C ATOM 258 OG SER A 18 13.849 24.080 -7.850 1.00 0.00 O ATOM 0 H SER A 18 10.852 24.573 -9.862 1.00 0.00 H new ATOM 0 HA SER A 18 12.413 22.439 -8.918 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.318 25.223 -8.629 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.045 24.621 -7.006 1.00 0.00 H new ATOM 0 HG SER A 18 14.306 24.865 -7.484 1.00 0.00 H new ATOM 264 N LYS A 19 9.705 23.153 -7.180 1.00 0.00 N ATOM 265 CA LYS A 19 8.795 22.649 -6.166 1.00 0.00 C ATOM 266 C LYS A 19 8.651 21.134 -6.324 1.00 0.00 C ATOM 267 O LYS A 19 8.779 20.389 -5.352 1.00 0.00 O ATOM 268 CB LYS A 19 7.464 23.402 -6.219 1.00 0.00 C ATOM 269 CG LYS A 19 7.519 24.672 -5.366 1.00 0.00 C ATOM 270 CD LYS A 19 6.112 25.139 -4.988 1.00 0.00 C ATOM 271 CE LYS A 19 6.139 26.562 -4.426 1.00 0.00 C ATOM 272 NZ LYS A 19 5.546 26.595 -3.070 1.00 0.00 N ATOM 0 H LYS A 19 9.403 24.015 -7.634 1.00 0.00 H new ATOM 0 HA LYS A 19 9.198 22.829 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.230 23.663 -7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.662 22.755 -5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.098 24.483 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.033 25.461 -5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.465 25.103 -5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.686 24.460 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.166 26.925 -4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.588 27.231 -5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.572 27.568 -2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.560 26.268 -3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.089 25.972 -2.438 1.00 0.00 H new ATOM 286 N SER A 20 8.386 20.722 -7.555 1.00 0.00 N ATOM 287 CA SER A 20 8.223 19.309 -7.853 1.00 0.00 C ATOM 288 C SER A 20 8.893 18.975 -9.187 1.00 0.00 C ATOM 289 O SER A 20 8.298 19.165 -10.248 1.00 0.00 O ATOM 290 CB SER A 20 6.744 18.921 -7.889 1.00 0.00 C ATOM 291 OG SER A 20 6.225 18.670 -6.586 1.00 0.00 O ATOM 0 H SER A 20 8.280 21.342 -8.358 1.00 0.00 H new ATOM 0 HA SER A 20 8.702 18.734 -7.060 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.171 19.720 -8.359 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.618 18.032 -8.507 1.00 0.00 H new ATOM 0 HG SER A 20 5.278 18.427 -6.652 1.00 0.00 H new ATOM 297 N THR A 21 10.118 18.484 -9.090 1.00 0.00 N ATOM 298 CA THR A 21 10.875 18.121 -10.278 1.00 0.00 C ATOM 299 C THR A 21 10.810 16.610 -10.510 1.00 0.00 C ATOM 300 O THR A 21 11.352 15.833 -9.727 1.00 0.00 O ATOM 301 CB THR A 21 12.301 18.648 -10.108 1.00 0.00 C ATOM 302 OG1 THR A 21 12.209 20.022 -10.474 1.00 0.00 O ATOM 303 CG2 THR A 21 13.271 18.055 -11.132 1.00 0.00 C ATOM 0 H THR A 21 10.607 18.328 -8.208 1.00 0.00 H new ATOM 0 HA THR A 21 10.449 18.575 -11.173 1.00 0.00 H new ATOM 0 HB THR A 21 12.653 18.423 -9.101 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.510 20.456 -9.941 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.268 18.462 -10.967 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.299 16.971 -11.022 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.938 18.309 -12.138 1.00 0.00 H new ATOM 311 N TRP A 22 10.141 16.240 -11.592 1.00 0.00 N ATOM 312 CA TRP A 22 9.998 14.835 -11.939 1.00 0.00 C ATOM 313 C TRP A 22 10.686 14.609 -13.286 1.00 0.00 C ATOM 314 O TRP A 22 10.873 15.548 -14.058 1.00 0.00 O ATOM 315 CB TRP A 22 8.526 14.420 -11.943 1.00 0.00 C ATOM 316 CG TRP A 22 7.994 14.000 -10.571 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.518 14.263 -9.367 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.803 13.226 -10.311 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.757 13.719 -8.353 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.681 13.068 -8.944 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.861 12.679 -11.199 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.630 12.363 -8.346 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.817 11.977 -10.584 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.680 11.809 -9.211 1.00 0.00 C ATOM 0 H TRP A 22 9.692 16.888 -12.240 1.00 0.00 H new ATOM 0 HA TRP A 22 10.478 14.202 -11.193 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.926 15.250 -12.315 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.394 13.593 -12.641 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.423 14.830 -9.209 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.949 13.783 -7.353 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.936 12.791 -12.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.556 12.253 -7.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.065 11.535 -11.221 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.844 11.253 -8.814 1.00 0.00 H new ATOM 335 N VAL A 23 11.046 13.356 -13.527 1.00 0.00 N ATOM 336 CA VAL A 23 11.711 12.993 -14.767 1.00 0.00 C ATOM 337 C VAL A 23 11.492 11.504 -15.041 1.00 0.00 C ATOM 338 O VAL A 23 11.832 10.660 -14.213 1.00 0.00 O ATOM 339 CB VAL A 23 13.190 13.378 -14.700 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.881 12.698 -13.516 1.00 0.00 C ATOM 341 CG2 VAL A 23 13.902 13.050 -16.013 1.00 0.00 C ATOM 0 H VAL A 23 10.889 12.580 -12.884 1.00 0.00 H new ATOM 0 HA VAL A 23 11.284 13.544 -15.605 1.00 0.00 H new ATOM 0 HB VAL A 23 13.249 14.456 -14.548 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.931 12.989 -13.492 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.398 13.004 -12.588 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.807 11.616 -13.624 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.952 13.334 -15.938 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.828 11.980 -16.210 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.434 13.602 -16.828 1.00 0.00 H new ATOM 351 N ILE A 24 10.926 11.227 -16.206 1.00 0.00 N ATOM 352 CA ILE A 24 10.658 9.854 -16.600 1.00 0.00 C ATOM 353 C ILE A 24 11.982 9.138 -16.871 1.00 0.00 C ATOM 354 O ILE A 24 12.682 9.461 -17.830 1.00 0.00 O ATOM 355 CB ILE A 24 9.686 9.816 -17.781 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.394 10.567 -17.452 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.414 8.376 -18.221 1.00 0.00 C ATOM 358 CD1 ILE A 24 7.713 11.071 -18.726 1.00 0.00 C ATOM 0 H ILE A 24 10.645 11.930 -16.890 1.00 0.00 H new ATOM 0 HA ILE A 24 10.163 9.315 -15.792 1.00 0.00 H new ATOM 0 HB ILE A 24 10.152 10.328 -18.623 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.715 9.910 -16.908 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.616 11.409 -16.796 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.720 8.377 -19.062 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.349 7.905 -18.523 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.978 7.818 -17.392 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.797 11.601 -18.464 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.385 11.747 -19.255 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.471 10.224 -19.368 1.00 0.00 H new ATOM 370 N LEU A 25 12.287 8.179 -16.009 1.00 0.00 N ATOM 371 CA LEU A 25 13.515 7.414 -16.144 1.00 0.00 C ATOM 372 C LEU A 25 13.176 5.924 -16.228 1.00 0.00 C ATOM 373 O LEU A 25 12.383 5.418 -15.436 1.00 0.00 O ATOM 374 CB LEU A 25 14.487 7.761 -15.015 1.00 0.00 C ATOM 375 CG LEU A 25 15.676 8.645 -15.400 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.234 9.783 -16.322 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.400 9.162 -14.156 1.00 0.00 C ATOM 0 H LEU A 25 11.705 7.914 -15.214 1.00 0.00 H new ATOM 0 HA LEU A 25 14.029 7.676 -17.069 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.929 8.261 -14.223 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.872 6.832 -14.595 1.00 0.00 H new ATOM 0 HG LEU A 25 16.389 8.037 -15.957 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.096 10.397 -16.581 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.798 9.367 -17.230 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.492 10.397 -15.812 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.240 9.787 -14.458 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.709 9.749 -13.551 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.767 8.318 -13.572 1.00 0.00 H new ATOM 389 N HIS A 26 13.795 5.263 -17.195 1.00 0.00 N ATOM 390 CA HIS A 26 13.569 3.842 -17.394 1.00 0.00 C ATOM 391 C HIS A 26 12.103 3.510 -17.107 1.00 0.00 C ATOM 392 O HIS A 26 11.803 2.483 -16.500 1.00 0.00 O ATOM 393 CB HIS A 26 14.540 3.014 -16.549 1.00 0.00 C ATOM 394 CG HIS A 26 15.399 3.837 -15.618 1.00 0.00 C ATOM 395 ND1 HIS A 26 16.135 4.929 -16.045 1.00 0.00 N ATOM 396 CD2 HIS A 26 15.631 3.717 -14.280 1.00 0.00 C ATOM 397 CE1 HIS A 26 16.776 5.435 -15.002 1.00 0.00 C ATOM 398 NE2 HIS A 26 16.463 4.682 -13.909 1.00 0.00 N ATOM 0 H HIS A 26 14.453 5.686 -17.849 1.00 0.00 H new ATOM 0 HA HIS A 26 13.768 3.581 -18.433 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.971 2.294 -15.961 1.00 0.00 H new ATOM 0 HB3 HIS A 26 15.187 2.442 -17.214 1.00 0.00 H new ATOM 0 HD1 HIS A 26 16.177 5.284 -17.000 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.209 2.964 -13.631 1.00 0.00 H new ATOM 0 HE1 HIS A 26 17.431 6.293 -15.015 1.00 0.00 H new ATOM 406 N HIS A 27 11.229 4.398 -17.558 1.00 0.00 N ATOM 407 CA HIS A 27 9.803 4.213 -17.356 1.00 0.00 C ATOM 408 C HIS A 27 9.471 4.357 -15.870 1.00 0.00 C ATOM 409 O HIS A 27 8.818 3.492 -15.290 1.00 0.00 O ATOM 410 CB HIS A 27 9.341 2.876 -17.940 1.00 0.00 C ATOM 411 CG HIS A 27 9.392 2.814 -19.448 1.00 0.00 C ATOM 412 ND1 HIS A 27 8.256 2.712 -20.233 1.00 0.00 N ATOM 413 CD2 HIS A 27 10.452 2.840 -20.306 1.00 0.00 C ATOM 414 CE1 HIS A 27 8.628 2.679 -21.504 1.00 0.00 C ATOM 415 NE2 HIS A 27 9.989 2.757 -21.548 1.00 0.00 N ATOM 0 H HIS A 27 11.482 5.248 -18.063 1.00 0.00 H new ATOM 0 HA HIS A 27 9.253 4.987 -17.891 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.963 2.079 -17.533 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.319 2.682 -17.613 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.492 2.915 -20.023 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.969 2.604 -22.356 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.557 2.752 -22.395 1.00 0.00 H new ATOM 423 N LYS A 28 9.933 5.459 -15.298 1.00 0.00 N ATOM 424 CA LYS A 28 9.694 5.729 -13.890 1.00 0.00 C ATOM 425 C LYS A 28 10.122 7.162 -13.570 1.00 0.00 C ATOM 426 O LYS A 28 11.252 7.554 -13.854 1.00 0.00 O ATOM 427 CB LYS A 28 10.377 4.673 -13.019 1.00 0.00 C ATOM 428 CG LYS A 28 11.775 5.130 -12.601 1.00 0.00 C ATOM 429 CD LYS A 28 12.696 3.930 -12.362 1.00 0.00 C ATOM 430 CE LYS A 28 12.097 2.978 -11.324 1.00 0.00 C ATOM 431 NZ LYS A 28 12.859 1.710 -11.283 1.00 0.00 N ATOM 0 H LYS A 28 10.472 6.176 -15.784 1.00 0.00 H new ATOM 0 HA LYS A 28 8.630 5.656 -13.663 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.773 4.481 -12.132 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.446 3.733 -13.567 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.199 5.770 -13.375 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.709 5.729 -11.693 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.856 3.398 -13.299 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.672 4.278 -12.022 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.109 3.448 -10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.054 2.775 -11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.439 1.076 -10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.826 1.255 -12.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.848 1.907 -11.029 1.00 0.00 H new ATOM 445 N VAL A 29 9.195 7.905 -12.983 1.00 0.00 N ATOM 446 CA VAL A 29 9.463 9.286 -12.620 1.00 0.00 C ATOM 447 C VAL A 29 10.392 9.320 -11.405 1.00 0.00 C ATOM 448 O VAL A 29 10.267 8.496 -10.501 1.00 0.00 O ATOM 449 CB VAL A 29 8.147 10.031 -12.387 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.227 9.912 -13.604 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.448 9.528 -11.122 1.00 0.00 C ATOM 0 H VAL A 29 8.258 7.577 -12.750 1.00 0.00 H new ATOM 0 HA VAL A 29 9.974 9.801 -13.433 1.00 0.00 H new ATOM 0 HB VAL A 29 8.381 11.086 -12.244 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.299 10.450 -13.412 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.721 10.340 -14.477 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.005 8.861 -13.791 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.515 10.074 -10.980 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.234 8.464 -11.223 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.096 9.687 -10.260 1.00 0.00 H new ATOM 461 N TYR A 30 11.303 10.281 -11.422 1.00 0.00 N ATOM 462 CA TYR A 30 12.252 10.433 -10.333 1.00 0.00 C ATOM 463 C TYR A 30 12.078 11.785 -9.638 1.00 0.00 C ATOM 464 O TYR A 30 12.478 12.818 -10.171 1.00 0.00 O ATOM 465 CB TYR A 30 13.641 10.378 -10.973 1.00 0.00 C ATOM 466 CG TYR A 30 14.230 8.969 -11.063 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.439 7.872 -10.787 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.552 8.794 -11.419 1.00 0.00 C ATOM 469 CE1 TYR A 30 13.993 6.545 -10.872 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.106 7.469 -11.504 1.00 0.00 C ATOM 471 CZ TYR A 30 15.299 6.409 -11.225 1.00 0.00 C ATOM 472 OH TYR A 30 15.823 5.156 -11.305 1.00 0.00 O ATOM 0 H TYR A 30 11.404 10.963 -12.174 1.00 0.00 H new ATOM 0 HA TYR A 30 12.105 9.654 -9.585 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.585 10.802 -11.976 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.320 11.008 -10.398 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.405 8.009 -10.507 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.171 9.652 -11.634 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.385 5.678 -10.660 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.139 7.319 -11.783 1.00 0.00 H new ATOM 0 HH TYR A 30 16.192 5.012 -12.201 1.00 0.00 H new ATOM 482 N ASP A 31 11.479 11.733 -8.457 1.00 0.00 N ATOM 483 CA ASP A 31 11.245 12.940 -7.683 1.00 0.00 C ATOM 484 C ASP A 31 12.568 13.416 -7.079 1.00 0.00 C ATOM 485 O ASP A 31 12.819 13.219 -5.890 1.00 0.00 O ATOM 486 CB ASP A 31 10.268 12.679 -6.535 1.00 0.00 C ATOM 487 CG ASP A 31 10.084 13.847 -5.565 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.851 14.824 -5.700 1.00 0.00 O ATOM 489 OD2 ASP A 31 9.179 13.735 -4.709 1.00 0.00 O ATOM 0 H ASP A 31 11.149 10.874 -8.018 1.00 0.00 H new ATOM 0 HA ASP A 31 10.823 13.692 -8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.297 12.420 -6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.614 11.811 -5.974 1.00 0.00 H new ATOM 494 N LEU A 32 13.380 14.034 -7.924 1.00 0.00 N ATOM 495 CA LEU A 32 14.671 14.539 -7.487 1.00 0.00 C ATOM 496 C LEU A 32 14.533 16.014 -7.104 1.00 0.00 C ATOM 497 O LEU A 32 15.430 16.814 -7.365 1.00 0.00 O ATOM 498 CB LEU A 32 15.737 14.278 -8.553 1.00 0.00 C ATOM 499 CG LEU A 32 15.578 15.050 -9.864 1.00 0.00 C ATOM 500 CD1 LEU A 32 16.778 15.967 -10.109 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.336 14.096 -11.036 1.00 0.00 C ATOM 0 H LEU A 32 13.169 14.197 -8.909 1.00 0.00 H new ATOM 0 HA LEU A 32 15.007 14.007 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.712 14.518 -8.129 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.742 13.212 -8.780 1.00 0.00 H new ATOM 0 HG LEU A 32 14.698 15.687 -9.781 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.640 16.504 -11.047 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.863 16.682 -9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.688 15.369 -10.164 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.226 14.670 -11.956 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.182 13.415 -11.132 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.427 13.522 -10.856 1.00 0.00 H new ATOM 513 N THR A 33 13.401 16.330 -6.492 1.00 0.00 N ATOM 514 CA THR A 33 13.135 17.695 -6.070 1.00 0.00 C ATOM 515 C THR A 33 14.214 18.173 -5.097 1.00 0.00 C ATOM 516 O THR A 33 14.821 19.223 -5.305 1.00 0.00 O ATOM 517 CB THR A 33 11.723 17.741 -5.483 1.00 0.00 C ATOM 518 OG1 THR A 33 10.897 17.233 -6.526 1.00 0.00 O ATOM 519 CG2 THR A 33 11.222 19.172 -5.274 1.00 0.00 C ATOM 0 H THR A 33 12.658 15.665 -6.278 1.00 0.00 H new ATOM 0 HA THR A 33 13.175 18.385 -6.913 1.00 0.00 H new ATOM 0 HB THR A 33 11.708 17.209 -4.532 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.568 16.343 -6.279 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.216 19.148 -4.856 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.888 19.694 -4.587 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.205 19.695 -6.230 1.00 0.00 H new ATOM 527 N LYS A 34 14.418 17.381 -4.055 1.00 0.00 N ATOM 528 CA LYS A 34 15.414 17.710 -3.048 1.00 0.00 C ATOM 529 C LYS A 34 16.809 17.623 -3.670 1.00 0.00 C ATOM 530 O LYS A 34 17.679 18.439 -3.367 1.00 0.00 O ATOM 531 CB LYS A 34 15.236 16.829 -1.811 1.00 0.00 C ATOM 532 CG LYS A 34 13.755 16.540 -1.551 1.00 0.00 C ATOM 533 CD LYS A 34 13.441 15.058 -1.760 1.00 0.00 C ATOM 534 CE LYS A 34 12.156 14.879 -2.572 1.00 0.00 C ATOM 535 NZ LYS A 34 10.999 14.672 -1.671 1.00 0.00 N ATOM 0 H LYS A 34 13.911 16.512 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 34 15.282 18.735 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.775 15.891 -1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.672 17.323 -0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.498 16.830 -0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.140 17.143 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.271 14.576 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.336 14.565 -0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.987 15.757 -3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.259 14.027 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.135 14.552 -2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.156 13.821 -1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.892 15.498 -1.047 1.00 0.00 H new ATOM 549 N TYR A 35 16.980 16.628 -4.528 1.00 0.00 N ATOM 550 CA TYR A 35 18.254 16.424 -5.194 1.00 0.00 C ATOM 551 C TYR A 35 18.313 17.196 -6.514 1.00 0.00 C ATOM 552 O TYR A 35 19.155 16.915 -7.364 1.00 0.00 O ATOM 553 CB TYR A 35 18.341 14.925 -5.489 1.00 0.00 C ATOM 554 CG TYR A 35 19.667 14.490 -6.117 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.757 14.223 -5.314 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.772 14.365 -7.487 1.00 0.00 C ATOM 557 CE1 TYR A 35 22.005 13.814 -5.906 1.00 0.00 C ATOM 558 CE2 TYR A 35 21.020 13.956 -8.079 1.00 0.00 C ATOM 559 CZ TYR A 35 22.074 13.700 -7.259 1.00 0.00 C ATOM 560 OH TYR A 35 23.252 13.315 -7.818 1.00 0.00 O ATOM 0 H TYR A 35 16.256 15.954 -4.777 1.00 0.00 H new ATOM 0 HA TYR A 35 19.074 16.775 -4.568 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.192 14.373 -4.561 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.526 14.649 -6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.674 14.321 -4.242 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.919 14.574 -8.115 1.00 0.00 H new ATOM 0 HE1 TYR A 35 22.866 13.603 -5.289 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.116 13.855 -9.150 1.00 0.00 H new ATOM 0 HH TYR A 35 23.154 13.275 -8.792 1.00 0.00 H new ATOM 570 N LEU A 36 17.406 18.153 -6.644 1.00 0.00 N ATOM 571 CA LEU A 36 17.343 18.966 -7.846 1.00 0.00 C ATOM 572 C LEU A 36 18.529 19.933 -7.864 1.00 0.00 C ATOM 573 O LEU A 36 19.205 20.072 -8.883 1.00 0.00 O ATOM 574 CB LEU A 36 15.984 19.659 -7.953 1.00 0.00 C ATOM 575 CG LEU A 36 15.827 20.655 -9.105 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.558 21.964 -8.802 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.282 20.036 -10.429 1.00 0.00 C ATOM 0 H LEU A 36 16.709 18.383 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 36 17.427 18.340 -8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.215 18.893 -8.054 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.791 20.183 -7.017 1.00 0.00 H new ATOM 0 HG LEU A 36 14.769 20.895 -9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.430 22.654 -9.636 1.00 0.00 H new ATOM 0 HD12 LEU A 36 16.146 22.410 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.619 21.763 -8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.160 20.764 -11.232 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.331 19.749 -10.355 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.679 19.154 -10.645 1.00 0.00 H new ATOM 589 N GLU A 37 18.746 20.575 -6.726 1.00 0.00 N ATOM 590 CA GLU A 37 19.839 21.524 -6.600 1.00 0.00 C ATOM 591 C GLU A 37 21.108 20.811 -6.130 1.00 0.00 C ATOM 592 O GLU A 37 22.191 21.397 -6.133 1.00 0.00 O ATOM 593 CB GLU A 37 19.467 22.665 -5.649 1.00 0.00 C ATOM 594 CG GLU A 37 19.261 22.146 -4.224 1.00 0.00 C ATOM 595 CD GLU A 37 17.780 22.164 -3.842 1.00 0.00 C ATOM 596 OE1 GLU A 37 17.100 23.131 -4.250 1.00 0.00 O ATOM 597 OE2 GLU A 37 17.360 21.211 -3.150 1.00 0.00 O ATOM 0 H GLU A 37 18.184 20.457 -5.883 1.00 0.00 H new ATOM 0 HA GLU A 37 20.032 21.960 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.254 23.419 -5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 37 18.556 23.152 -5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 37 19.648 21.130 -4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.828 22.760 -3.524 1.00 0.00 H new ATOM 604 N GLU A 38 20.935 19.558 -5.738 1.00 0.00 N ATOM 605 CA GLU A 38 22.054 18.760 -5.267 1.00 0.00 C ATOM 606 C GLU A 38 22.792 18.132 -6.450 1.00 0.00 C ATOM 607 O GLU A 38 23.957 17.756 -6.331 1.00 0.00 O ATOM 608 CB GLU A 38 21.586 17.688 -4.281 1.00 0.00 C ATOM 609 CG GLU A 38 22.764 17.123 -3.484 1.00 0.00 C ATOM 610 CD GLU A 38 22.909 17.838 -2.140 1.00 0.00 C ATOM 611 OE1 GLU A 38 23.609 18.874 -2.120 1.00 0.00 O ATOM 612 OE2 GLU A 38 22.318 17.332 -1.161 1.00 0.00 O ATOM 0 H GLU A 38 20.036 19.075 -5.737 1.00 0.00 H new ATOM 0 HA GLU A 38 22.746 19.416 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.851 18.113 -3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.089 16.883 -4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.617 16.056 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.683 17.233 -4.059 1.00 0.00 H new ATOM 619 N HIS A 39 22.085 18.036 -7.566 1.00 0.00 N ATOM 620 CA HIS A 39 22.658 17.460 -8.770 1.00 0.00 C ATOM 621 C HIS A 39 24.012 18.112 -9.056 1.00 0.00 C ATOM 622 O HIS A 39 24.106 19.334 -9.162 1.00 0.00 O ATOM 623 CB HIS A 39 21.684 17.575 -9.945 1.00 0.00 C ATOM 624 CG HIS A 39 21.990 16.638 -11.090 1.00 0.00 C ATOM 625 ND1 HIS A 39 21.896 17.020 -12.417 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.388 15.334 -11.091 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.226 15.985 -13.174 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.530 14.940 -12.351 1.00 0.00 N ATOM 0 H HIS A 39 21.119 18.348 -7.662 1.00 0.00 H new ATOM 0 HA HIS A 39 22.831 16.394 -8.621 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.674 17.377 -9.587 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.696 18.600 -10.315 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.620 17.942 -12.754 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.559 14.725 -10.216 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.250 15.970 -14.254 1.00 0.00 H new ATOM 636 N PRO A 40 25.053 17.245 -9.177 1.00 0.00 N ATOM 637 CA PRO A 40 26.398 17.724 -9.449 1.00 0.00 C ATOM 638 C PRO A 40 26.542 18.154 -10.911 1.00 0.00 C ATOM 639 O PRO A 40 27.319 19.054 -11.222 1.00 0.00 O ATOM 640 CB PRO A 40 27.310 16.567 -9.078 1.00 0.00 C ATOM 641 CG PRO A 40 26.426 15.331 -9.054 1.00 0.00 C ATOM 642 CD PRO A 40 24.978 15.793 -9.057 1.00 0.00 C ATOM 0 HA PRO A 40 26.652 18.614 -8.874 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.116 16.457 -9.804 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.776 16.733 -8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.627 14.701 -9.920 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.633 14.731 -8.168 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.424 15.355 -9.888 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.466 15.497 -8.141 1.00 0.00 H new ATOM 650 N GLY A 41 25.779 17.490 -11.767 1.00 0.00 N ATOM 651 CA GLY A 41 25.812 17.792 -13.187 1.00 0.00 C ATOM 652 C GLY A 41 25.258 19.191 -13.463 1.00 0.00 C ATOM 653 O GLY A 41 25.989 20.079 -13.898 1.00 0.00 O ATOM 0 H GLY A 41 25.135 16.744 -11.504 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.836 17.724 -13.553 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.228 17.051 -13.734 1.00 0.00 H new ATOM 657 N GLY A 42 23.969 19.345 -13.199 1.00 0.00 N ATOM 658 CA GLY A 42 23.306 20.620 -13.414 1.00 0.00 C ATOM 659 C GLY A 42 21.866 20.584 -12.898 1.00 0.00 C ATOM 660 O GLY A 42 21.215 19.541 -12.936 1.00 0.00 O ATOM 0 H GLY A 42 23.365 18.607 -12.838 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.858 21.411 -12.906 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.309 20.861 -14.477 1.00 0.00 H new ATOM 664 N GLU A 43 21.411 21.736 -12.429 1.00 0.00 N ATOM 665 CA GLU A 43 20.059 21.850 -11.907 1.00 0.00 C ATOM 666 C GLU A 43 19.076 22.151 -13.040 1.00 0.00 C ATOM 667 O GLU A 43 17.863 22.081 -12.848 1.00 0.00 O ATOM 668 CB GLU A 43 19.982 22.918 -10.815 1.00 0.00 C ATOM 669 CG GLU A 43 20.100 24.323 -11.412 1.00 0.00 C ATOM 670 CD GLU A 43 20.076 25.388 -10.314 1.00 0.00 C ATOM 671 OE1 GLU A 43 20.516 25.058 -9.192 1.00 0.00 O ATOM 672 OE2 GLU A 43 19.618 26.510 -10.623 1.00 0.00 O ATOM 0 H GLU A 43 21.954 22.599 -12.399 1.00 0.00 H new ATOM 0 HA GLU A 43 19.782 20.897 -11.457 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.039 22.826 -10.277 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.780 22.759 -10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.026 24.404 -11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.280 24.496 -12.109 1.00 0.00 H new ATOM 679 N GLU A 44 19.637 22.480 -14.194 1.00 0.00 N ATOM 680 CA GLU A 44 18.824 22.792 -15.358 1.00 0.00 C ATOM 681 C GLU A 44 18.617 21.540 -16.213 1.00 0.00 C ATOM 682 O GLU A 44 17.485 21.183 -16.533 1.00 0.00 O ATOM 683 CB GLU A 44 19.453 23.918 -16.180 1.00 0.00 C ATOM 684 CG GLU A 44 18.418 24.570 -17.100 1.00 0.00 C ATOM 685 CD GLU A 44 18.835 25.995 -17.471 1.00 0.00 C ATOM 686 OE1 GLU A 44 19.227 26.732 -16.542 1.00 0.00 O ATOM 687 OE2 GLU A 44 18.752 26.315 -18.678 1.00 0.00 O ATOM 0 H GLU A 44 20.644 22.537 -14.348 1.00 0.00 H new ATOM 0 HA GLU A 44 17.850 23.138 -15.013 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.875 24.669 -15.512 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.276 23.522 -16.775 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.304 23.973 -18.005 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.447 24.588 -16.605 1.00 0.00 H new ATOM 694 N VAL A 45 19.729 20.907 -16.557 1.00 0.00 N ATOM 695 CA VAL A 45 19.684 19.702 -17.368 1.00 0.00 C ATOM 696 C VAL A 45 18.509 18.832 -16.917 1.00 0.00 C ATOM 697 O VAL A 45 17.943 18.085 -17.713 1.00 0.00 O ATOM 698 CB VAL A 45 21.028 18.975 -17.300 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.698 19.189 -15.941 1.00 0.00 C ATOM 700 CG2 VAL A 45 20.861 17.483 -17.599 1.00 0.00 C ATOM 0 H VAL A 45 20.667 21.206 -16.289 1.00 0.00 H new ATOM 0 HA VAL A 45 19.519 19.953 -18.416 1.00 0.00 H new ATOM 0 HB VAL A 45 21.677 19.400 -18.066 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.652 18.662 -15.919 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.868 20.254 -15.783 1.00 0.00 H new ATOM 0 HG13 VAL A 45 21.052 18.804 -15.152 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.832 16.990 -17.544 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.186 17.039 -16.867 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.446 17.357 -18.599 1.00 0.00 H new ATOM 710 N LEU A 46 18.178 18.958 -15.640 1.00 0.00 N ATOM 711 CA LEU A 46 17.081 18.193 -15.072 1.00 0.00 C ATOM 712 C LEU A 46 15.760 18.904 -15.372 1.00 0.00 C ATOM 713 O LEU A 46 14.891 18.350 -16.045 1.00 0.00 O ATOM 714 CB LEU A 46 17.319 17.939 -13.583 1.00 0.00 C ATOM 715 CG LEU A 46 18.771 17.697 -13.167 1.00 0.00 C ATOM 716 CD1 LEU A 46 19.026 18.203 -11.746 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.149 16.223 -13.328 1.00 0.00 C ATOM 0 H LEU A 46 18.650 19.579 -14.983 1.00 0.00 H new ATOM 0 HA LEU A 46 17.025 17.207 -15.534 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.940 18.794 -13.024 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.727 17.074 -13.283 1.00 0.00 H new ATOM 0 HG LEU A 46 19.417 18.269 -13.833 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.066 18.019 -11.475 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.823 19.273 -11.699 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.371 17.678 -11.050 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.186 16.078 -13.026 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.500 15.610 -12.702 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.031 15.929 -14.371 1.00 0.00 H new ATOM 729 N ARG A 47 15.650 20.120 -14.858 1.00 0.00 N ATOM 730 CA ARG A 47 14.449 20.912 -15.062 1.00 0.00 C ATOM 731 C ARG A 47 14.169 21.076 -16.557 1.00 0.00 C ATOM 732 O ARG A 47 13.079 20.750 -17.028 1.00 0.00 O ATOM 733 CB ARG A 47 14.587 22.296 -14.422 1.00 0.00 C ATOM 734 CG ARG A 47 14.669 22.190 -12.899 1.00 0.00 C ATOM 735 CD ARG A 47 14.252 23.503 -12.234 1.00 0.00 C ATOM 736 NE ARG A 47 15.279 24.540 -12.476 1.00 0.00 N ATOM 737 CZ ARG A 47 15.451 25.621 -11.701 1.00 0.00 C ATOM 738 NH1 ARG A 47 14.666 25.813 -10.633 1.00 0.00 N ATOM 739 NH2 ARG A 47 16.409 26.511 -11.997 1.00 0.00 N ATOM 0 H ARG A 47 16.372 20.576 -14.301 1.00 0.00 H new ATOM 0 HA ARG A 47 13.620 20.385 -14.589 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.480 22.790 -14.804 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.735 22.916 -14.702 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.025 21.382 -12.552 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.687 21.936 -12.603 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.291 23.832 -12.630 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.121 23.352 -11.162 1.00 0.00 H new ATOM 0 HE ARG A 47 15.894 24.426 -13.282 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.936 25.137 -10.408 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.798 26.636 -10.044 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.006 26.366 -12.811 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.541 27.333 -11.408 1.00 0.00 H new ATOM 753 N GLU A 48 15.171 21.580 -17.264 1.00 0.00 N ATOM 754 CA GLU A 48 15.044 21.790 -18.696 1.00 0.00 C ATOM 755 C GLU A 48 14.176 20.696 -19.319 1.00 0.00 C ATOM 756 O GLU A 48 13.295 20.983 -20.128 1.00 0.00 O ATOM 757 CB GLU A 48 16.420 21.844 -19.365 1.00 0.00 C ATOM 758 CG GLU A 48 16.301 22.286 -20.825 1.00 0.00 C ATOM 759 CD GLU A 48 16.178 23.807 -20.931 1.00 0.00 C ATOM 760 OE1 GLU A 48 16.862 24.489 -20.137 1.00 0.00 O ATOM 761 OE2 GLU A 48 15.402 24.254 -21.802 1.00 0.00 O ATOM 0 H GLU A 48 16.073 21.849 -16.872 1.00 0.00 H new ATOM 0 HA GLU A 48 14.556 22.751 -18.861 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.065 22.535 -18.823 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.892 20.863 -19.315 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.175 21.949 -21.383 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.430 21.815 -21.281 1.00 0.00 H new ATOM 768 N GLN A 49 14.453 19.464 -18.918 1.00 0.00 N ATOM 769 CA GLN A 49 13.708 18.325 -19.426 1.00 0.00 C ATOM 770 C GLN A 49 13.261 17.425 -18.273 1.00 0.00 C ATOM 771 O GLN A 49 13.420 16.206 -18.334 1.00 0.00 O ATOM 772 CB GLN A 49 14.535 17.539 -20.445 1.00 0.00 C ATOM 773 CG GLN A 49 15.854 17.065 -19.833 1.00 0.00 C ATOM 774 CD GLN A 49 16.793 16.516 -20.910 1.00 0.00 C ATOM 775 OE1 GLN A 49 17.832 17.081 -21.210 1.00 0.00 O ATOM 776 NE2 GLN A 49 16.371 15.388 -21.472 1.00 0.00 N ATOM 0 H GLN A 49 15.184 19.230 -18.246 1.00 0.00 H new ATOM 0 HA GLN A 49 12.820 18.696 -19.937 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.964 16.680 -20.797 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.738 18.165 -21.314 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.336 17.893 -19.313 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.657 16.293 -19.089 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.491 14.968 -21.173 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.927 14.943 -22.202 1.00 0.00 H new ATOM 785 N ALA A 50 12.711 18.060 -17.247 1.00 0.00 N ATOM 786 CA ALA A 50 12.239 17.332 -16.082 1.00 0.00 C ATOM 787 C ALA A 50 11.039 16.468 -16.476 1.00 0.00 C ATOM 788 O ALA A 50 11.204 15.324 -16.897 1.00 0.00 O ATOM 789 CB ALA A 50 11.904 18.320 -14.964 1.00 0.00 C ATOM 0 H ALA A 50 12.582 19.071 -17.199 1.00 0.00 H new ATOM 0 HA ALA A 50 13.015 16.665 -15.706 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.550 17.774 -14.090 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.797 18.887 -14.700 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.126 19.004 -15.304 1.00 0.00 H new ATOM 795 N GLY A 51 9.858 17.049 -16.324 1.00 0.00 N ATOM 796 CA GLY A 51 8.630 16.347 -16.659 1.00 0.00 C ATOM 797 C GLY A 51 8.783 15.567 -17.967 1.00 0.00 C ATOM 798 O GLY A 51 8.179 14.510 -18.138 1.00 0.00 O ATOM 0 H GLY A 51 9.725 17.998 -15.973 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.366 15.663 -15.852 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.812 17.062 -16.751 1.00 0.00 H new ATOM 802 N GLY A 52 9.595 16.120 -18.856 1.00 0.00 N ATOM 803 CA GLY A 52 9.835 15.491 -20.143 1.00 0.00 C ATOM 804 C GLY A 52 10.430 14.092 -19.967 1.00 0.00 C ATOM 805 O GLY A 52 10.055 13.365 -19.048 1.00 0.00 O ATOM 0 H GLY A 52 10.095 16.997 -18.710 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.900 15.425 -20.700 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.514 16.107 -20.732 1.00 0.00 H new ATOM 809 N ASP A 53 11.349 13.758 -20.861 1.00 0.00 N ATOM 810 CA ASP A 53 12.000 12.460 -20.816 1.00 0.00 C ATOM 811 C ASP A 53 13.517 12.653 -20.861 1.00 0.00 C ATOM 812 O ASP A 53 14.063 13.066 -21.884 1.00 0.00 O ATOM 813 CB ASP A 53 11.597 11.600 -22.015 1.00 0.00 C ATOM 814 CG ASP A 53 12.285 10.235 -22.092 1.00 0.00 C ATOM 815 OD1 ASP A 53 12.025 9.417 -21.183 1.00 0.00 O ATOM 816 OD2 ASP A 53 13.054 10.040 -23.057 1.00 0.00 O ATOM 0 H ASP A 53 11.658 14.364 -21.621 1.00 0.00 H new ATOM 0 HA ASP A 53 11.695 11.962 -19.896 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.518 11.445 -21.986 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.815 12.152 -22.929 1.00 0.00 H new ATOM 821 N ALA A 54 14.155 12.345 -19.742 1.00 0.00 N ATOM 822 CA ALA A 54 15.598 12.480 -19.642 1.00 0.00 C ATOM 823 C ALA A 54 16.228 11.092 -19.506 1.00 0.00 C ATOM 824 O ALA A 54 17.317 10.952 -18.953 1.00 0.00 O ATOM 825 CB ALA A 54 15.945 13.395 -18.466 1.00 0.00 C ATOM 0 H ALA A 54 13.699 12.002 -18.896 1.00 0.00 H new ATOM 0 HA ALA A 54 16.004 12.939 -20.543 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.028 13.496 -18.391 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.499 14.377 -18.625 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.556 12.965 -17.543 1.00 0.00 H new ATOM 831 N THR A 55 15.514 10.101 -20.020 1.00 0.00 N ATOM 832 CA THR A 55 15.988 8.728 -19.964 1.00 0.00 C ATOM 833 C THR A 55 17.405 8.630 -20.532 1.00 0.00 C ATOM 834 O THR A 55 18.358 8.380 -19.795 1.00 0.00 O ATOM 835 CB THR A 55 14.977 7.847 -20.698 1.00 0.00 C ATOM 836 OG1 THR A 55 13.876 7.757 -19.797 1.00 0.00 O ATOM 837 CG2 THR A 55 15.457 6.402 -20.846 1.00 0.00 C ATOM 0 H THR A 55 14.610 10.222 -20.477 1.00 0.00 H new ATOM 0 HA THR A 55 16.059 8.376 -18.935 1.00 0.00 H new ATOM 0 HB THR A 55 14.780 8.266 -21.685 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.130 8.293 -20.138 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.702 5.820 -21.374 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.389 6.384 -21.411 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.623 5.971 -19.859 1.00 0.00 H new ATOM 845 N GLU A 56 17.500 8.833 -21.838 1.00 0.00 N ATOM 846 CA GLU A 56 18.784 8.771 -22.514 1.00 0.00 C ATOM 847 C GLU A 56 19.728 9.839 -21.959 1.00 0.00 C ATOM 848 O GLU A 56 20.923 9.593 -21.795 1.00 0.00 O ATOM 849 CB GLU A 56 18.615 8.922 -24.027 1.00 0.00 C ATOM 850 CG GLU A 56 17.749 7.797 -24.597 1.00 0.00 C ATOM 851 CD GLU A 56 18.554 6.914 -25.553 1.00 0.00 C ATOM 852 OE1 GLU A 56 18.834 7.398 -26.671 1.00 0.00 O ATOM 853 OE2 GLU A 56 18.871 5.777 -25.144 1.00 0.00 O ATOM 0 H GLU A 56 16.708 9.041 -22.446 1.00 0.00 H new ATOM 0 HA GLU A 56 19.224 7.792 -22.327 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.159 9.886 -24.251 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.593 8.913 -24.508 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.353 7.190 -23.783 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.894 8.222 -25.122 1.00 0.00 H new ATOM 860 N ASN A 57 19.158 11.003 -21.685 1.00 0.00 N ATOM 861 CA ASN A 57 19.935 12.110 -21.151 1.00 0.00 C ATOM 862 C ASN A 57 20.507 11.715 -19.789 1.00 0.00 C ATOM 863 O ASN A 57 21.463 12.325 -19.312 1.00 0.00 O ATOM 864 CB ASN A 57 19.062 13.351 -20.956 1.00 0.00 C ATOM 865 CG ASN A 57 19.157 14.284 -22.165 1.00 0.00 C ATOM 866 OD1 ASN A 57 18.369 14.220 -23.095 1.00 0.00 O ATOM 867 ND2 ASN A 57 20.162 15.152 -22.101 1.00 0.00 N ATOM 0 H ASN A 57 18.168 11.204 -21.823 1.00 0.00 H new ATOM 0 HA ASN A 57 20.731 12.337 -21.860 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.025 13.050 -20.805 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.374 13.882 -20.057 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.310 15.818 -22.859 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.785 15.152 -21.293 1.00 0.00 H new ATOM 874 N PHE A 58 19.898 10.696 -19.199 1.00 0.00 N ATOM 875 CA PHE A 58 20.336 10.213 -17.901 1.00 0.00 C ATOM 876 C PHE A 58 21.285 9.022 -18.049 1.00 0.00 C ATOM 877 O PHE A 58 22.272 8.916 -17.323 1.00 0.00 O ATOM 878 CB PHE A 58 19.084 9.762 -17.146 1.00 0.00 C ATOM 879 CG PHE A 58 19.351 8.705 -16.072 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.498 7.400 -16.424 1.00 0.00 C ATOM 881 CD2 PHE A 58 19.442 9.072 -14.766 1.00 0.00 C ATOM 882 CE1 PHE A 58 19.746 6.420 -15.427 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.690 8.091 -13.769 1.00 0.00 C ATOM 884 CZ PHE A 58 19.837 6.786 -14.121 1.00 0.00 C ATOM 0 H PHE A 58 19.105 10.192 -19.596 1.00 0.00 H new ATOM 0 HA PHE A 58 20.869 11.003 -17.371 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.621 10.631 -16.678 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.364 9.364 -17.862 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.426 7.109 -17.462 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.326 10.109 -14.487 1.00 0.00 H new ATOM 0 HE1 PHE A 58 19.862 5.383 -15.706 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.762 8.382 -12.731 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.026 6.040 -13.363 1.00 0.00 H new ATOM 894 N GLU A 59 20.952 8.156 -18.996 1.00 0.00 N ATOM 895 CA GLU A 59 21.761 6.977 -19.249 1.00 0.00 C ATOM 896 C GLU A 59 23.005 7.351 -20.057 1.00 0.00 C ATOM 897 O GLU A 59 24.071 6.767 -19.869 1.00 0.00 O ATOM 898 CB GLU A 59 20.947 5.896 -19.964 1.00 0.00 C ATOM 899 CG GLU A 59 19.825 5.371 -19.066 1.00 0.00 C ATOM 900 CD GLU A 59 19.382 3.973 -19.503 1.00 0.00 C ATOM 901 OE1 GLU A 59 20.284 3.149 -19.769 1.00 0.00 O ATOM 902 OE2 GLU A 59 18.152 3.760 -19.561 1.00 0.00 O ATOM 0 H GLU A 59 20.133 8.248 -19.597 1.00 0.00 H new ATOM 0 HA GLU A 59 22.083 6.569 -18.291 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.523 6.303 -20.882 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.602 5.074 -20.252 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.166 5.341 -18.031 1.00 0.00 H new ATOM 0 HG3 GLU A 59 18.976 6.053 -19.102 1.00 0.00 H new ATOM 909 N ASP A 60 22.828 8.323 -20.941 1.00 0.00 N ATOM 910 CA ASP A 60 23.922 8.782 -21.778 1.00 0.00 C ATOM 911 C ASP A 60 25.062 9.287 -20.890 1.00 0.00 C ATOM 912 O ASP A 60 26.228 8.995 -21.145 1.00 0.00 O ATOM 913 CB ASP A 60 23.480 9.935 -22.680 1.00 0.00 C ATOM 914 CG ASP A 60 24.524 10.398 -23.698 1.00 0.00 C ATOM 915 OD1 ASP A 60 25.240 9.514 -24.218 1.00 0.00 O ATOM 916 OD2 ASP A 60 24.584 11.623 -23.933 1.00 0.00 O ATOM 0 H ASP A 60 21.942 8.805 -21.095 1.00 0.00 H new ATOM 0 HA ASP A 60 24.247 7.945 -22.396 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.581 9.632 -23.217 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.206 10.783 -22.052 1.00 0.00 H new ATOM 921 N VAL A 61 24.682 10.036 -19.865 1.00 0.00 N ATOM 922 CA VAL A 61 25.657 10.585 -18.938 1.00 0.00 C ATOM 923 C VAL A 61 26.257 9.451 -18.105 1.00 0.00 C ATOM 924 O VAL A 61 27.298 9.623 -17.474 1.00 0.00 O ATOM 925 CB VAL A 61 25.009 11.676 -18.083 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.265 12.688 -18.957 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.077 11.069 -17.033 1.00 0.00 C ATOM 0 H VAL A 61 23.713 10.275 -19.656 1.00 0.00 H new ATOM 0 HA VAL A 61 26.475 11.058 -19.480 1.00 0.00 H new ATOM 0 HB VAL A 61 25.804 12.206 -17.559 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.814 13.453 -18.325 1.00 0.00 H new ATOM 0 HG12 VAL A 61 24.966 13.156 -19.648 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.485 12.177 -19.521 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.630 11.866 -16.439 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.290 10.501 -17.530 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.646 10.406 -16.381 1.00 0.00 H new ATOM 937 N GLY A 62 25.575 8.315 -18.131 1.00 0.00 N ATOM 938 CA GLY A 62 26.028 7.152 -17.388 1.00 0.00 C ATOM 939 C GLY A 62 26.153 7.471 -15.895 1.00 0.00 C ATOM 940 O GLY A 62 27.233 7.816 -15.419 1.00 0.00 O ATOM 0 H GLY A 62 24.711 8.176 -18.656 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.328 6.329 -17.531 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.992 6.821 -17.775 1.00 0.00 H new ATOM 944 N HIS A 63 25.032 7.344 -15.200 1.00 0.00 N ATOM 945 CA HIS A 63 25.003 7.614 -13.773 1.00 0.00 C ATOM 946 C HIS A 63 25.777 6.523 -13.028 1.00 0.00 C ATOM 947 O HIS A 63 25.685 5.346 -13.372 1.00 0.00 O ATOM 948 CB HIS A 63 23.563 7.762 -13.278 1.00 0.00 C ATOM 949 CG HIS A 63 22.940 9.100 -13.592 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.687 9.524 -14.886 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.521 10.104 -12.770 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.141 10.730 -14.831 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.040 11.088 -13.519 1.00 0.00 N ATOM 0 H HIS A 63 24.138 7.058 -15.599 1.00 0.00 H new ATOM 0 HA HIS A 63 25.496 8.564 -13.569 1.00 0.00 H new ATOM 0 HB2 HIS A 63 22.954 6.976 -13.724 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.543 7.608 -12.199 1.00 0.00 H new ATOM 0 HD1 HIS A 63 22.887 8.998 -15.736 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.572 10.099 -11.691 1.00 0.00 H new ATOM 0 HE1 HIS A 63 21.830 11.325 -15.677 1.00 0.00 H new ATOM 961 N SER A 64 26.522 6.955 -12.022 1.00 0.00 N ATOM 962 CA SER A 64 27.311 6.030 -11.226 1.00 0.00 C ATOM 963 C SER A 64 26.421 5.336 -10.194 1.00 0.00 C ATOM 964 O SER A 64 25.268 5.721 -10.005 1.00 0.00 O ATOM 965 CB SER A 64 28.468 6.752 -10.529 1.00 0.00 C ATOM 966 OG SER A 64 29.540 7.032 -11.426 1.00 0.00 O ATOM 0 H SER A 64 26.596 7.932 -11.740 1.00 0.00 H new ATOM 0 HA SER A 64 27.735 5.280 -11.894 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.105 7.684 -10.095 1.00 0.00 H new ATOM 0 HB3 SER A 64 28.835 6.139 -9.706 1.00 0.00 H new ATOM 0 HG SER A 64 30.257 7.494 -10.944 1.00 0.00 H new ATOM 972 N THR A 65 26.989 4.325 -9.553 1.00 0.00 N ATOM 973 CA THR A 65 26.261 3.573 -8.546 1.00 0.00 C ATOM 974 C THR A 65 25.650 4.520 -7.511 1.00 0.00 C ATOM 975 O THR A 65 24.485 4.378 -7.145 1.00 0.00 O ATOM 976 CB THR A 65 27.219 2.546 -7.938 1.00 0.00 C ATOM 977 OG1 THR A 65 27.005 1.370 -8.714 1.00 0.00 O ATOM 978 CG2 THR A 65 26.815 2.135 -6.520 1.00 0.00 C ATOM 0 H THR A 65 27.946 4.009 -9.712 1.00 0.00 H new ATOM 0 HA THR A 65 25.421 3.035 -8.985 1.00 0.00 H new ATOM 0 HB THR A 65 28.229 2.956 -7.923 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.588 0.653 -8.389 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.528 1.405 -6.136 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.811 3.013 -5.874 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.819 1.694 -6.539 1.00 0.00 H new ATOM 986 N ASP A 66 26.466 5.467 -7.068 1.00 0.00 N ATOM 987 CA ASP A 66 26.020 6.437 -6.083 1.00 0.00 C ATOM 988 C ASP A 66 24.602 6.895 -6.429 1.00 0.00 C ATOM 989 O ASP A 66 23.761 7.046 -5.544 1.00 0.00 O ATOM 990 CB ASP A 66 26.927 7.670 -6.076 1.00 0.00 C ATOM 991 CG ASP A 66 28.426 7.371 -6.014 1.00 0.00 C ATOM 992 OD1 ASP A 66 28.761 6.218 -5.666 1.00 0.00 O ATOM 993 OD2 ASP A 66 29.203 8.301 -6.319 1.00 0.00 O ATOM 0 H ASP A 66 27.432 5.582 -7.373 1.00 0.00 H new ATOM 0 HA ASP A 66 26.050 5.961 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 66 26.726 8.255 -6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.661 8.293 -5.222 1.00 0.00 H new ATOM 998 N ALA A 67 24.380 7.104 -7.719 1.00 0.00 N ATOM 999 CA ALA A 67 23.078 7.541 -8.193 1.00 0.00 C ATOM 1000 C ALA A 67 22.061 6.418 -7.985 1.00 0.00 C ATOM 1001 O ALA A 67 20.956 6.658 -7.502 1.00 0.00 O ATOM 1002 CB ALA A 67 23.186 7.967 -9.659 1.00 0.00 C ATOM 0 H ALA A 67 25.080 6.979 -8.450 1.00 0.00 H new ATOM 0 HA ALA A 67 22.733 8.406 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.210 8.295 -10.015 1.00 0.00 H new ATOM 0 HB2 ALA A 67 23.899 8.787 -9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.527 7.123 -10.259 1.00 0.00 H new ATOM 1008 N ARG A 68 22.470 5.215 -8.361 1.00 0.00 N ATOM 1009 CA ARG A 68 21.608 4.054 -8.222 1.00 0.00 C ATOM 1010 C ARG A 68 20.860 4.104 -6.888 1.00 0.00 C ATOM 1011 O ARG A 68 19.654 3.867 -6.839 1.00 0.00 O ATOM 1012 CB ARG A 68 22.415 2.757 -8.298 1.00 0.00 C ATOM 1013 CG ARG A 68 21.802 1.787 -9.311 1.00 0.00 C ATOM 1014 CD ARG A 68 22.273 2.106 -10.730 1.00 0.00 C ATOM 1015 NE ARG A 68 21.107 2.287 -11.623 1.00 0.00 N ATOM 1016 CZ ARG A 68 21.165 2.213 -12.959 1.00 0.00 C ATOM 1017 NH1 ARG A 68 22.332 1.960 -13.567 1.00 0.00 N ATOM 1018 NH2 ARG A 68 20.056 2.392 -13.690 1.00 0.00 N ATOM 0 H ARG A 68 23.387 5.019 -8.762 1.00 0.00 H new ATOM 0 HA ARG A 68 20.893 4.072 -9.044 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.444 2.981 -8.580 1.00 0.00 H new ATOM 0 HB3 ARG A 68 22.449 2.288 -7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 68 22.078 0.764 -9.054 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.715 1.845 -9.263 1.00 0.00 H new ATOM 0 HD2 ARG A 68 22.881 3.010 -10.725 1.00 0.00 H new ATOM 0 HD3 ARG A 68 22.904 1.299 -11.102 1.00 0.00 H new ATOM 0 HE ARG A 68 20.202 2.480 -11.194 1.00 0.00 H new ATOM 0 HH11 ARG A 68 23.177 1.824 -13.012 1.00 0.00 H new ATOM 0 HH12 ARG A 68 22.375 1.904 -14.585 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.167 2.585 -13.229 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.101 2.335 -14.707 1.00 0.00 H new ATOM 1032 N GLU A 69 21.608 4.414 -5.839 1.00 0.00 N ATOM 1033 CA GLU A 69 21.031 4.499 -4.509 1.00 0.00 C ATOM 1034 C GLU A 69 20.032 5.657 -4.435 1.00 0.00 C ATOM 1035 O GLU A 69 18.874 5.460 -4.071 1.00 0.00 O ATOM 1036 CB GLU A 69 22.121 4.647 -3.446 1.00 0.00 C ATOM 1037 CG GLU A 69 22.403 3.311 -2.759 1.00 0.00 C ATOM 1038 CD GLU A 69 23.330 3.497 -1.555 1.00 0.00 C ATOM 1039 OE1 GLU A 69 24.225 4.364 -1.657 1.00 0.00 O ATOM 1040 OE2 GLU A 69 23.122 2.768 -0.561 1.00 0.00 O ATOM 0 H GLU A 69 22.608 4.609 -5.884 1.00 0.00 H new ATOM 0 HA GLU A 69 20.497 3.571 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.035 5.023 -3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.812 5.383 -2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.465 2.860 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.859 2.622 -3.470 1.00 0.00 H new ATOM 1047 N LEU A 70 20.518 6.838 -4.788 1.00 0.00 N ATOM 1048 CA LEU A 70 19.684 8.027 -4.765 1.00 0.00 C ATOM 1049 C LEU A 70 18.431 7.781 -5.611 1.00 0.00 C ATOM 1050 O LEU A 70 17.324 7.717 -5.080 1.00 0.00 O ATOM 1051 CB LEU A 70 20.488 9.254 -5.201 1.00 0.00 C ATOM 1052 CG LEU A 70 21.301 9.946 -4.106 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.745 8.945 -3.037 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.486 10.708 -4.702 1.00 0.00 C ATOM 0 H LEU A 70 21.479 6.997 -5.091 1.00 0.00 H new ATOM 0 HA LEU A 70 19.349 8.238 -3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.169 8.953 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.799 9.982 -5.629 1.00 0.00 H new ATOM 0 HG LEU A 70 20.659 10.678 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.321 9.463 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 70 20.868 8.485 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.363 8.173 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.047 11.191 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.136 10.012 -5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.120 11.464 -5.396 1.00 0.00 H new ATOM 1066 N SER A 71 18.649 7.649 -6.910 1.00 0.00 N ATOM 1067 CA SER A 71 17.552 7.411 -7.833 1.00 0.00 C ATOM 1068 C SER A 71 16.437 6.636 -7.130 1.00 0.00 C ATOM 1069 O SER A 71 15.304 7.109 -7.046 1.00 0.00 O ATOM 1070 CB SER A 71 18.030 6.652 -9.072 1.00 0.00 C ATOM 1071 OG SER A 71 19.026 7.373 -9.790 1.00 0.00 O ATOM 0 H SER A 71 19.569 7.702 -7.346 1.00 0.00 H new ATOM 0 HA SER A 71 17.163 8.375 -8.160 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.430 5.684 -8.772 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.181 6.457 -9.727 1.00 0.00 H new ATOM 0 HG SER A 71 19.869 7.350 -9.292 1.00 0.00 H new ATOM 1077 N LYS A 72 16.795 5.457 -6.643 1.00 0.00 N ATOM 1078 CA LYS A 72 15.838 4.611 -5.951 1.00 0.00 C ATOM 1079 C LYS A 72 15.244 5.381 -4.770 1.00 0.00 C ATOM 1080 O LYS A 72 14.028 5.541 -4.679 1.00 0.00 O ATOM 1081 CB LYS A 72 16.486 3.282 -5.555 1.00 0.00 C ATOM 1082 CG LYS A 72 15.897 2.123 -6.361 1.00 0.00 C ATOM 1083 CD LYS A 72 15.675 0.896 -5.475 1.00 0.00 C ATOM 1084 CE LYS A 72 15.593 -0.381 -6.315 1.00 0.00 C ATOM 1085 NZ LYS A 72 16.654 -1.332 -5.917 1.00 0.00 N ATOM 0 H LYS A 72 17.735 5.068 -6.714 1.00 0.00 H new ATOM 0 HA LYS A 72 15.011 4.352 -6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.562 3.335 -5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.335 3.103 -4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.951 2.430 -6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.568 1.867 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.490 0.810 -4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.756 1.018 -4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.615 -0.845 -6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.695 -0.135 -7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.584 -2.193 -6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.586 -0.893 -6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.539 -1.580 -4.914 1.00 0.00 H new ATOM 1099 N THR A 73 16.129 5.836 -3.896 1.00 0.00 N ATOM 1100 CA THR A 73 15.707 6.587 -2.726 1.00 0.00 C ATOM 1101 C THR A 73 14.793 7.743 -3.134 1.00 0.00 C ATOM 1102 O THR A 73 13.894 8.124 -2.385 1.00 0.00 O ATOM 1103 CB THR A 73 16.962 7.039 -1.976 1.00 0.00 C ATOM 1104 OG1 THR A 73 17.001 6.199 -0.826 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.825 8.451 -1.402 1.00 0.00 C ATOM 0 H THR A 73 17.137 5.699 -3.974 1.00 0.00 H new ATOM 0 HA THR A 73 15.114 5.969 -2.053 1.00 0.00 H new ATOM 0 HB THR A 73 17.819 7.002 -2.648 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.786 6.423 -0.284 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.743 8.722 -0.880 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.646 9.157 -2.213 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.988 8.480 -0.704 1.00 0.00 H new ATOM 1113 N TYR A 74 15.054 8.271 -4.321 1.00 0.00 N ATOM 1114 CA TYR A 74 14.266 9.376 -4.838 1.00 0.00 C ATOM 1115 C TYR A 74 13.221 8.883 -5.843 1.00 0.00 C ATOM 1116 O TYR A 74 12.960 9.545 -6.845 1.00 0.00 O ATOM 1117 CB TYR A 74 15.252 10.298 -5.557 1.00 0.00 C ATOM 1118 CG TYR A 74 16.062 11.196 -4.620 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.245 10.738 -4.076 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.609 12.465 -4.318 1.00 0.00 C ATOM 1121 CE1 TYR A 74 18.007 11.584 -3.193 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.370 13.309 -3.435 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.531 12.828 -2.917 1.00 0.00 C ATOM 1124 OH TYR A 74 18.252 13.626 -2.084 1.00 0.00 O ATOM 0 H TYR A 74 15.801 7.954 -4.939 1.00 0.00 H new ATOM 0 HA TYR A 74 13.736 9.880 -4.029 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.940 9.690 -6.145 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.702 10.925 -6.258 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.599 9.746 -4.312 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.684 12.824 -4.744 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.934 11.239 -2.760 1.00 0.00 H new ATOM 0 HE2 TYR A 74 16.026 14.303 -3.189 1.00 0.00 H new ATOM 0 HH TYR A 74 17.794 14.486 -1.977 1.00 0.00 H new ATOM 1134 N ILE A 75 12.653 7.726 -5.536 1.00 0.00 N ATOM 1135 CA ILE A 75 11.645 7.136 -6.400 1.00 0.00 C ATOM 1136 C ILE A 75 10.308 7.090 -5.657 1.00 0.00 C ATOM 1137 O ILE A 75 10.266 6.790 -4.465 1.00 0.00 O ATOM 1138 CB ILE A 75 12.110 5.773 -6.915 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.858 5.640 -8.418 1.00 0.00 C ATOM 1140 CG2 ILE A 75 11.461 4.637 -6.122 1.00 0.00 C ATOM 1141 CD1 ILE A 75 10.379 5.850 -8.748 1.00 0.00 C ATOM 0 H ILE A 75 12.872 7.182 -4.701 1.00 0.00 H new ATOM 0 HA ILE A 75 11.497 7.751 -7.288 1.00 0.00 H new ATOM 0 HB ILE A 75 13.187 5.699 -6.761 1.00 0.00 H new ATOM 0 HG12 ILE A 75 12.462 6.370 -8.957 1.00 0.00 H new ATOM 0 HG13 ILE A 75 12.173 4.653 -8.757 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.808 3.679 -6.508 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.734 4.725 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.377 4.697 -6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.228 5.750 -9.823 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.780 5.103 -8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.073 6.847 -8.430 1.00 0.00 H new ATOM 1153 N ILE A 76 9.248 7.392 -6.392 1.00 0.00 N ATOM 1154 CA ILE A 76 7.913 7.388 -5.817 1.00 0.00 C ATOM 1155 C ILE A 76 7.028 6.416 -6.600 1.00 0.00 C ATOM 1156 O ILE A 76 6.200 5.718 -6.017 1.00 0.00 O ATOM 1157 CB ILE A 76 7.355 8.811 -5.750 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.774 9.236 -7.101 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.415 9.793 -5.249 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.872 9.749 -8.034 1.00 0.00 C ATOM 0 H ILE A 76 9.286 7.641 -7.380 1.00 0.00 H new ATOM 0 HA ILE A 76 7.942 7.033 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 76 6.538 8.823 -5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.265 8.391 -7.564 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.027 10.015 -6.950 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.992 10.797 -5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.741 9.499 -4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.268 9.784 -5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.432 10.044 -8.986 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.363 10.609 -7.579 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.605 8.960 -8.202 1.00 0.00 H new ATOM 1172 N GLY A 77 7.234 6.401 -7.910 1.00 0.00 N ATOM 1173 CA GLY A 77 6.466 5.526 -8.778 1.00 0.00 C ATOM 1174 C GLY A 77 6.843 5.739 -10.245 1.00 0.00 C ATOM 1175 O GLY A 77 7.932 6.230 -10.544 1.00 0.00 O ATOM 0 H GLY A 77 7.922 6.981 -8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.643 4.487 -8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.401 5.716 -8.641 1.00 0.00 H new ATOM 1179 N GLU A 78 5.924 5.361 -11.121 1.00 0.00 N ATOM 1180 CA GLU A 78 6.148 5.505 -12.549 1.00 0.00 C ATOM 1181 C GLU A 78 4.992 6.276 -13.193 1.00 0.00 C ATOM 1182 O GLU A 78 3.958 6.490 -12.562 1.00 0.00 O ATOM 1183 CB GLU A 78 6.335 4.141 -13.215 1.00 0.00 C ATOM 1184 CG GLU A 78 5.090 3.269 -13.040 1.00 0.00 C ATOM 1185 CD GLU A 78 4.881 2.360 -14.252 1.00 0.00 C ATOM 1186 OE1 GLU A 78 4.355 2.873 -15.263 1.00 0.00 O ATOM 1187 OE2 GLU A 78 5.255 1.172 -14.140 1.00 0.00 O ATOM 0 H GLU A 78 5.023 4.955 -10.869 1.00 0.00 H new ATOM 0 HA GLU A 78 7.066 6.074 -12.697 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.542 4.276 -14.277 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.200 3.637 -12.783 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.190 2.663 -12.140 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.214 3.903 -12.902 1.00 0.00 H new ATOM 1194 N LEU A 79 5.207 6.670 -14.438 1.00 0.00 N ATOM 1195 CA LEU A 79 4.197 7.411 -15.174 1.00 0.00 C ATOM 1196 C LEU A 79 3.533 6.486 -16.195 1.00 0.00 C ATOM 1197 O LEU A 79 4.183 5.599 -16.748 1.00 0.00 O ATOM 1198 CB LEU A 79 4.802 8.675 -15.790 1.00 0.00 C ATOM 1199 CG LEU A 79 5.090 8.616 -17.292 1.00 0.00 C ATOM 1200 CD1 LEU A 79 5.832 7.329 -17.658 1.00 0.00 C ATOM 1201 CD2 LEU A 79 3.806 8.787 -18.104 1.00 0.00 C ATOM 0 H LEU A 79 6.067 6.490 -14.957 1.00 0.00 H new ATOM 0 HA LEU A 79 3.413 7.757 -14.501 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.124 9.507 -15.602 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.733 8.899 -15.270 1.00 0.00 H new ATOM 0 HG LEU A 79 5.745 9.449 -17.547 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.024 7.312 -18.731 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.779 7.289 -17.119 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.222 6.467 -17.385 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.039 8.741 -19.168 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.107 7.990 -17.851 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.355 9.752 -17.873 1.00 0.00 H new ATOM 1213 N HIS A 80 2.249 6.723 -16.414 1.00 0.00 N ATOM 1214 CA HIS A 80 1.490 5.921 -17.359 1.00 0.00 C ATOM 1215 C HIS A 80 2.374 5.564 -18.556 1.00 0.00 C ATOM 1216 O HIS A 80 2.645 6.410 -19.407 1.00 0.00 O ATOM 1217 CB HIS A 80 0.201 6.638 -17.768 1.00 0.00 C ATOM 1218 CG HIS A 80 -0.920 5.706 -18.165 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.228 6.131 -18.319 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -0.913 4.370 -18.438 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -2.967 5.089 -18.669 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.151 3.998 -18.741 1.00 0.00 N ATOM 0 H HIS A 80 1.714 7.459 -15.953 1.00 0.00 H new ATOM 0 HA HIS A 80 1.184 4.988 -16.886 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.135 7.261 -16.939 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.417 7.306 -18.602 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.048 3.724 -18.412 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.029 5.101 -18.863 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.444 3.052 -18.987 1.00 0.00 H new