USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 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= -2.18 K(o=-1.7,f=-5.6!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.432 K(o=-1.7,f=-5!) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -1.01 K(o=-0.85,f=-2.3!) USER MOD Set 2.2: A 55 THR OG1 : rot 111:sc= 0.155 USER MOD Set 3.1: A 20 SER OG : rot 20:sc= 0.548 USER MOD Set 3.2: A 33 THR OG1 : rot 70:sc= 1.07 USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0838) USER MOD Single : A 6 TYR OH : rot 19:sc= 1.29 USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0.031) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -60:sc= -0.421 USER MOD Single : A 27 HIS : no HD1:sc= 0 K(o=0,f=-1) USER MOD Single : A 28 LYS NZ :NH3+ 136:sc= 0.0078 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.348 K(o=-0.35,f=-3.4!) USER MOD Single : A 57 ASN : amide:sc= -0.0713 X(o=-0.071,f=0) 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 63:sc= 0.55 USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0556) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -104:sc= 1.31 USER MOD Single : A 80 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.990 -8.326 -10.868 1.00 0.00 N ATOM 66 CA LYS A 5 1.638 -8.682 -9.618 1.00 0.00 C ATOM 67 C LYS A 5 0.525 -9.061 -8.636 1.00 0.00 C ATOM 68 O LYS A 5 0.286 -8.405 -7.625 1.00 0.00 O ATOM 69 CB LYS A 5 2.566 -7.549 -9.155 1.00 0.00 C ATOM 70 CG LYS A 5 4.070 -7.770 -9.366 1.00 0.00 C ATOM 71 CD LYS A 5 4.585 -7.274 -10.730 1.00 0.00 C ATOM 72 CE LYS A 5 5.902 -6.500 -10.565 1.00 0.00 C ATOM 73 NZ LYS A 5 6.956 -7.311 -9.920 1.00 0.00 N ATOM 0 HA LYS A 5 2.302 -9.541 -9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.278 -6.637 -9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.392 -7.377 -8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.618 -7.260 -8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.289 -8.834 -9.270 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.737 -8.122 -11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.837 -6.633 -11.196 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.250 -6.168 -11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.722 -5.604 -9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.875 -6.835 -10.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.739 -7.421 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.997 -8.248 -10.369 1.00 0.00 H new ATOM 87 N TYR A 6 -0.212 -10.112 -8.985 1.00 0.00 N ATOM 88 CA TYR A 6 -1.224 -10.667 -8.110 1.00 0.00 C ATOM 89 C TYR A 6 -0.526 -11.321 -6.915 1.00 0.00 C ATOM 90 O TYR A 6 0.201 -12.292 -7.108 1.00 0.00 O ATOM 91 CB TYR A 6 -2.106 -11.640 -8.902 1.00 0.00 C ATOM 92 CG TYR A 6 -3.067 -10.943 -9.850 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.126 -10.181 -9.320 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.886 -10.997 -11.245 1.00 0.00 C ATOM 95 CE1 TYR A 6 -4.949 -9.425 -10.169 1.00 0.00 C ATOM 96 CE2 TYR A 6 -3.714 -10.234 -12.091 1.00 0.00 C ATOM 97 CZ TYR A 6 -4.691 -9.386 -11.547 1.00 0.00 C ATOM 98 OH TYR A 6 -5.333 -8.475 -12.330 1.00 0.00 O ATOM 0 H TYR A 6 -0.121 -10.596 -9.878 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.886 -9.892 -7.722 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.469 -12.315 -9.473 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.676 -12.254 -8.204 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.306 -10.178 -8.255 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.113 -11.623 -11.666 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.782 -8.872 -9.761 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.597 -10.302 -13.162 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.687 -7.753 -11.769 1.00 0.00 H new ATOM 108 N TYR A 7 -0.711 -10.779 -5.707 1.00 0.00 N ATOM 109 CA TYR A 7 -0.082 -11.273 -4.485 1.00 0.00 C ATOM 110 C TYR A 7 -1.133 -11.691 -3.454 1.00 0.00 C ATOM 111 O TYR A 7 -2.208 -11.094 -3.390 1.00 0.00 O ATOM 112 CB TYR A 7 0.823 -10.182 -3.911 1.00 0.00 C ATOM 113 CG TYR A 7 2.067 -9.896 -4.730 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.023 -10.909 -4.924 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.306 -8.611 -5.248 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.193 -10.656 -5.657 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.500 -8.345 -5.945 1.00 0.00 C ATOM 118 CZ TYR A 7 4.418 -9.379 -6.193 1.00 0.00 C ATOM 119 OH TYR A 7 5.538 -9.140 -6.941 1.00 0.00 O ATOM 0 H TYR A 7 -1.313 -9.971 -5.552 1.00 0.00 H new ATOM 0 HA TYR A 7 0.513 -12.154 -4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.246 -9.262 -3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.125 -10.472 -2.905 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.855 -11.890 -4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.574 -7.829 -5.111 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.918 -11.442 -5.808 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.711 -7.343 -6.290 1.00 0.00 H new ATOM 0 HH TYR A 7 5.806 -9.963 -7.401 1.00 0.00 H new ATOM 129 N THR A 8 -0.828 -12.722 -2.659 1.00 0.00 N ATOM 130 CA THR A 8 -1.749 -13.280 -1.670 1.00 0.00 C ATOM 131 C THR A 8 -1.652 -12.522 -0.343 1.00 0.00 C ATOM 132 O THR A 8 -0.643 -11.864 -0.086 1.00 0.00 O ATOM 133 CB THR A 8 -1.450 -14.772 -1.456 1.00 0.00 C ATOM 134 OG1 THR A 8 -0.169 -14.946 -0.878 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.520 -15.573 -2.760 1.00 0.00 C ATOM 0 H THR A 8 0.075 -13.196 -2.686 1.00 0.00 H new ATOM 0 HA THR A 8 -2.766 -13.172 -2.047 1.00 0.00 H new ATOM 0 HB THR A 8 -2.219 -15.149 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.004 -15.902 -0.747 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.301 -16.621 -2.555 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.520 -15.488 -3.186 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.789 -15.181 -3.467 1.00 0.00 H new ATOM 143 N LEU A 9 -2.665 -12.633 0.532 1.00 0.00 N ATOM 144 CA LEU A 9 -2.636 -11.986 1.835 1.00 0.00 C ATOM 145 C LEU A 9 -1.339 -12.298 2.577 1.00 0.00 C ATOM 146 O LEU A 9 -0.608 -11.376 2.920 1.00 0.00 O ATOM 147 CB LEU A 9 -3.830 -12.394 2.706 1.00 0.00 C ATOM 148 CG LEU A 9 -5.221 -11.904 2.274 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.234 -10.429 1.857 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.812 -12.770 1.172 1.00 0.00 C ATOM 0 H LEU A 9 -3.513 -13.169 0.351 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.696 -10.914 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.856 -13.483 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.646 -12.035 3.719 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.850 -11.996 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.244 -10.143 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.911 -9.811 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.556 -10.283 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.795 -12.388 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.157 -12.747 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.908 -13.796 1.527 1.00 0.00 H new ATOM 162 N GLU A 10 -1.047 -13.578 2.835 1.00 0.00 N ATOM 163 CA GLU A 10 0.113 -13.975 3.610 1.00 0.00 C ATOM 164 C GLU A 10 1.397 -13.409 2.988 1.00 0.00 C ATOM 165 O GLU A 10 2.254 -12.870 3.686 1.00 0.00 O ATOM 166 CB GLU A 10 0.154 -15.506 3.711 1.00 0.00 C ATOM 167 CG GLU A 10 0.945 -15.944 4.948 1.00 0.00 C ATOM 168 CD GLU A 10 0.061 -16.126 6.177 1.00 0.00 C ATOM 169 OE1 GLU A 10 -0.701 -17.116 6.172 1.00 0.00 O ATOM 170 OE2 GLU A 10 0.172 -15.287 7.098 1.00 0.00 O ATOM 0 H GLU A 10 -1.614 -14.361 2.508 1.00 0.00 H new ATOM 0 HA GLU A 10 0.040 -13.566 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.861 -15.900 3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.611 -15.923 2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.459 -16.881 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.713 -15.202 5.165 1.00 0.00 H new ATOM 177 N GLU A 11 1.525 -13.506 1.662 1.00 0.00 N ATOM 178 CA GLU A 11 2.662 -12.947 0.948 1.00 0.00 C ATOM 179 C GLU A 11 2.810 -11.459 1.277 1.00 0.00 C ATOM 180 O GLU A 11 3.840 -11.019 1.795 1.00 0.00 O ATOM 181 CB GLU A 11 2.470 -13.223 -0.545 1.00 0.00 C ATOM 182 CG GLU A 11 3.585 -12.659 -1.430 1.00 0.00 C ATOM 183 CD GLU A 11 3.773 -13.534 -2.660 1.00 0.00 C ATOM 184 OE1 GLU A 11 2.730 -14.021 -3.156 1.00 0.00 O ATOM 185 OE2 GLU A 11 4.940 -13.700 -3.071 1.00 0.00 O ATOM 0 H GLU A 11 0.845 -13.972 1.062 1.00 0.00 H new ATOM 0 HA GLU A 11 3.596 -13.416 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.407 -14.300 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.518 -12.799 -0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.339 -11.641 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.516 -12.607 -0.866 1.00 0.00 H new ATOM 192 N ILE A 12 1.756 -10.682 1.031 1.00 0.00 N ATOM 193 CA ILE A 12 1.793 -9.250 1.282 1.00 0.00 C ATOM 194 C ILE A 12 2.051 -8.979 2.773 1.00 0.00 C ATOM 195 O ILE A 12 2.758 -8.040 3.122 1.00 0.00 O ATOM 196 CB ILE A 12 0.516 -8.568 0.767 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.239 -8.896 -0.711 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.664 -7.047 0.914 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.258 -8.803 -1.017 1.00 0.00 C ATOM 0 H ILE A 12 0.870 -11.023 0.659 1.00 0.00 H new ATOM 0 HA ILE A 12 2.622 -8.811 0.726 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.320 -8.941 1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.789 -8.206 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.600 -9.899 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.239 -6.557 0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.815 -6.796 1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.521 -6.707 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.430 -9.039 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.802 -9.512 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.610 -7.792 -0.810 1.00 0.00 H new ATOM 211 N GLN A 13 1.520 -9.831 3.652 1.00 0.00 N ATOM 212 CA GLN A 13 1.698 -9.762 5.096 1.00 0.00 C ATOM 213 C GLN A 13 3.161 -9.963 5.488 1.00 0.00 C ATOM 214 O GLN A 13 3.603 -9.413 6.496 1.00 0.00 O ATOM 215 CB GLN A 13 0.761 -10.764 5.788 1.00 0.00 C ATOM 216 CG GLN A 13 0.673 -10.562 7.308 1.00 0.00 C ATOM 217 CD GLN A 13 1.241 -11.765 8.058 1.00 0.00 C ATOM 218 OE1 GLN A 13 2.451 -11.883 8.239 1.00 0.00 O ATOM 219 NE2 GLN A 13 0.372 -12.682 8.471 1.00 0.00 N ATOM 0 H GLN A 13 0.934 -10.614 3.363 1.00 0.00 H new ATOM 0 HA GLN A 13 1.427 -8.763 5.438 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.237 -10.675 5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.107 -11.777 5.582 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.220 -9.662 7.590 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.366 -10.407 7.598 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.626 -12.551 8.304 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.703 -13.517 8.955 1.00 0.00 H new ATOM 228 N LYS A 14 3.928 -10.724 4.704 1.00 0.00 N ATOM 229 CA LYS A 14 5.361 -10.858 4.923 1.00 0.00 C ATOM 230 C LYS A 14 6.091 -9.625 4.374 1.00 0.00 C ATOM 231 O LYS A 14 7.070 -9.175 4.971 1.00 0.00 O ATOM 232 CB LYS A 14 5.870 -12.187 4.340 1.00 0.00 C ATOM 233 CG LYS A 14 5.217 -13.399 5.029 1.00 0.00 C ATOM 234 CD LYS A 14 5.771 -13.730 6.425 1.00 0.00 C ATOM 235 CE LYS A 14 7.051 -14.581 6.377 1.00 0.00 C ATOM 236 NZ LYS A 14 7.142 -15.486 7.543 1.00 0.00 N ATOM 0 H LYS A 14 3.574 -11.257 3.910 1.00 0.00 H new ATOM 0 HA LYS A 14 5.575 -10.896 5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.660 -12.219 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.953 -12.243 4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.146 -13.216 5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.341 -14.272 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.978 -12.802 6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.009 -14.261 6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.066 -15.167 5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.923 -13.928 6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.016 -16.046 7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.152 -14.924 8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.322 -16.125 7.551 1.00 0.00 H new ATOM 250 N HIS A 15 5.601 -9.042 3.273 1.00 0.00 N ATOM 251 CA HIS A 15 6.111 -7.780 2.737 1.00 0.00 C ATOM 252 C HIS A 15 5.834 -6.590 3.675 1.00 0.00 C ATOM 253 O HIS A 15 4.978 -5.745 3.418 1.00 0.00 O ATOM 254 CB HIS A 15 5.552 -7.533 1.330 1.00 0.00 C ATOM 255 CG HIS A 15 6.346 -8.201 0.243 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.507 -7.706 -0.307 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.038 -9.367 -0.405 1.00 0.00 C ATOM 258 CE1 HIS A 15 7.900 -8.568 -1.257 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.040 -9.596 -1.355 1.00 0.00 N ATOM 0 H HIS A 15 4.835 -9.437 2.728 1.00 0.00 H new ATOM 0 HA HIS A 15 7.195 -7.866 2.666 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.523 -7.890 1.289 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.525 -6.460 1.142 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.179 -9.995 -0.218 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.788 -8.451 -1.861 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.105 -10.387 -1.995 1.00 0.00 H new ATOM 267 N LYS A 16 6.627 -6.485 4.741 1.00 0.00 N ATOM 268 CA LYS A 16 6.642 -5.345 5.652 1.00 0.00 C ATOM 269 C LYS A 16 8.021 -5.240 6.308 1.00 0.00 C ATOM 270 O LYS A 16 8.124 -5.129 7.531 1.00 0.00 O ATOM 271 CB LYS A 16 5.536 -5.511 6.707 1.00 0.00 C ATOM 272 CG LYS A 16 5.637 -6.898 7.356 1.00 0.00 C ATOM 273 CD LYS A 16 5.080 -6.957 8.787 1.00 0.00 C ATOM 274 CE LYS A 16 6.165 -7.433 9.770 1.00 0.00 C ATOM 275 NZ LYS A 16 5.580 -8.054 10.974 1.00 0.00 N ATOM 0 H LYS A 16 7.294 -7.212 5.000 1.00 0.00 H new ATOM 0 HA LYS A 16 6.450 -4.424 5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.628 -4.736 7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.557 -5.387 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.101 -7.618 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.682 -7.207 7.370 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.719 -5.972 9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.226 -7.634 8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.817 -8.150 9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.786 -6.587 10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.342 -8.361 11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.977 -7.362 11.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.008 -8.877 10.697 1.00 0.00 H new ATOM 334 N SER A 20 11.423 -2.203 2.845 1.00 0.00 N ATOM 335 CA SER A 20 10.455 -2.415 1.784 1.00 0.00 C ATOM 336 C SER A 20 9.043 -2.477 2.369 1.00 0.00 C ATOM 337 O SER A 20 8.586 -3.537 2.798 1.00 0.00 O ATOM 338 CB SER A 20 10.825 -3.653 0.957 1.00 0.00 C ATOM 339 OG SER A 20 10.202 -3.603 -0.315 1.00 0.00 O ATOM 0 HA SER A 20 10.473 -1.572 1.094 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.907 -3.708 0.837 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.517 -4.556 1.484 1.00 0.00 H new ATOM 0 HG SER A 20 9.945 -2.679 -0.517 1.00 0.00 H new ATOM 345 N THR A 21 8.372 -1.322 2.418 1.00 0.00 N ATOM 346 CA THR A 21 7.038 -1.172 2.950 1.00 0.00 C ATOM 347 C THR A 21 6.024 -1.251 1.814 1.00 0.00 C ATOM 348 O THR A 21 5.992 -0.395 0.924 1.00 0.00 O ATOM 349 CB THR A 21 6.969 0.173 3.661 1.00 0.00 C ATOM 350 OG1 THR A 21 7.945 0.179 4.681 1.00 0.00 O ATOM 351 CG2 THR A 21 5.590 0.367 4.282 1.00 0.00 C ATOM 0 H THR A 21 8.765 -0.446 2.075 1.00 0.00 H new ATOM 0 HA THR A 21 6.804 -1.968 3.657 1.00 0.00 H new ATOM 0 HB THR A 21 7.149 0.979 2.950 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.761 -0.546 5.314 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.551 1.332 4.788 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.831 0.337 3.500 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.400 -0.428 5.003 1.00 0.00 H new ATOM 359 N TRP A 22 5.184 -2.281 1.869 1.00 0.00 N ATOM 360 CA TRP A 22 4.063 -2.478 0.972 1.00 0.00 C ATOM 361 C TRP A 22 2.775 -2.211 1.740 1.00 0.00 C ATOM 362 O TRP A 22 2.776 -2.222 2.970 1.00 0.00 O ATOM 363 CB TRP A 22 4.104 -3.906 0.456 1.00 0.00 C ATOM 364 CG TRP A 22 5.147 -4.199 -0.579 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.265 -3.492 -0.864 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.119 -5.286 -1.537 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.893 -4.043 -1.958 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.252 -5.182 -2.390 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.211 -6.331 -1.783 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.488 -6.088 -3.430 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.452 -7.270 -2.800 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.592 -7.154 -3.617 1.00 0.00 C ATOM 0 H TRP A 22 5.273 -3.022 2.564 1.00 0.00 H new ATOM 0 HA TRP A 22 4.112 -1.796 0.123 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.263 -4.573 1.303 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.127 -4.149 0.038 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.612 -2.628 -0.317 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.730 -3.655 -2.394 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.317 -6.413 -1.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.344 -5.970 -4.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.760 -8.084 -2.955 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.778 -7.886 -4.389 1.00 0.00 H new ATOM 383 N VAL A 23 1.680 -1.992 1.018 1.00 0.00 N ATOM 384 CA VAL A 23 0.344 -1.816 1.570 1.00 0.00 C ATOM 385 C VAL A 23 -0.651 -2.230 0.490 1.00 0.00 C ATOM 386 O VAL A 23 -0.315 -2.193 -0.697 1.00 0.00 O ATOM 387 CB VAL A 23 0.089 -0.350 1.974 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.527 -0.027 3.406 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.752 0.633 1.005 1.00 0.00 C ATOM 0 H VAL A 23 1.701 -1.930 0.000 1.00 0.00 H new ATOM 0 HA VAL A 23 0.235 -2.424 2.468 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.993 -0.230 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.318 1.021 3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.021 -0.658 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.596 -0.213 3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.548 1.654 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.829 0.464 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.352 0.481 0.002 1.00 0.00 H new ATOM 399 N ILE A 24 -1.870 -2.599 0.898 1.00 0.00 N ATOM 400 CA ILE A 24 -2.967 -2.877 -0.013 1.00 0.00 C ATOM 401 C ILE A 24 -4.083 -1.853 0.185 1.00 0.00 C ATOM 402 O ILE A 24 -4.640 -1.758 1.278 1.00 0.00 O ATOM 403 CB ILE A 24 -3.465 -4.320 0.145 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.717 -4.710 1.603 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.458 -5.301 -0.444 1.00 0.00 C ATOM 406 CD1 ILE A 24 -4.912 -5.644 1.739 1.00 0.00 C ATOM 0 H ILE A 24 -2.117 -2.712 1.881 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.609 -2.783 -1.038 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.413 -4.368 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.829 -5.194 2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.889 -3.811 2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.828 -6.319 -0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.321 -5.089 -1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.504 -5.198 0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.058 -5.898 2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.805 -5.150 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.729 -6.554 1.168 1.00 0.00 H new ATOM 418 N LEU A 25 -4.391 -1.065 -0.852 1.00 0.00 N ATOM 419 CA LEU A 25 -5.431 -0.047 -0.780 1.00 0.00 C ATOM 420 C LEU A 25 -6.512 -0.356 -1.824 1.00 0.00 C ATOM 421 O LEU A 25 -6.259 -0.245 -3.019 1.00 0.00 O ATOM 422 CB LEU A 25 -4.863 1.376 -0.917 1.00 0.00 C ATOM 423 CG LEU A 25 -3.554 1.641 -0.149 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.191 3.113 -0.310 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.626 1.385 1.357 1.00 0.00 C ATOM 0 H LEU A 25 -3.925 -1.119 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.888 -0.077 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.692 1.581 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.616 2.085 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.825 0.948 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.266 3.320 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.055 3.341 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.992 3.732 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.658 1.599 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.384 2.031 1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.888 0.342 1.537 1.00 0.00 H new ATOM 437 N HIS A 26 -7.711 -0.770 -1.400 1.00 0.00 N ATOM 438 CA HIS A 26 -8.809 -1.129 -2.301 1.00 0.00 C ATOM 439 C HIS A 26 -8.388 -2.221 -3.294 1.00 0.00 C ATOM 440 O HIS A 26 -8.414 -2.008 -4.508 1.00 0.00 O ATOM 441 CB HIS A 26 -9.374 0.108 -3.026 1.00 0.00 C ATOM 442 CG HIS A 26 -10.145 1.039 -2.132 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.511 1.231 -2.150 1.00 0.00 N ATOM 444 CD2 HIS A 26 -9.622 1.846 -1.160 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.802 2.133 -1.198 1.00 0.00 C ATOM 446 NE2 HIS A 26 -10.685 2.526 -0.569 1.00 0.00 N ATOM 0 H HIS A 26 -7.948 -0.866 -0.412 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.611 -1.539 -1.688 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.550 0.657 -3.482 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.024 -0.223 -3.836 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -12.177 0.773 -2.772 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.578 1.939 -0.899 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.795 2.491 -0.971 1.00 0.00 H new ATOM 454 N HIS A 27 -8.035 -3.396 -2.756 1.00 0.00 N ATOM 455 CA HIS A 27 -7.669 -4.600 -3.504 1.00 0.00 C ATOM 456 C HIS A 27 -6.594 -4.329 -4.558 1.00 0.00 C ATOM 457 O HIS A 27 -6.671 -4.828 -5.679 1.00 0.00 O ATOM 458 CB HIS A 27 -8.915 -5.262 -4.112 1.00 0.00 C ATOM 459 CG HIS A 27 -9.857 -5.814 -3.077 1.00 0.00 C ATOM 460 ND1 HIS A 27 -9.510 -6.644 -2.036 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.208 -5.603 -3.006 1.00 0.00 C ATOM 462 CE1 HIS A 27 -10.623 -6.902 -1.335 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.687 -6.302 -1.895 1.00 0.00 N ATOM 0 H HIS A 27 -7.996 -3.536 -1.746 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.227 -5.301 -2.796 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.445 -4.532 -4.724 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.603 -6.068 -4.777 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.797 -5.005 -3.686 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.660 -7.509 -0.442 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.654 -6.348 -1.573 1.00 0.00 H new ATOM 471 N LYS A 28 -5.577 -3.558 -4.185 1.00 0.00 N ATOM 472 CA LYS A 28 -4.515 -3.136 -5.076 1.00 0.00 C ATOM 473 C LYS A 28 -3.267 -2.955 -4.229 1.00 0.00 C ATOM 474 O LYS A 28 -3.348 -2.284 -3.201 1.00 0.00 O ATOM 475 CB LYS A 28 -4.941 -1.841 -5.766 1.00 0.00 C ATOM 476 CG LYS A 28 -5.314 -2.104 -7.229 1.00 0.00 C ATOM 477 CD LYS A 28 -6.163 -0.936 -7.744 1.00 0.00 C ATOM 478 CE LYS A 28 -7.650 -1.307 -7.635 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.478 -0.191 -7.146 1.00 0.00 N ATOM 0 H LYS A 28 -5.471 -3.205 -3.234 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.309 -3.868 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.792 -1.406 -5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.131 -1.114 -5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.414 -2.211 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.868 -3.039 -7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.957 -0.037 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.906 -0.713 -8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.014 -1.624 -8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.760 -2.158 -6.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.346 -0.127 -7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.728 -0.355 -6.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.945 0.698 -7.227 1.00 0.00 H new ATOM 493 N VAL A 29 -2.156 -3.586 -4.622 1.00 0.00 N ATOM 494 CA VAL A 29 -0.933 -3.589 -3.836 1.00 0.00 C ATOM 495 C VAL A 29 -0.025 -2.476 -4.347 1.00 0.00 C ATOM 496 O VAL A 29 0.244 -2.383 -5.550 1.00 0.00 O ATOM 497 CB VAL A 29 -0.250 -4.972 -3.817 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.787 -5.013 -2.681 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.269 -6.102 -3.639 1.00 0.00 C ATOM 0 H VAL A 29 -2.086 -4.108 -5.496 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.171 -3.390 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 29 0.244 -5.123 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.271 -5.989 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.537 -4.239 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.289 -4.840 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.751 -7.061 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.800 -5.968 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.982 -6.082 -4.463 1.00 0.00 H new ATOM 509 N TYR A 30 0.415 -1.622 -3.422 1.00 0.00 N ATOM 510 CA TYR A 30 1.267 -0.480 -3.689 1.00 0.00 C ATOM 511 C TYR A 30 2.600 -0.705 -2.994 1.00 0.00 C ATOM 512 O TYR A 30 2.618 -1.127 -1.834 1.00 0.00 O ATOM 513 CB TYR A 30 0.592 0.799 -3.187 1.00 0.00 C ATOM 514 CG TYR A 30 -0.735 1.083 -3.853 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.762 1.774 -5.071 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.924 0.550 -3.328 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.977 1.948 -5.757 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.138 0.754 -4.003 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.171 1.481 -5.199 1.00 0.00 C ATOM 520 OH TYR A 30 -4.351 1.707 -5.844 1.00 0.00 O ATOM 0 H TYR A 30 0.176 -1.716 -2.435 1.00 0.00 H new ATOM 0 HA TYR A 30 1.435 -0.369 -4.760 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.440 0.721 -2.110 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.261 1.643 -3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.152 2.174 -5.484 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.904 -0.015 -2.408 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.988 2.443 -6.717 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.052 0.347 -3.597 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.087 1.318 -5.326 1.00 0.00 H new ATOM 530 N ASP A 31 3.696 -0.421 -3.704 1.00 0.00 N ATOM 531 CA ASP A 31 5.028 -0.415 -3.124 1.00 0.00 C ATOM 532 C ASP A 31 5.359 1.029 -2.795 1.00 0.00 C ATOM 533 O ASP A 31 5.462 1.858 -3.699 1.00 0.00 O ATOM 534 CB ASP A 31 6.061 -1.000 -4.090 1.00 0.00 C ATOM 535 CG ASP A 31 7.414 -1.142 -3.415 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.811 -0.184 -2.721 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.020 -2.229 -3.528 1.00 0.00 O ATOM 0 H ASP A 31 3.677 -0.190 -4.697 1.00 0.00 H new ATOM 0 HA ASP A 31 5.054 -1.037 -2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.723 -1.974 -4.445 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.152 -0.356 -4.965 1.00 0.00 H new ATOM 542 N LEU A 32 5.497 1.335 -1.504 1.00 0.00 N ATOM 543 CA LEU A 32 5.836 2.675 -1.064 1.00 0.00 C ATOM 544 C LEU A 32 7.256 2.704 -0.496 1.00 0.00 C ATOM 545 O LEU A 32 7.605 3.639 0.221 1.00 0.00 O ATOM 546 CB LEU A 32 4.798 3.140 -0.043 1.00 0.00 C ATOM 547 CG LEU A 32 3.348 3.053 -0.553 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.474 3.749 0.474 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.089 3.692 -1.920 1.00 0.00 C ATOM 0 H LEU A 32 5.377 0.663 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 32 5.818 3.364 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.893 2.537 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.014 4.171 0.238 1.00 0.00 H new ATOM 0 HG LEU A 32 3.125 1.994 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.433 3.711 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.574 3.248 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.786 4.789 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.038 3.574 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.336 4.753 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.708 3.204 -2.673 1.00 0.00 H new ATOM 561 N THR A 33 8.097 1.723 -0.842 1.00 0.00 N ATOM 562 CA THR A 33 9.471 1.609 -0.372 1.00 0.00 C ATOM 563 C THR A 33 10.220 2.926 -0.579 1.00 0.00 C ATOM 564 O THR A 33 10.799 3.475 0.355 1.00 0.00 O ATOM 565 CB THR A 33 10.157 0.437 -1.096 1.00 0.00 C ATOM 566 OG1 THR A 33 9.472 -0.769 -0.824 1.00 0.00 O ATOM 567 CG2 THR A 33 11.622 0.277 -0.691 1.00 0.00 C ATOM 0 H THR A 33 7.828 0.969 -1.474 1.00 0.00 H new ATOM 0 HA THR A 33 9.480 1.404 0.698 1.00 0.00 H new ATOM 0 HB THR A 33 10.125 0.663 -2.162 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.597 -0.755 -1.266 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.059 -0.563 -1.230 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.168 1.188 -0.935 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.685 0.092 0.381 1.00 0.00 H new ATOM 575 N LYS A 34 10.180 3.453 -1.804 1.00 0.00 N ATOM 576 CA LYS A 34 10.807 4.724 -2.146 1.00 0.00 C ATOM 577 C LYS A 34 9.841 5.899 -2.011 1.00 0.00 C ATOM 578 O LYS A 34 10.073 6.956 -2.591 1.00 0.00 O ATOM 579 CB LYS A 34 11.397 4.620 -3.556 1.00 0.00 C ATOM 580 CG LYS A 34 12.650 3.729 -3.529 1.00 0.00 C ATOM 581 CD LYS A 34 13.784 4.409 -4.313 1.00 0.00 C ATOM 582 CE LYS A 34 15.172 3.868 -3.935 1.00 0.00 C ATOM 583 NZ LYS A 34 16.163 4.961 -3.835 1.00 0.00 N ATOM 0 H LYS A 34 9.708 3.005 -2.589 1.00 0.00 H new ATOM 0 HA LYS A 34 11.610 4.926 -1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.658 4.204 -4.240 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.652 5.612 -3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.961 3.553 -2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.426 2.756 -3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.620 4.264 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.754 5.483 -4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.112 3.339 -2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.499 3.144 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.090 4.566 -3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.235 5.449 -4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.861 5.638 -3.105 1.00 0.00 H new ATOM 597 N PHE A 35 8.774 5.728 -1.232 1.00 0.00 N ATOM 598 CA PHE A 35 7.799 6.769 -0.971 1.00 0.00 C ATOM 599 C PHE A 35 7.640 7.021 0.528 1.00 0.00 C ATOM 600 O PHE A 35 6.935 7.944 0.908 1.00 0.00 O ATOM 601 CB PHE A 35 6.483 6.376 -1.637 1.00 0.00 C ATOM 602 CG PHE A 35 5.395 7.421 -1.578 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.604 8.702 -2.119 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.180 7.123 -0.944 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.577 9.658 -2.080 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.139 8.057 -0.946 1.00 0.00 C ATOM 607 CZ PHE A 35 3.343 9.335 -1.491 1.00 0.00 C ATOM 0 H PHE A 35 8.566 4.848 -0.761 1.00 0.00 H new ATOM 0 HA PHE A 35 8.141 7.713 -1.395 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.680 6.139 -2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.115 5.464 -1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.556 8.951 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.048 6.170 -0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.735 10.640 -2.502 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.178 7.795 -0.528 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.552 10.069 -1.457 1.00 0.00 H new ATOM 617 N LEU A 36 8.305 6.242 1.388 1.00 0.00 N ATOM 618 CA LEU A 36 8.202 6.393 2.826 1.00 0.00 C ATOM 619 C LEU A 36 8.445 7.850 3.236 1.00 0.00 C ATOM 620 O LEU A 36 7.548 8.509 3.753 1.00 0.00 O ATOM 621 CB LEU A 36 9.187 5.425 3.500 1.00 0.00 C ATOM 622 CG LEU A 36 8.766 3.948 3.456 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.746 3.102 4.278 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.337 3.737 3.976 1.00 0.00 C ATOM 0 H LEU A 36 8.929 5.490 1.096 1.00 0.00 H new ATOM 0 HA LEU A 36 7.194 6.143 3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.160 5.526 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.313 5.722 4.541 1.00 0.00 H new ATOM 0 HG LEU A 36 8.787 3.634 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.442 2.056 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.749 3.202 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.744 3.446 5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.084 2.678 3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.272 4.077 5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.639 4.306 3.362 1.00 0.00 H new ATOM 636 N GLU A 37 9.645 8.373 2.981 1.00 0.00 N ATOM 637 CA GLU A 37 9.976 9.736 3.378 1.00 0.00 C ATOM 638 C GLU A 37 9.326 10.757 2.431 1.00 0.00 C ATOM 639 O GLU A 37 8.826 11.789 2.874 1.00 0.00 O ATOM 640 CB GLU A 37 11.501 9.878 3.490 1.00 0.00 C ATOM 641 CG GLU A 37 11.893 10.883 4.581 1.00 0.00 C ATOM 642 CD GLU A 37 13.391 10.848 4.859 1.00 0.00 C ATOM 643 OE1 GLU A 37 14.151 10.876 3.867 1.00 0.00 O ATOM 644 OE2 GLU A 37 13.749 10.785 6.055 1.00 0.00 O ATOM 0 H GLU A 37 10.397 7.875 2.505 1.00 0.00 H new ATOM 0 HA GLU A 37 9.562 9.951 4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.943 8.907 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.909 10.201 2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.602 11.887 4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.346 10.659 5.497 1.00 0.00 H new ATOM 651 N GLU A 38 9.318 10.457 1.126 1.00 0.00 N ATOM 652 CA GLU A 38 8.713 11.295 0.091 1.00 0.00 C ATOM 653 C GLU A 38 7.239 11.617 0.391 1.00 0.00 C ATOM 654 O GLU A 38 6.783 12.722 0.104 1.00 0.00 O ATOM 655 CB GLU A 38 8.873 10.611 -1.281 1.00 0.00 C ATOM 656 CG GLU A 38 9.921 11.260 -2.199 1.00 0.00 C ATOM 657 CD GLU A 38 9.261 12.095 -3.292 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.845 13.227 -2.972 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.163 11.569 -4.422 1.00 0.00 O ATOM 0 H GLU A 38 9.742 9.606 0.756 1.00 0.00 H new ATOM 0 HA GLU A 38 9.235 12.252 0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.144 9.567 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.909 10.617 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.585 11.891 -1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.539 10.485 -2.653 1.00 0.00 H new ATOM 666 N HIS A 39 6.478 10.659 0.933 1.00 0.00 N ATOM 667 CA HIS A 39 5.064 10.833 1.241 1.00 0.00 C ATOM 668 C HIS A 39 4.819 12.132 2.016 1.00 0.00 C ATOM 669 O HIS A 39 5.285 12.250 3.153 1.00 0.00 O ATOM 670 CB HIS A 39 4.538 9.623 2.021 1.00 0.00 C ATOM 671 CG HIS A 39 3.132 9.782 2.550 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.802 9.894 3.876 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.960 9.697 1.847 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.461 9.866 3.961 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.894 9.706 2.748 1.00 0.00 N ATOM 0 H HIS A 39 6.835 9.734 1.170 1.00 0.00 H new ATOM 0 HA HIS A 39 4.517 10.905 0.301 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.572 8.747 1.374 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.208 9.427 2.858 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.454 9.982 4.655 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.875 9.633 0.772 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.908 9.960 4.884 1.00 0.00 H new ATOM 683 N PRO A 40 4.070 13.095 1.442 1.00 0.00 N ATOM 684 CA PRO A 40 3.761 14.357 2.091 1.00 0.00 C ATOM 685 C PRO A 40 2.793 14.086 3.241 1.00 0.00 C ATOM 686 O PRO A 40 1.580 14.222 3.107 1.00 0.00 O ATOM 687 CB PRO A 40 3.174 15.266 1.007 1.00 0.00 C ATOM 688 CG PRO A 40 2.621 14.296 -0.032 1.00 0.00 C ATOM 689 CD PRO A 40 3.435 13.015 0.137 1.00 0.00 C ATOM 0 HA PRO A 40 4.632 14.847 2.526 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.391 15.910 1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.935 15.918 0.578 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.559 14.111 0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.725 14.698 -1.040 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.793 12.137 0.072 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.181 12.923 -0.652 1.00 0.00 H new ATOM 697 N GLY A 41 3.366 13.653 4.360 1.00 0.00 N ATOM 698 CA GLY A 41 2.651 13.188 5.530 1.00 0.00 C ATOM 699 C GLY A 41 3.591 12.396 6.433 1.00 0.00 C ATOM 700 O GLY A 41 3.445 12.447 7.652 1.00 0.00 O ATOM 0 H GLY A 41 4.379 13.618 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.238 14.037 6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.810 12.563 5.229 1.00 0.00 H new ATOM 704 N GLY A 42 4.563 11.674 5.852 1.00 0.00 N ATOM 705 CA GLY A 42 5.545 10.934 6.629 1.00 0.00 C ATOM 706 C GLY A 42 5.706 9.492 6.218 1.00 0.00 C ATOM 707 O GLY A 42 4.883 8.965 5.470 1.00 0.00 O ATOM 0 H GLY A 42 4.682 11.593 4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.510 11.434 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.260 10.970 7.681 1.00 0.00 H new ATOM 711 N GLU A 43 6.713 8.853 6.818 1.00 0.00 N ATOM 712 CA GLU A 43 6.971 7.438 6.658 1.00 0.00 C ATOM 713 C GLU A 43 6.169 6.632 7.682 1.00 0.00 C ATOM 714 O GLU A 43 5.548 5.639 7.318 1.00 0.00 O ATOM 715 CB GLU A 43 8.480 7.168 6.851 1.00 0.00 C ATOM 716 CG GLU A 43 8.808 5.692 7.163 1.00 0.00 C ATOM 717 CD GLU A 43 10.294 5.352 7.080 1.00 0.00 C ATOM 718 OE1 GLU A 43 11.033 6.135 6.447 1.00 0.00 O ATOM 719 OE2 GLU A 43 10.651 4.288 7.631 1.00 0.00 O ATOM 0 H GLU A 43 7.377 9.320 7.436 1.00 0.00 H new ATOM 0 HA GLU A 43 6.667 7.132 5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.013 7.467 5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.852 7.794 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.447 5.455 8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.261 5.055 6.468 1.00 0.00 H new ATOM 726 N GLU A 44 6.209 7.008 8.971 1.00 0.00 N ATOM 727 CA GLU A 44 5.637 6.183 10.039 1.00 0.00 C ATOM 728 C GLU A 44 4.175 5.875 9.736 1.00 0.00 C ATOM 729 O GLU A 44 3.775 4.716 9.727 1.00 0.00 O ATOM 730 CB GLU A 44 5.763 6.856 11.413 1.00 0.00 C ATOM 731 CG GLU A 44 5.368 5.889 12.546 1.00 0.00 C ATOM 732 CD GLU A 44 4.678 6.634 13.679 1.00 0.00 C ATOM 733 OE1 GLU A 44 3.476 6.925 13.504 1.00 0.00 O ATOM 734 OE2 GLU A 44 5.376 6.938 14.670 1.00 0.00 O ATOM 0 H GLU A 44 6.632 7.878 9.295 1.00 0.00 H new ATOM 0 HA GLU A 44 6.204 5.253 10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.788 7.195 11.562 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.126 7.740 11.448 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.705 5.117 12.156 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.257 5.384 12.925 1.00 0.00 H new ATOM 741 N VAL A 45 3.395 6.908 9.408 1.00 0.00 N ATOM 742 CA VAL A 45 2.006 6.750 9.025 1.00 0.00 C ATOM 743 C VAL A 45 1.865 5.695 7.916 1.00 0.00 C ATOM 744 O VAL A 45 0.882 4.965 7.888 1.00 0.00 O ATOM 745 CB VAL A 45 1.391 8.121 8.683 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.663 9.164 9.777 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.860 8.686 7.341 1.00 0.00 C ATOM 0 H VAL A 45 3.717 7.876 9.403 1.00 0.00 H new ATOM 0 HA VAL A 45 1.428 6.364 9.865 1.00 0.00 H new ATOM 0 HB VAL A 45 0.320 7.928 8.614 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.211 10.115 9.494 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.232 8.824 10.719 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.739 9.294 9.896 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.386 9.652 7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.943 8.811 7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.586 7.998 6.541 1.00 0.00 H new ATOM 757 N LEU A 46 2.866 5.552 7.038 1.00 0.00 N ATOM 758 CA LEU A 46 2.912 4.483 6.049 1.00 0.00 C ATOM 759 C LEU A 46 3.350 3.137 6.615 1.00 0.00 C ATOM 760 O LEU A 46 2.788 2.103 6.257 1.00 0.00 O ATOM 761 CB LEU A 46 3.713 4.893 4.802 1.00 0.00 C ATOM 762 CG LEU A 46 2.849 5.595 3.747 1.00 0.00 C ATOM 763 CD1 LEU A 46 1.668 4.720 3.304 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.233 6.875 4.268 1.00 0.00 C ATOM 0 H LEU A 46 3.668 6.181 6.999 1.00 0.00 H new ATOM 0 HA LEU A 46 1.881 4.327 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.526 5.556 5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.169 4.007 4.361 1.00 0.00 H new ATOM 0 HG LEU A 46 3.530 5.797 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.081 5.253 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.044 3.791 2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.040 4.494 4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.631 7.334 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.601 6.651 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.023 7.563 4.569 1.00 0.00 H new ATOM 776 N ARG A 47 4.344 3.137 7.496 1.00 0.00 N ATOM 777 CA ARG A 47 4.874 1.928 8.106 1.00 0.00 C ATOM 778 C ARG A 47 4.077 1.497 9.349 1.00 0.00 C ATOM 779 O ARG A 47 4.480 0.553 10.025 1.00 0.00 O ATOM 780 CB ARG A 47 6.378 2.127 8.374 1.00 0.00 C ATOM 781 CG ARG A 47 7.215 1.037 7.693 1.00 0.00 C ATOM 782 CD ARG A 47 7.212 -0.280 8.471 1.00 0.00 C ATOM 783 NE ARG A 47 8.010 -0.135 9.696 1.00 0.00 N ATOM 784 CZ ARG A 47 8.008 -0.976 10.740 1.00 0.00 C ATOM 785 NH1 ARG A 47 7.137 -1.988 10.788 1.00 0.00 N ATOM 786 NH2 ARG A 47 8.894 -0.799 11.727 1.00 0.00 N ATOM 0 H ARG A 47 4.809 3.989 7.809 1.00 0.00 H new ATOM 0 HA ARG A 47 4.759 1.093 7.415 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.688 3.107 8.010 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.563 2.113 9.448 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.829 0.862 6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.241 1.388 7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.190 -0.562 8.723 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.620 -1.079 7.853 1.00 0.00 H new ATOM 0 HE ARG A 47 8.621 0.679 9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.470 -2.123 10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.139 -2.625 11.584 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.562 -0.030 11.681 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.901 -1.433 12.526 1.00 0.00 H new ATOM 800 N GLU A 48 2.947 2.155 9.630 1.00 0.00 N ATOM 801 CA GLU A 48 2.103 1.891 10.784 1.00 0.00 C ATOM 802 C GLU A 48 1.619 0.447 10.772 1.00 0.00 C ATOM 803 O GLU A 48 1.866 -0.313 11.705 1.00 0.00 O ATOM 804 CB GLU A 48 0.927 2.888 10.799 1.00 0.00 C ATOM 805 CG GLU A 48 1.006 3.850 11.989 1.00 0.00 C ATOM 806 CD GLU A 48 0.681 3.141 13.299 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.523 3.097 13.630 1.00 0.00 O ATOM 808 OE2 GLU A 48 1.632 2.628 13.927 1.00 0.00 O ATOM 0 H GLU A 48 2.591 2.906 9.039 1.00 0.00 H new ATOM 0 HA GLU A 48 2.680 2.029 11.698 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.924 3.459 9.871 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.014 2.339 10.839 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.006 4.281 12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.311 4.676 11.838 1.00 0.00 H new ATOM 815 N GLN A 49 0.938 0.072 9.687 1.00 0.00 N ATOM 816 CA GLN A 49 0.486 -1.295 9.496 1.00 0.00 C ATOM 817 C GLN A 49 1.489 -1.982 8.585 1.00 0.00 C ATOM 818 O GLN A 49 2.222 -2.876 9.006 1.00 0.00 O ATOM 819 CB GLN A 49 -0.938 -1.301 8.911 1.00 0.00 C ATOM 820 CG GLN A 49 -2.018 -1.095 9.986 1.00 0.00 C ATOM 821 CD GLN A 49 -2.310 -2.374 10.778 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.428 -3.198 10.987 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.553 -2.579 11.205 1.00 0.00 N ATOM 0 H GLN A 49 0.690 0.705 8.927 1.00 0.00 H new ATOM 0 HA GLN A 49 0.434 -1.836 10.441 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.022 -0.515 8.161 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.114 -2.248 8.401 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.698 -0.312 10.673 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.936 -0.748 9.512 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.276 -1.883 11.023 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.783 -3.432 11.715 1.00 0.00 H new ATOM 832 N ALA A 50 1.525 -1.522 7.332 1.00 0.00 N ATOM 833 CA ALA A 50 2.203 -2.182 6.230 1.00 0.00 C ATOM 834 C ALA A 50 1.636 -3.588 5.975 1.00 0.00 C ATOM 835 O ALA A 50 0.986 -4.178 6.832 1.00 0.00 O ATOM 836 CB ALA A 50 3.711 -2.185 6.475 1.00 0.00 C ATOM 0 H ALA A 50 1.067 -0.653 7.055 1.00 0.00 H new ATOM 0 HA ALA A 50 2.019 -1.620 5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.213 -2.681 5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.069 -1.158 6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.928 -2.717 7.401 1.00 0.00 H new ATOM 842 N GLY A 51 1.860 -4.113 4.769 1.00 0.00 N ATOM 843 CA GLY A 51 1.483 -5.462 4.366 1.00 0.00 C ATOM 844 C GLY A 51 0.082 -5.877 4.830 1.00 0.00 C ATOM 845 O GLY A 51 -0.102 -6.966 5.362 1.00 0.00 O ATOM 0 H GLY A 51 2.324 -3.592 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.532 -5.534 3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.212 -6.168 4.765 1.00 0.00 H new ATOM 849 N GLY A 52 -0.920 -5.016 4.646 1.00 0.00 N ATOM 850 CA GLY A 52 -2.236 -5.225 5.210 1.00 0.00 C ATOM 851 C GLY A 52 -3.134 -4.088 4.748 1.00 0.00 C ATOM 852 O GLY A 52 -2.643 -3.120 4.152 1.00 0.00 O ATOM 0 H GLY A 52 -0.833 -4.158 4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.640 -6.184 4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.184 -5.251 6.298 1.00 0.00 H new ATOM 856 N ASP A 53 -4.438 -4.243 4.983 1.00 0.00 N ATOM 857 CA ASP A 53 -5.509 -3.355 4.554 1.00 0.00 C ATOM 858 C ASP A 53 -5.366 -1.973 5.184 1.00 0.00 C ATOM 859 O ASP A 53 -6.093 -1.599 6.100 1.00 0.00 O ATOM 860 CB ASP A 53 -6.880 -3.986 4.868 1.00 0.00 C ATOM 861 CG ASP A 53 -6.997 -5.432 4.408 1.00 0.00 C ATOM 862 OD1 ASP A 53 -6.244 -6.254 4.982 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.789 -5.683 3.474 1.00 0.00 O ATOM 0 H ASP A 53 -4.791 -5.042 5.510 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.438 -3.221 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.056 -3.939 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.662 -3.396 4.390 1.00 0.00 H new ATOM 868 N ALA A 54 -4.457 -1.168 4.637 1.00 0.00 N ATOM 869 CA ALA A 54 -4.284 0.205 5.067 1.00 0.00 C ATOM 870 C ALA A 54 -5.422 1.087 4.541 1.00 0.00 C ATOM 871 O ALA A 54 -5.492 2.259 4.916 1.00 0.00 O ATOM 872 CB ALA A 54 -2.899 0.706 4.646 1.00 0.00 C ATOM 0 H ALA A 54 -3.826 -1.453 3.888 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.334 0.259 6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.772 1.739 4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.132 0.084 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.807 0.653 3.561 1.00 0.00 H new ATOM 878 N THR A 55 -6.314 0.543 3.695 1.00 0.00 N ATOM 879 CA THR A 55 -7.505 1.238 3.234 1.00 0.00 C ATOM 880 C THR A 55 -8.199 1.957 4.377 1.00 0.00 C ATOM 881 O THR A 55 -8.447 3.148 4.248 1.00 0.00 O ATOM 882 CB THR A 55 -8.492 0.294 2.534 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.909 -0.149 1.334 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.773 1.042 2.157 1.00 0.00 C ATOM 0 H THR A 55 -6.218 -0.399 3.315 1.00 0.00 H new ATOM 0 HA THR A 55 -7.171 1.975 2.504 1.00 0.00 H new ATOM 0 HB THR A 55 -8.723 -0.531 3.208 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.695 -1.103 1.407 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.462 0.358 1.662 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.241 1.439 3.058 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.530 1.863 1.483 1.00 0.00 H new ATOM 892 N GLU A 56 -8.493 1.254 5.473 1.00 0.00 N ATOM 893 CA GLU A 56 -9.133 1.838 6.641 1.00 0.00 C ATOM 894 C GLU A 56 -8.505 3.193 6.972 1.00 0.00 C ATOM 895 O GLU A 56 -9.200 4.202 7.021 1.00 0.00 O ATOM 896 CB GLU A 56 -9.036 0.843 7.805 1.00 0.00 C ATOM 897 CG GLU A 56 -10.037 -0.302 7.593 1.00 0.00 C ATOM 898 CD GLU A 56 -9.685 -1.534 8.414 1.00 0.00 C ATOM 899 OE1 GLU A 56 -9.534 -1.372 9.643 1.00 0.00 O ATOM 900 OE2 GLU A 56 -9.591 -2.615 7.794 1.00 0.00 O ATOM 0 H GLU A 56 -8.290 0.259 5.570 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.188 2.028 6.443 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.023 0.446 7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.243 1.350 8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.037 0.038 7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.064 -0.568 6.536 1.00 0.00 H new ATOM 907 N ASN A 57 -7.181 3.230 7.130 1.00 0.00 N ATOM 908 CA ASN A 57 -6.480 4.437 7.548 1.00 0.00 C ATOM 909 C ASN A 57 -6.424 5.481 6.430 1.00 0.00 C ATOM 910 O ASN A 57 -6.555 6.677 6.682 1.00 0.00 O ATOM 911 CB ASN A 57 -5.061 4.080 7.998 1.00 0.00 C ATOM 912 CG ASN A 57 -4.545 5.016 9.089 1.00 0.00 C ATOM 913 OD1 ASN A 57 -3.756 4.596 9.926 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.982 6.273 9.124 1.00 0.00 N ATOM 0 H ASN A 57 -6.571 2.428 6.972 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.034 4.873 8.379 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.046 3.054 8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.389 4.121 7.140 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.660 6.905 9.857 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.639 6.604 8.418 1.00 0.00 H new ATOM 921 N PHE A 58 -6.174 5.024 5.202 1.00 0.00 N ATOM 922 CA PHE A 58 -6.120 5.856 4.007 1.00 0.00 C ATOM 923 C PHE A 58 -7.450 6.598 3.803 1.00 0.00 C ATOM 924 O PHE A 58 -7.444 7.803 3.538 1.00 0.00 O ATOM 925 CB PHE A 58 -5.731 4.962 2.818 1.00 0.00 C ATOM 926 CG PHE A 58 -5.950 5.546 1.437 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.982 6.373 0.839 1.00 0.00 C ATOM 928 CD2 PHE A 58 -7.132 5.240 0.741 1.00 0.00 C ATOM 929 CE1 PHE A 58 -5.233 6.946 -0.421 1.00 0.00 C ATOM 930 CE2 PHE A 58 -7.408 5.852 -0.490 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.459 6.712 -1.069 1.00 0.00 C ATOM 0 H PHE A 58 -5.999 4.038 5.010 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.364 6.635 4.107 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.677 4.702 2.916 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.296 4.033 2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.048 6.568 1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.831 4.530 1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.484 7.566 -0.891 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.346 5.663 -0.991 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.671 7.193 -2.012 1.00 0.00 H new ATOM 941 N GLU A 59 -8.570 5.881 3.959 1.00 0.00 N ATOM 942 CA GLU A 59 -9.941 6.365 3.835 1.00 0.00 C ATOM 943 C GLU A 59 -10.363 7.157 5.074 1.00 0.00 C ATOM 944 O GLU A 59 -11.153 8.088 4.953 1.00 0.00 O ATOM 945 CB GLU A 59 -10.915 5.198 3.603 1.00 0.00 C ATOM 946 CG GLU A 59 -10.918 4.693 2.150 1.00 0.00 C ATOM 947 CD GLU A 59 -11.539 5.678 1.155 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.385 6.483 1.595 1.00 0.00 O ATOM 949 OE2 GLU A 59 -11.172 5.600 -0.039 1.00 0.00 O ATOM 0 H GLU A 59 -8.535 4.888 4.189 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.976 7.030 2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.651 4.375 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.922 5.514 3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.893 4.482 1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.464 3.751 2.104 1.00 0.00 H new ATOM 956 N ASP A 60 -9.831 6.820 6.256 1.00 0.00 N ATOM 957 CA ASP A 60 -10.044 7.606 7.471 1.00 0.00 C ATOM 958 C ASP A 60 -9.753 9.083 7.184 1.00 0.00 C ATOM 959 O ASP A 60 -10.518 9.971 7.552 1.00 0.00 O ATOM 960 CB ASP A 60 -9.152 7.073 8.605 1.00 0.00 C ATOM 961 CG ASP A 60 -9.598 7.511 9.994 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.822 7.658 10.198 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.696 7.645 10.849 1.00 0.00 O ATOM 0 H ASP A 60 -9.244 5.998 6.393 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.083 7.515 7.789 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.140 5.984 8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.129 7.410 8.439 1.00 0.00 H new ATOM 968 N VAL A 61 -8.653 9.332 6.461 1.00 0.00 N ATOM 969 CA VAL A 61 -8.316 10.649 5.930 1.00 0.00 C ATOM 970 C VAL A 61 -8.983 10.911 4.570 1.00 0.00 C ATOM 971 O VAL A 61 -9.260 12.061 4.230 1.00 0.00 O ATOM 972 CB VAL A 61 -6.788 10.824 5.902 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.386 12.160 5.263 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.241 10.749 7.333 1.00 0.00 C ATOM 0 H VAL A 61 -7.968 8.613 6.229 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.721 11.412 6.595 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.364 10.023 5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.300 12.250 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.756 12.199 4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.816 12.981 5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.158 10.873 7.316 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.687 11.541 7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.488 9.780 7.767 1.00 0.00 H new ATOM 984 N GLY A 62 -9.216 9.880 3.758 1.00 0.00 N ATOM 985 CA GLY A 62 -9.920 9.997 2.487 1.00 0.00 C ATOM 986 C GLY A 62 -8.917 10.142 1.350 1.00 0.00 C ATOM 987 O GLY A 62 -8.977 9.395 0.377 1.00 0.00 O ATOM 0 H GLY A 62 -8.916 8.928 3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.543 9.117 2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.586 10.860 2.508 1.00 0.00 H new ATOM 991 N HIS A 63 -8.000 11.105 1.503 1.00 0.00 N ATOM 992 CA HIS A 63 -7.000 11.513 0.520 1.00 0.00 C ATOM 993 C HIS A 63 -7.635 12.188 -0.704 1.00 0.00 C ATOM 994 O HIS A 63 -8.697 11.796 -1.184 1.00 0.00 O ATOM 995 CB HIS A 63 -6.091 10.352 0.085 1.00 0.00 C ATOM 996 CG HIS A 63 -5.035 9.951 1.084 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.221 9.246 2.254 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.690 10.142 0.925 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.999 9.047 2.788 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.026 9.559 2.004 1.00 0.00 N ATOM 0 H HIS A 63 -7.936 11.647 2.364 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.373 12.249 1.023 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.715 9.484 -0.128 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.599 10.627 -0.848 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.112 8.935 2.641 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.220 10.658 0.101 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.821 8.541 3.726 1.00 0.00 H new ATOM 1008 N SER A 64 -6.967 13.217 -1.231 1.00 0.00 N ATOM 1009 CA SER A 64 -7.403 13.898 -2.439 1.00 0.00 C ATOM 1010 C SER A 64 -7.199 13.025 -3.679 1.00 0.00 C ATOM 1011 O SER A 64 -6.425 12.065 -3.677 1.00 0.00 O ATOM 1012 CB SER A 64 -6.657 15.228 -2.575 1.00 0.00 C ATOM 1013 OG SER A 64 -6.865 15.984 -1.399 1.00 0.00 O ATOM 0 H SER A 64 -6.110 13.597 -0.828 1.00 0.00 H new ATOM 0 HA SER A 64 -8.472 14.096 -2.360 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.592 15.051 -2.727 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.017 15.776 -3.446 1.00 0.00 H new ATOM 0 HG SER A 64 -6.391 16.839 -1.471 1.00 0.00 H new ATOM 1019 N THR A 65 -7.888 13.390 -4.765 1.00 0.00 N ATOM 1020 CA THR A 65 -7.832 12.652 -6.018 1.00 0.00 C ATOM 1021 C THR A 65 -6.394 12.577 -6.549 1.00 0.00 C ATOM 1022 O THR A 65 -5.978 11.532 -7.042 1.00 0.00 O ATOM 1023 CB THR A 65 -8.862 13.205 -7.020 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.265 12.193 -7.920 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.356 14.411 -7.814 1.00 0.00 C ATOM 0 H THR A 65 -8.499 14.207 -4.794 1.00 0.00 H new ATOM 0 HA THR A 65 -8.123 11.616 -5.846 1.00 0.00 H new ATOM 0 HB THR A 65 -9.708 13.545 -6.422 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.921 12.558 -8.550 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.134 14.747 -8.500 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.104 15.219 -7.127 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.470 14.127 -8.381 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.612 13.648 -6.364 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.175 13.687 -6.594 1.00 0.00 C ATOM 1035 C ASP A 66 -3.509 12.420 -6.062 1.00 0.00 C ATOM 1036 O ASP A 66 -2.800 11.718 -6.777 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.587 14.919 -5.887 1.00 0.00 C ATOM 1038 CG ASP A 66 -4.171 16.218 -6.416 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -5.417 16.329 -6.328 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.371 17.068 -6.859 1.00 0.00 O ATOM 0 H ASP A 66 -5.983 14.540 -6.038 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.988 13.748 -7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.777 14.847 -4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.505 14.929 -6.018 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.760 12.104 -4.789 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.201 10.913 -4.179 1.00 0.00 C ATOM 1047 C ALA A 67 -3.735 9.667 -4.877 1.00 0.00 C ATOM 1048 O ALA A 67 -2.962 8.763 -5.177 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.480 10.884 -2.676 1.00 0.00 C ATOM 0 H ALA A 67 -4.347 12.661 -4.168 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.118 10.931 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.050 9.981 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.033 11.760 -2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.557 10.891 -2.506 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.043 9.601 -5.146 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.626 8.469 -5.861 1.00 0.00 C ATOM 1057 C ARG A 68 -4.891 8.189 -7.174 1.00 0.00 C ATOM 1058 O ARG A 68 -4.463 7.054 -7.395 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.134 8.651 -6.089 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.895 8.537 -4.758 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.962 7.427 -4.759 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.322 7.984 -4.849 1.00 0.00 N ATOM 1063 CZ ARG A 68 -11.417 7.347 -5.300 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.320 6.117 -5.822 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -12.611 7.945 -5.230 1.00 0.00 N ATOM 0 H ARG A 68 -5.715 10.320 -4.878 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.500 7.593 -5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.325 9.624 -6.542 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.496 7.897 -6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.183 8.346 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.374 9.491 -4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.787 6.754 -5.599 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.871 6.833 -3.850 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.446 8.948 -4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.411 5.658 -5.879 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.155 5.640 -6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.690 8.882 -4.835 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.443 7.464 -5.571 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.730 9.193 -8.040 1.00 0.00 N ATOM 1080 CA GLU A 69 -4.002 8.980 -9.281 1.00 0.00 C ATOM 1081 C GLU A 69 -2.536 8.643 -8.990 1.00 0.00 C ATOM 1082 O GLU A 69 -1.967 7.751 -9.614 1.00 0.00 O ATOM 1083 CB GLU A 69 -4.181 10.141 -10.270 1.00 0.00 C ATOM 1084 CG GLU A 69 -3.580 11.474 -9.819 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.651 12.495 -10.944 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.788 12.898 -11.263 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -2.572 12.809 -11.491 1.00 0.00 O ATOM 0 H GLU A 69 -5.087 10.139 -7.905 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.432 8.115 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.730 9.860 -11.222 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.246 10.283 -10.451 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.118 11.846 -8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.543 11.329 -9.516 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.923 9.304 -8.006 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.528 9.058 -7.674 1.00 0.00 C ATOM 1096 C LEU A 70 -0.311 7.604 -7.253 1.00 0.00 C ATOM 1097 O LEU A 70 0.678 6.987 -7.642 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.066 10.040 -6.594 1.00 0.00 C ATOM 1099 CG LEU A 70 1.461 10.148 -6.509 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.046 10.904 -7.709 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.827 10.893 -5.220 1.00 0.00 C ATOM 0 H LEU A 70 -2.375 10.013 -7.428 1.00 0.00 H new ATOM 0 HA LEU A 70 0.081 9.224 -8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.485 11.025 -6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.458 9.723 -5.628 1.00 0.00 H new ATOM 0 HG LEU A 70 1.878 9.141 -6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.130 10.959 -7.611 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.791 10.379 -8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.633 11.912 -7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.911 10.978 -5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.385 11.889 -5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.446 10.342 -4.360 1.00 0.00 H new ATOM 1113 N SER A 71 -1.252 7.031 -6.497 1.00 0.00 N ATOM 1114 CA SER A 71 -1.238 5.629 -6.105 1.00 0.00 C ATOM 1115 C SER A 71 -0.880 4.746 -7.299 1.00 0.00 C ATOM 1116 O SER A 71 -0.027 3.877 -7.184 1.00 0.00 O ATOM 1117 CB SER A 71 -2.580 5.195 -5.498 1.00 0.00 C ATOM 1118 OG SER A 71 -3.138 6.161 -4.638 1.00 0.00 O ATOM 0 H SER A 71 -2.057 7.543 -6.136 1.00 0.00 H new ATOM 0 HA SER A 71 -0.476 5.509 -5.335 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.284 4.984 -6.303 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.438 4.265 -4.947 1.00 0.00 H new ATOM 0 HG SER A 71 -3.335 6.976 -5.145 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.504 4.967 -8.460 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.218 4.195 -9.658 1.00 0.00 C ATOM 1126 C LYS A 72 0.279 4.172 -9.983 1.00 0.00 C ATOM 1127 O LYS A 72 0.831 3.108 -10.237 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.079 4.711 -10.813 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.288 3.792 -11.021 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.396 4.516 -11.796 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.646 3.637 -11.940 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.339 3.441 -10.651 1.00 0.00 N ATOM 0 H LYS A 72 -2.218 5.684 -8.589 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.484 3.152 -9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.416 5.726 -10.600 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.486 4.757 -11.726 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.982 2.898 -11.565 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.670 3.462 -10.055 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.657 5.441 -11.281 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.029 4.794 -12.784 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.331 4.096 -12.653 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.362 2.668 -12.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.253 2.974 -10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.754 2.847 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.499 4.364 -10.199 1.00 0.00 H new ATOM 1146 N THR A 73 0.957 5.317 -9.907 1.00 0.00 N ATOM 1147 CA THR A 73 2.406 5.388 -10.074 1.00 0.00 C ATOM 1148 C THR A 73 3.166 4.494 -9.073 1.00 0.00 C ATOM 1149 O THR A 73 4.274 4.054 -9.374 1.00 0.00 O ATOM 1150 CB THR A 73 2.841 6.868 -10.055 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.660 7.419 -11.345 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.285 7.096 -9.616 1.00 0.00 C ATOM 0 H THR A 73 0.517 6.220 -9.728 1.00 0.00 H new ATOM 0 HA THR A 73 2.678 4.974 -11.045 1.00 0.00 H new ATOM 0 HB THR A 73 2.214 7.359 -9.311 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.933 8.360 -11.340 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.506 8.163 -9.632 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.423 6.712 -8.605 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.959 6.576 -10.297 1.00 0.00 H new ATOM 1160 N TYR A 74 2.590 4.200 -7.903 1.00 0.00 N ATOM 1161 CA TYR A 74 3.191 3.332 -6.891 1.00 0.00 C ATOM 1162 C TYR A 74 2.632 1.908 -6.935 1.00 0.00 C ATOM 1163 O TYR A 74 3.071 1.044 -6.172 1.00 0.00 O ATOM 1164 CB TYR A 74 2.936 3.925 -5.504 1.00 0.00 C ATOM 1165 CG TYR A 74 3.628 5.246 -5.252 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.033 5.311 -5.247 1.00 0.00 C ATOM 1167 CD2 TYR A 74 2.875 6.415 -5.051 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.679 6.559 -5.195 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.531 7.645 -4.886 1.00 0.00 C ATOM 1170 CZ TYR A 74 4.920 7.731 -5.054 1.00 0.00 C ATOM 1171 OH TYR A 74 5.511 8.958 -5.121 1.00 0.00 O ATOM 0 H TYR A 74 1.678 4.566 -7.630 1.00 0.00 H new ATOM 0 HA TYR A 74 4.259 3.275 -7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.863 4.060 -5.372 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.262 3.208 -4.750 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.616 4.402 -5.283 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.796 6.367 -5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.755 6.615 -5.263 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.964 8.527 -4.629 1.00 0.00 H new ATOM 0 HH TYR A 74 5.596 9.330 -4.218 1.00 0.00 H new ATOM 1181 N ILE A 75 1.626 1.660 -7.776 1.00 0.00 N ATOM 1182 CA ILE A 75 0.983 0.364 -7.834 1.00 0.00 C ATOM 1183 C ILE A 75 1.967 -0.626 -8.424 1.00 0.00 C ATOM 1184 O ILE A 75 2.640 -0.327 -9.408 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.348 0.448 -8.593 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.408 -0.455 -7.947 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.258 0.114 -10.089 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.796 -0.044 -8.441 1.00 0.00 C ATOM 0 H ILE A 75 1.244 2.348 -8.425 1.00 0.00 H new ATOM 0 HA ILE A 75 0.716 0.014 -6.837 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.635 1.497 -8.521 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.215 -1.498 -8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.358 -0.374 -6.861 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.246 0.200 -10.541 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.426 0.809 -10.576 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.110 -0.904 -10.213 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.550 -0.685 -7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.987 0.994 -8.168 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.842 -0.148 -9.525 1.00 0.00 H new ATOM 1200 N ILE A 76 2.059 -1.800 -7.809 1.00 0.00 N ATOM 1201 CA ILE A 76 2.899 -2.865 -8.322 1.00 0.00 C ATOM 1202 C ILE A 76 2.007 -3.926 -8.944 1.00 0.00 C ATOM 1203 O ILE A 76 2.266 -4.359 -10.064 1.00 0.00 O ATOM 1204 CB ILE A 76 3.855 -3.377 -7.234 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.122 -3.769 -5.938 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.888 -2.273 -6.973 1.00 0.00 C ATOM 1207 CD1 ILE A 76 4.039 -4.287 -4.835 1.00 0.00 C ATOM 0 H ILE A 76 1.558 -2.034 -6.952 1.00 0.00 H new ATOM 0 HA ILE A 76 3.558 -2.505 -9.112 1.00 0.00 H new ATOM 0 HB ILE A 76 4.341 -4.289 -7.581 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.577 -2.902 -5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.382 -4.535 -6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.586 -2.602 -6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.435 -2.062 -7.892 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.378 -1.370 -6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.445 -4.541 -3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.565 -5.175 -5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.763 -3.516 -4.572 1.00 0.00 H new ATOM 1219 N GLY A 77 0.939 -4.307 -8.242 1.00 0.00 N ATOM 1220 CA GLY A 77 0.006 -5.316 -8.694 1.00 0.00 C ATOM 1221 C GLY A 77 -1.237 -5.278 -7.820 1.00 0.00 C ATOM 1222 O GLY A 77 -1.628 -4.211 -7.344 1.00 0.00 O ATOM 0 H GLY A 77 0.703 -3.912 -7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.262 -5.139 -9.736 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.468 -6.302 -8.647 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.855 -6.438 -7.610 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.183 -6.522 -7.035 1.00 0.00 C ATOM 1228 C GLU A 78 -3.288 -7.715 -6.097 1.00 0.00 C ATOM 1229 O GLU A 78 -2.345 -8.484 -5.930 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.239 -6.588 -8.145 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.236 -5.389 -9.099 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.488 -5.408 -9.970 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -5.563 -6.305 -10.841 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -6.359 -4.544 -9.722 1.00 0.00 O ATOM 0 H GLU A 78 -1.443 -7.343 -7.836 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.368 -5.623 -6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.082 -7.498 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.225 -6.669 -7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.195 -4.461 -8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.346 -5.417 -9.728 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.437 -7.829 -5.442 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.685 -8.871 -4.468 1.00 0.00 C ATOM 1243 C LEU A 79 -5.131 -10.133 -5.218 1.00 0.00 C ATOM 1244 O LEU A 79 -5.919 -10.032 -6.158 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.716 -8.323 -3.473 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.501 -8.837 -2.042 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.837 -7.719 -1.057 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -6.337 -10.088 -1.780 1.00 0.00 C ATOM 0 H LEU A 79 -5.224 -7.194 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.802 -9.155 -3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.669 -7.234 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.717 -8.599 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.457 -9.122 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.687 -8.075 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.187 -6.864 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.877 -7.419 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.167 -10.432 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.393 -9.854 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.048 -10.872 -2.480 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.572 -11.294 -4.866 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.721 -12.539 -5.616 1.00 0.00 C ATOM 1262 C HIS A 80 -6.193 -12.868 -5.916 1.00 0.00 C ATOM 1263 O HIS A 80 -7.066 -12.636 -5.075 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.042 -13.676 -4.841 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.474 -14.790 -5.674 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.000 -16.051 -5.789 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.317 -14.762 -6.403 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.196 -16.761 -6.592 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.151 -16.018 -6.995 1.00 0.00 N ATOM 0 H HIS A 80 -3.991 -11.394 -4.033 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.236 -12.418 -6.584 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.238 -13.251 -4.241 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.767 -14.101 -4.147 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.650 -13.919 -6.504 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.365 -17.789 -6.876 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.391 -16.311 -7.609 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.498 -13.402 -7.111 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.868 -13.645 -7.516 1.00 0.00 C ATOM 1279 C PRO A 81 -8.519 -14.726 -6.656 1.00 0.00 C ATOM 1280 O PRO A 81 -9.714 -14.633 -6.382 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.829 -13.999 -9.002 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.407 -14.513 -9.218 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.578 -13.765 -8.178 1.00 0.00 C ATOM 0 HA PRO A 81 -8.491 -12.763 -7.368 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.571 -14.758 -9.252 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.039 -13.130 -9.626 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.347 -15.592 -9.074 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.058 -14.306 -10.230 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.771 -14.392 -7.799 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.116 -12.878 -8.612 1.00 0.00 H new