USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 561 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 35 GLN : amide:sc= -2.44 K(o=-2.5,f=-8.6!) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= -0.0231 USER MOD Single : A 14 MET CE :methyl 166:sc= -0.0532 (180deg=-0.307) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.461) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -28:sc= 0.113 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.99! C(o=-3!,f=-3!) USER MOD Single : A 31 LYS NZ :NH3+ -142:sc= 0.86 (180deg=-0.608!) USER MOD Single : A 33 THR OG1 : rot 156:sc= 0.64 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -142:sc= -0.164 (180deg=-1.14) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.04! X(o=-2!,f=-2.5) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -5.07! C(o=-5.1!,f=-6.5!) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.112) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.007) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 11 4.104 -11.420 -0.338 1.00 0.00 N ATOM 119 CA LEU A 11 3.345 -10.576 0.578 1.00 0.00 C ATOM 120 C LEU A 11 4.176 -10.218 1.805 1.00 0.00 C ATOM 121 O LEU A 11 4.392 -9.043 2.099 1.00 0.00 O ATOM 122 CB LEU A 11 2.059 -11.284 1.007 1.00 0.00 C ATOM 123 CG LEU A 11 0.934 -11.319 -0.028 1.00 0.00 C ATOM 124 CD1 LEU A 11 -0.127 -12.334 0.370 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.318 -9.938 -0.194 1.00 0.00 C ATOM 0 HA LEU A 11 3.088 -9.654 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.307 -12.310 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.683 -10.797 1.907 1.00 0.00 H new ATOM 0 HG LEU A 11 1.357 -11.623 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.919 -12.345 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.323 -13.324 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.546 -12.061 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.481 -9.982 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.090 -9.604 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.083 -9.236 -0.527 1.00 0.00 H new ATOM 137 N GLU A 12 4.642 -11.240 2.517 1.00 0.00 N ATOM 138 CA GLU A 12 5.451 -11.032 3.712 1.00 0.00 C ATOM 139 C GLU A 12 6.474 -9.922 3.490 1.00 0.00 C ATOM 140 O GLU A 12 6.419 -8.875 4.135 1.00 0.00 O ATOM 141 CB GLU A 12 6.165 -12.328 4.103 1.00 0.00 C ATOM 142 CG GLU A 12 5.226 -13.412 4.604 1.00 0.00 C ATOM 143 CD GLU A 12 4.405 -12.967 5.798 1.00 0.00 C ATOM 144 OE1 GLU A 12 4.988 -12.794 6.889 1.00 0.00 O ATOM 145 OE2 GLU A 12 3.178 -12.792 5.642 1.00 0.00 O ATOM 0 H GLU A 12 4.473 -12.219 2.287 1.00 0.00 H new ATOM 0 HA GLU A 12 4.786 -10.733 4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.714 -12.705 3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.900 -12.109 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.556 -13.708 3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.807 -14.293 4.876 1.00 0.00 H new ATOM 152 N ASP A 13 7.406 -10.159 2.574 1.00 0.00 N ATOM 153 CA ASP A 13 8.442 -9.180 2.265 1.00 0.00 C ATOM 154 C ASP A 13 7.835 -7.799 2.041 1.00 0.00 C ATOM 155 O ASP A 13 8.325 -6.802 2.570 1.00 0.00 O ATOM 156 CB ASP A 13 9.229 -9.612 1.027 1.00 0.00 C ATOM 157 CG ASP A 13 10.049 -10.863 1.269 1.00 0.00 C ATOM 158 OD1 ASP A 13 9.459 -11.896 1.650 1.00 0.00 O ATOM 159 OD2 ASP A 13 11.282 -10.811 1.077 1.00 0.00 O ATOM 0 H ASP A 13 7.466 -11.021 2.032 1.00 0.00 H new ATOM 0 HA ASP A 13 9.121 -9.125 3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.537 -9.789 0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.890 -8.802 0.720 1.00 0.00 H new ATOM 164 N MET A 14 6.766 -7.748 1.253 1.00 0.00 N ATOM 165 CA MET A 14 6.092 -6.489 0.960 1.00 0.00 C ATOM 166 C MET A 14 5.670 -5.785 2.246 1.00 0.00 C ATOM 167 O MET A 14 5.946 -4.601 2.436 1.00 0.00 O ATOM 168 CB MET A 14 4.869 -6.735 0.074 1.00 0.00 C ATOM 169 CG MET A 14 3.983 -5.511 -0.092 1.00 0.00 C ATOM 170 SD MET A 14 2.346 -5.919 -0.728 1.00 0.00 S ATOM 171 CE MET A 14 1.601 -6.675 0.715 1.00 0.00 C ATOM 0 H MET A 14 6.348 -8.564 0.806 1.00 0.00 H new ATOM 0 HA MET A 14 6.793 -5.846 0.429 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.203 -7.067 -0.909 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.278 -7.546 0.501 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.880 -5.009 0.870 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.466 -4.807 -0.769 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.524 -6.755 0.569 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.022 -7.669 0.863 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.803 -6.061 1.593 1.00 0.00 H new ATOM 181 N LYS A 15 5.000 -6.522 3.125 1.00 0.00 N ATOM 182 CA LYS A 15 4.541 -5.970 4.394 1.00 0.00 C ATOM 183 C LYS A 15 5.662 -5.208 5.094 1.00 0.00 C ATOM 184 O LYS A 15 5.482 -4.066 5.516 1.00 0.00 O ATOM 185 CB LYS A 15 4.024 -7.087 5.303 1.00 0.00 C ATOM 186 CG LYS A 15 2.788 -7.787 4.765 1.00 0.00 C ATOM 187 CD LYS A 15 2.566 -9.128 5.444 1.00 0.00 C ATOM 188 CE LYS A 15 1.897 -8.962 6.799 1.00 0.00 C ATOM 189 NZ LYS A 15 1.796 -10.256 7.529 1.00 0.00 N ATOM 0 H LYS A 15 4.763 -7.504 2.982 1.00 0.00 H new ATOM 0 HA LYS A 15 3.728 -5.274 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.815 -7.823 5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.797 -6.670 6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.915 -7.153 4.916 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.892 -7.935 3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.949 -9.762 4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.522 -9.637 5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.463 -8.250 7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.900 -8.543 6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.334 -10.101 8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.234 -10.928 6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.749 -10.644 7.681 1.00 0.00 H new ATOM 203 N LYS A 16 6.821 -5.848 5.213 1.00 0.00 N ATOM 204 CA LYS A 16 7.973 -5.231 5.859 1.00 0.00 C ATOM 205 C LYS A 16 8.374 -3.944 5.143 1.00 0.00 C ATOM 206 O LYS A 16 8.369 -2.865 5.736 1.00 0.00 O ATOM 207 CB LYS A 16 9.154 -6.204 5.880 1.00 0.00 C ATOM 208 CG LYS A 16 9.136 -7.156 7.063 1.00 0.00 C ATOM 209 CD LYS A 16 9.984 -8.389 6.800 1.00 0.00 C ATOM 210 CE LYS A 16 9.260 -9.383 5.905 1.00 0.00 C ATOM 211 NZ LYS A 16 8.418 -10.326 6.692 1.00 0.00 N ATOM 0 H LYS A 16 6.987 -6.794 4.870 1.00 0.00 H new ATOM 0 HA LYS A 16 7.695 -4.985 6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.152 -6.784 4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.083 -5.634 5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.505 -6.642 7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.110 -7.457 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.923 -8.093 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.236 -8.867 7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.634 -8.843 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.990 -9.946 5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.372 -11.242 6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.835 -10.459 7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.459 -9.937 6.789 1.00 0.00 H new ATOM 225 N TYR A 17 8.719 -4.066 3.866 1.00 0.00 N ATOM 226 CA TYR A 17 9.123 -2.913 3.070 1.00 0.00 C ATOM 227 C TYR A 17 8.044 -1.835 3.086 1.00 0.00 C ATOM 228 O TYR A 17 8.231 -0.763 3.661 1.00 0.00 O ATOM 229 CB TYR A 17 9.414 -3.338 1.630 1.00 0.00 C ATOM 230 CG TYR A 17 9.538 -2.177 0.669 1.00 0.00 C ATOM 231 CD1 TYR A 17 10.747 -1.512 0.505 1.00 0.00 C ATOM 232 CD2 TYR A 17 8.446 -1.744 -0.073 1.00 0.00 C ATOM 233 CE1 TYR A 17 10.865 -0.450 -0.371 1.00 0.00 C ATOM 234 CE2 TYR A 17 8.555 -0.684 -0.952 1.00 0.00 C ATOM 235 CZ TYR A 17 9.766 -0.040 -1.097 1.00 0.00 C ATOM 236 OH TYR A 17 9.878 1.017 -1.971 1.00 0.00 O ATOM 0 H TYR A 17 8.727 -4.952 3.360 1.00 0.00 H new ATOM 0 HA TYR A 17 10.030 -2.500 3.510 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.338 -3.915 1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.618 -3.999 1.287 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.609 -1.831 1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.496 -2.245 0.039 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.812 0.056 -0.487 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.697 -0.361 -1.523 1.00 0.00 H new ATOM 0 HH TYR A 17 9.013 1.177 -2.403 1.00 0.00 H new ATOM 246 N ALA A 18 6.914 -2.129 2.452 1.00 0.00 N ATOM 247 CA ALA A 18 5.803 -1.187 2.394 1.00 0.00 C ATOM 248 C ALA A 18 5.632 -0.458 3.723 1.00 0.00 C ATOM 249 O ALA A 18 5.307 0.728 3.753 1.00 0.00 O ATOM 250 CB ALA A 18 4.518 -1.909 2.017 1.00 0.00 C ATOM 0 H ALA A 18 6.744 -3.012 1.971 1.00 0.00 H new ATOM 0 HA ALA A 18 6.028 -0.445 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.697 -1.193 1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.638 -2.379 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.298 -2.673 2.763 1.00 0.00 H new ATOM 256 N GLU A 19 5.853 -1.177 4.820 1.00 0.00 N ATOM 257 CA GLU A 19 5.721 -0.597 6.151 1.00 0.00 C ATOM 258 C GLU A 19 6.874 0.359 6.445 1.00 0.00 C ATOM 259 O GLU A 19 6.691 1.576 6.494 1.00 0.00 O ATOM 260 CB GLU A 19 5.677 -1.701 7.210 1.00 0.00 C ATOM 261 CG GLU A 19 5.335 -1.196 8.602 1.00 0.00 C ATOM 262 CD GLU A 19 5.855 -2.107 9.697 1.00 0.00 C ATOM 263 OE1 GLU A 19 6.886 -2.775 9.472 1.00 0.00 O ATOM 264 OE2 GLU A 19 5.231 -2.152 10.777 1.00 0.00 O ATOM 0 H GLU A 19 6.124 -2.160 4.813 1.00 0.00 H new ATOM 0 HA GLU A 19 4.788 -0.034 6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.941 -2.449 6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.645 -2.201 7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.753 -0.198 8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.253 -1.103 8.695 1.00 0.00 H new ATOM 271 N THR A 20 8.064 -0.201 6.641 1.00 0.00 N ATOM 272 CA THR A 20 9.247 0.599 6.932 1.00 0.00 C ATOM 273 C THR A 20 9.441 1.693 5.888 1.00 0.00 C ATOM 274 O THR A 20 10.188 2.647 6.105 1.00 0.00 O ATOM 275 CB THR A 20 10.515 -0.272 6.988 1.00 0.00 C ATOM 276 OG1 THR A 20 11.600 0.477 7.546 1.00 0.00 O ATOM 277 CG2 THR A 20 10.894 -0.766 5.600 1.00 0.00 C ATOM 0 H THR A 20 8.234 -1.206 6.603 1.00 0.00 H new ATOM 0 HA THR A 20 9.087 1.056 7.908 1.00 0.00 H new ATOM 0 HB THR A 20 10.308 -1.136 7.620 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.470 1.430 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.793 -1.379 5.665 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.078 -1.361 5.190 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.083 0.088 4.949 1.00 0.00 H new ATOM 285 N PHE A 21 8.764 1.548 4.753 1.00 0.00 N ATOM 286 CA PHE A 21 8.862 2.524 3.675 1.00 0.00 C ATOM 287 C PHE A 21 7.756 3.570 3.784 1.00 0.00 C ATOM 288 O PHE A 21 7.977 4.753 3.524 1.00 0.00 O ATOM 289 CB PHE A 21 8.785 1.824 2.316 1.00 0.00 C ATOM 290 CG PHE A 21 8.398 2.741 1.191 1.00 0.00 C ATOM 291 CD1 PHE A 21 9.123 3.894 0.938 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.310 2.448 0.385 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.769 4.739 -0.096 1.00 0.00 C ATOM 294 CE2 PHE A 21 6.950 3.289 -0.652 1.00 0.00 C ATOM 295 CZ PHE A 21 7.682 4.436 -0.893 1.00 0.00 C ATOM 0 H PHE A 21 8.142 0.764 4.557 1.00 0.00 H new ATOM 0 HA PHE A 21 9.824 3.029 3.763 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.753 1.375 2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.062 1.010 2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.975 4.135 1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.736 1.552 0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.342 5.636 -0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.099 3.050 -1.272 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.405 5.094 -1.703 1.00 0.00 H new ATOM 305 N LEU A 22 6.566 3.124 4.170 1.00 0.00 N ATOM 306 CA LEU A 22 5.423 4.020 4.314 1.00 0.00 C ATOM 307 C LEU A 22 5.310 4.532 5.747 1.00 0.00 C ATOM 308 O LEU A 22 4.366 5.244 6.088 1.00 0.00 O ATOM 309 CB LEU A 22 4.134 3.302 3.914 1.00 0.00 C ATOM 310 CG LEU A 22 4.061 2.809 2.468 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.930 1.806 2.302 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.882 3.981 1.513 1.00 0.00 C ATOM 0 H LEU A 22 6.367 2.148 4.389 1.00 0.00 H new ATOM 0 HA LEU A 22 5.576 4.874 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.998 2.447 4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.296 3.977 4.089 1.00 0.00 H new ATOM 0 HG LEU A 22 5.000 2.310 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.894 1.467 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.101 0.953 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.983 2.279 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.832 3.611 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.959 4.509 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.726 4.663 1.612 1.00 0.00 H new ATOM 324 N GLU A 23 6.279 4.165 6.579 1.00 0.00 N ATOM 325 CA GLU A 23 6.288 4.589 7.975 1.00 0.00 C ATOM 326 C GLU A 23 6.161 6.106 8.083 1.00 0.00 C ATOM 327 O GLU A 23 5.256 6.634 8.730 1.00 0.00 O ATOM 328 CB GLU A 23 7.572 4.123 8.664 1.00 0.00 C ATOM 329 CG GLU A 23 7.436 2.779 9.360 1.00 0.00 C ATOM 330 CD GLU A 23 8.521 2.545 10.393 1.00 0.00 C ATOM 331 OE1 GLU A 23 8.864 3.499 11.122 1.00 0.00 O ATOM 332 OE2 GLU A 23 9.026 1.405 10.473 1.00 0.00 O ATOM 0 H GLU A 23 7.067 3.576 6.312 1.00 0.00 H new ATOM 0 HA GLU A 23 5.432 4.134 8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.369 4.060 7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.874 4.872 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.461 2.721 9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.470 1.983 8.616 1.00 0.00 H new ATOM 339 N PRO A 24 7.090 6.825 7.436 1.00 0.00 N ATOM 340 CA PRO A 24 7.105 8.291 7.445 1.00 0.00 C ATOM 341 C PRO A 24 5.949 8.886 6.648 1.00 0.00 C ATOM 342 O PRO A 24 5.735 10.099 6.659 1.00 0.00 O ATOM 343 CB PRO A 24 8.442 8.636 6.785 1.00 0.00 C ATOM 344 CG PRO A 24 8.757 7.459 5.928 1.00 0.00 C ATOM 345 CD PRO A 24 8.198 6.262 6.646 1.00 0.00 C ATOM 0 HA PRO A 24 6.995 8.694 8.452 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.367 9.548 6.193 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.220 8.803 7.530 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.310 7.565 4.940 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.833 7.359 5.782 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.848 5.502 5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.946 5.790 7.283 1.00 0.00 H new ATOM 353 N TRP A 25 5.206 8.027 5.960 1.00 0.00 N ATOM 354 CA TRP A 25 4.071 8.469 5.159 1.00 0.00 C ATOM 355 C TRP A 25 2.753 8.136 5.850 1.00 0.00 C ATOM 356 O TRP A 25 1.733 8.780 5.606 1.00 0.00 O ATOM 357 CB TRP A 25 4.113 7.819 3.775 1.00 0.00 C ATOM 358 CG TRP A 25 4.870 8.625 2.763 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.389 9.662 2.016 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.241 8.458 2.386 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.380 10.150 1.197 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.525 9.429 1.406 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.257 7.584 2.783 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.782 9.547 0.819 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.503 7.702 2.199 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.758 8.678 1.226 1.00 0.00 C ATOM 0 H TRP A 25 5.369 7.020 5.941 1.00 0.00 H new ATOM 0 HA TRP A 25 4.138 9.551 5.047 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.569 6.833 3.858 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.093 7.669 3.421 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.379 10.043 2.062 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.278 10.924 0.540 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.071 6.830 3.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.980 10.298 0.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.295 7.031 2.497 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.743 8.746 0.789 1.00 0.00 H new ATOM 377 N PHE A 26 2.782 7.127 6.715 1.00 0.00 N ATOM 378 CA PHE A 26 1.589 6.709 7.441 1.00 0.00 C ATOM 379 C PHE A 26 1.854 6.665 8.943 1.00 0.00 C ATOM 380 O PHE A 26 1.020 7.084 9.746 1.00 0.00 O ATOM 381 CB PHE A 26 1.125 5.335 6.954 1.00 0.00 C ATOM 382 CG PHE A 26 0.438 5.373 5.619 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.522 6.334 5.346 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.751 4.447 4.637 1.00 0.00 C ATOM 385 CE1 PHE A 26 -1.157 6.372 4.119 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.120 4.481 3.407 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.835 5.444 3.148 1.00 0.00 C ATOM 0 H PHE A 26 3.618 6.584 6.930 1.00 0.00 H new ATOM 0 HA PHE A 26 0.803 7.440 7.249 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.987 4.670 6.891 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.446 4.907 7.691 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.777 7.062 6.101 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.496 3.690 4.834 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.904 7.126 3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.374 3.755 2.649 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.329 5.472 2.188 1.00 0.00 H new ATOM 397 N LYS A 27 3.023 6.155 9.317 1.00 0.00 N ATOM 398 CA LYS A 27 3.401 6.056 10.722 1.00 0.00 C ATOM 399 C LYS A 27 3.824 7.416 11.268 1.00 0.00 C ATOM 400 O LYS A 27 4.576 8.147 10.625 1.00 0.00 O ATOM 401 CB LYS A 27 4.540 5.049 10.895 1.00 0.00 C ATOM 402 CG LYS A 27 4.653 4.495 12.304 1.00 0.00 C ATOM 403 CD LYS A 27 5.886 3.621 12.463 1.00 0.00 C ATOM 404 CE LYS A 27 6.398 3.634 13.895 1.00 0.00 C ATOM 405 NZ LYS A 27 7.425 2.580 14.127 1.00 0.00 N ATOM 0 H LYS A 27 3.725 5.804 8.666 1.00 0.00 H new ATOM 0 HA LYS A 27 2.532 5.713 11.283 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.392 4.223 10.200 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.481 5.528 10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.695 5.318 13.017 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.761 3.914 12.540 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.649 2.598 12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.670 3.971 11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.824 4.612 14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.564 3.485 14.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.749 2.622 15.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.012 1.645 13.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.233 2.737 13.491 1.00 0.00 H new ATOM 419 N ALA A 28 3.336 7.748 12.459 1.00 0.00 N ATOM 420 CA ALA A 28 3.666 9.018 13.094 1.00 0.00 C ATOM 421 C ALA A 28 5.144 9.349 12.922 1.00 0.00 C ATOM 422 O ALA A 28 5.979 8.473 12.696 1.00 0.00 O ATOM 423 CB ALA A 28 3.299 8.982 14.570 1.00 0.00 C ATOM 0 H ALA A 28 2.710 7.154 13.004 1.00 0.00 H new ATOM 0 HA ALA A 28 3.086 9.801 12.606 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.551 9.937 15.031 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.229 8.800 14.675 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.853 8.183 15.063 1.00 0.00 H new ATOM 429 N PRO A 29 5.478 10.644 13.030 1.00 0.00 N ATOM 430 CA PRO A 29 4.492 11.695 13.299 1.00 0.00 C ATOM 431 C PRO A 29 3.561 11.933 12.115 1.00 0.00 C ATOM 432 O PRO A 29 2.655 12.762 12.183 1.00 0.00 O ATOM 433 CB PRO A 29 5.355 12.933 13.557 1.00 0.00 C ATOM 434 CG PRO A 29 6.626 12.667 12.828 1.00 0.00 C ATOM 435 CD PRO A 29 6.842 11.181 12.899 1.00 0.00 C ATOM 0 HA PRO A 29 3.835 11.435 14.129 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.870 13.837 13.190 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.533 13.077 14.623 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.560 13.002 11.793 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.457 13.204 13.285 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.338 10.804 12.005 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.466 10.906 13.750 1.00 0.00 H new ATOM 443 N ASN A 30 3.792 11.201 11.030 1.00 0.00 N ATOM 444 CA ASN A 30 2.973 11.333 9.830 1.00 0.00 C ATOM 445 C ASN A 30 1.674 10.545 9.969 1.00 0.00 C ATOM 446 O ASN A 30 1.617 9.539 10.677 1.00 0.00 O ATOM 447 CB ASN A 30 3.748 10.848 8.603 1.00 0.00 C ATOM 448 CG ASN A 30 4.550 11.957 7.951 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.200 12.441 6.874 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.634 12.364 8.601 1.00 0.00 N ATOM 0 H ASN A 30 4.539 10.511 10.957 1.00 0.00 H new ATOM 0 HA ASN A 30 2.726 12.387 9.702 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.420 10.042 8.896 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.050 10.433 7.876 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.214 13.106 8.210 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.886 11.934 9.491 1.00 0.00 H new ATOM 457 N LYS A 31 0.632 11.009 9.288 1.00 0.00 N ATOM 458 CA LYS A 31 -0.667 10.349 9.332 1.00 0.00 C ATOM 459 C LYS A 31 -1.645 11.006 8.364 1.00 0.00 C ATOM 460 O LYS A 31 -1.378 12.083 7.832 1.00 0.00 O ATOM 461 CB LYS A 31 -1.235 10.389 10.753 1.00 0.00 C ATOM 462 CG LYS A 31 -1.148 11.759 11.404 1.00 0.00 C ATOM 463 CD LYS A 31 -2.279 11.978 12.394 1.00 0.00 C ATOM 464 CE LYS A 31 -3.541 12.465 11.699 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.552 12.965 12.671 1.00 0.00 N ATOM 0 H LYS A 31 0.662 11.841 8.698 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.529 9.310 9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.278 10.074 10.727 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.699 9.668 11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.191 11.860 11.916 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.181 12.531 10.635 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.488 11.047 12.921 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.971 12.706 13.144 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.286 13.261 10.999 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.971 11.651 11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.504 12.690 12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.366 12.553 13.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.493 14.002 12.731 1.00 0.00 H new ATOM 479 N GLY A 32 -2.781 10.352 8.141 1.00 0.00 N ATOM 480 CA GLY A 32 -3.782 10.889 7.238 1.00 0.00 C ATOM 481 C GLY A 32 -4.494 9.807 6.451 1.00 0.00 C ATOM 482 O GLY A 32 -4.528 8.647 6.865 1.00 0.00 O ATOM 0 H GLY A 32 -3.026 9.460 8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.514 11.459 7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.307 11.584 6.546 1.00 0.00 H new ATOM 486 N THR A 33 -5.067 10.185 5.312 1.00 0.00 N ATOM 487 CA THR A 33 -5.784 9.239 4.467 1.00 0.00 C ATOM 488 C THR A 33 -4.961 8.864 3.240 1.00 0.00 C ATOM 489 O THR A 33 -3.929 9.475 2.962 1.00 0.00 O ATOM 490 CB THR A 33 -7.139 9.811 4.007 1.00 0.00 C ATOM 491 OG1 THR A 33 -6.945 11.084 3.380 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.091 9.959 5.184 1.00 0.00 C ATOM 0 H THR A 33 -5.048 11.140 4.954 1.00 0.00 H new ATOM 0 HA THR A 33 -5.960 8.348 5.069 1.00 0.00 H new ATOM 0 HB THR A 33 -7.578 9.117 3.291 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.694 11.268 2.775 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.041 10.364 4.835 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.259 8.984 5.641 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.657 10.635 5.921 1.00 0.00 H new ATOM 500 N PHE A 34 -5.424 7.856 2.508 1.00 0.00 N ATOM 501 CA PHE A 34 -4.730 7.399 1.310 1.00 0.00 C ATOM 502 C PHE A 34 -5.630 6.498 0.470 1.00 0.00 C ATOM 503 O PHE A 34 -6.733 6.144 0.886 1.00 0.00 O ATOM 504 CB PHE A 34 -3.451 6.650 1.690 1.00 0.00 C ATOM 505 CG PHE A 34 -3.677 5.539 2.674 1.00 0.00 C ATOM 506 CD1 PHE A 34 -3.989 5.818 3.995 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.578 4.215 2.279 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.198 4.798 4.904 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.787 3.190 3.183 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.096 3.482 4.497 1.00 0.00 C ATOM 0 H PHE A 34 -6.277 7.340 2.724 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.467 8.275 0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.999 6.239 0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.737 7.358 2.111 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.070 6.845 4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.335 3.981 1.253 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.441 5.030 5.931 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.709 2.162 2.862 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.258 2.683 5.205 1.00 0.00 H new ATOM 520 N GLN A 35 -5.151 6.132 -0.715 1.00 0.00 N ATOM 521 CA GLN A 35 -5.912 5.273 -1.614 1.00 0.00 C ATOM 522 C GLN A 35 -5.003 4.258 -2.298 1.00 0.00 C ATOM 523 O GLN A 35 -4.092 4.628 -3.041 1.00 0.00 O ATOM 524 CB GLN A 35 -6.638 6.115 -2.664 1.00 0.00 C ATOM 525 CG GLN A 35 -5.733 7.101 -3.385 1.00 0.00 C ATOM 526 CD GLN A 35 -6.378 7.686 -4.626 1.00 0.00 C ATOM 527 OE1 GLN A 35 -7.063 8.707 -4.562 1.00 0.00 O ATOM 528 NE2 GLN A 35 -6.162 7.040 -5.766 1.00 0.00 N ATOM 0 H GLN A 35 -4.240 6.417 -1.074 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.648 4.731 -1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.095 5.451 -3.397 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.448 6.663 -2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.467 7.909 -2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.806 6.600 -3.664 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.588 6.197 -5.774 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.570 7.387 -6.634 1.00 0.00 H new ATOM 537 N ILE A 36 -5.254 2.979 -2.044 1.00 0.00 N ATOM 538 CA ILE A 36 -4.458 1.911 -2.636 1.00 0.00 C ATOM 539 C ILE A 36 -5.060 1.445 -3.958 1.00 0.00 C ATOM 540 O ILE A 36 -6.273 1.269 -4.072 1.00 0.00 O ATOM 541 CB ILE A 36 -4.337 0.705 -1.686 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.629 1.116 -0.393 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.591 -0.432 -2.367 1.00 0.00 C ATOM 544 CD1 ILE A 36 -3.728 0.080 0.705 1.00 0.00 C ATOM 0 H ILE A 36 -6.003 2.656 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.464 2.321 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.339 0.357 -1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.578 1.306 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.056 2.053 -0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.513 -1.277 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.133 -0.738 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.592 -0.097 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.204 0.438 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.776 -0.093 0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.275 -0.852 0.368 1.00 0.00 H new ATOM 556 N VAL A 37 -4.203 1.245 -4.954 1.00 0.00 N ATOM 557 CA VAL A 37 -4.649 0.796 -6.267 1.00 0.00 C ATOM 558 C VAL A 37 -3.735 -0.294 -6.815 1.00 0.00 C ATOM 559 O VAL A 37 -2.514 -0.140 -6.840 1.00 0.00 O ATOM 560 CB VAL A 37 -4.699 1.962 -7.272 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.119 1.465 -8.647 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.641 3.050 -6.779 1.00 0.00 C ATOM 0 H VAL A 37 -3.196 1.387 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.654 0.393 -6.139 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.700 2.389 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.149 2.303 -9.343 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.402 0.724 -9.001 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.108 1.011 -8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.664 3.866 -7.501 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.644 2.638 -6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.291 3.426 -5.818 1.00 0.00 H new ATOM 572 N TYR A 38 -4.334 -1.395 -7.255 1.00 0.00 N ATOM 573 CA TYR A 38 -3.574 -2.512 -7.802 1.00 0.00 C ATOM 574 C TYR A 38 -3.460 -2.404 -9.319 1.00 0.00 C ATOM 575 O TYR A 38 -4.419 -2.667 -10.046 1.00 0.00 O ATOM 576 CB TYR A 38 -4.233 -3.839 -7.422 1.00 0.00 C ATOM 577 CG TYR A 38 -3.578 -5.045 -8.058 1.00 0.00 C ATOM 578 CD1 TYR A 38 -2.399 -5.572 -7.544 1.00 0.00 C ATOM 579 CD2 TYR A 38 -4.139 -5.657 -9.172 1.00 0.00 C ATOM 580 CE1 TYR A 38 -1.798 -6.673 -8.123 1.00 0.00 C ATOM 581 CE2 TYR A 38 -3.545 -6.759 -9.756 1.00 0.00 C ATOM 582 CZ TYR A 38 -2.374 -7.263 -9.228 1.00 0.00 C ATOM 583 OH TYR A 38 -1.778 -8.360 -9.807 1.00 0.00 O ATOM 0 H TYR A 38 -5.344 -1.538 -7.243 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.571 -2.477 -7.378 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.206 -3.951 -6.338 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.283 -3.810 -7.714 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.945 -5.113 -6.678 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.055 -5.265 -9.588 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.881 -7.070 -7.712 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.995 -7.224 -10.621 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.311 -8.655 -10.575 1.00 0.00 H new ATOM 593 N LYS A 39 -2.281 -2.015 -9.792 1.00 0.00 N ATOM 594 CA LYS A 39 -2.039 -1.873 -11.222 1.00 0.00 C ATOM 595 C LYS A 39 -1.207 -3.036 -11.752 1.00 0.00 C ATOM 596 O LYS A 39 -0.028 -3.169 -11.423 1.00 0.00 O ATOM 597 CB LYS A 39 -1.326 -0.550 -11.511 1.00 0.00 C ATOM 598 CG LYS A 39 -2.093 0.671 -11.034 1.00 0.00 C ATOM 599 CD LYS A 39 -1.551 1.948 -11.654 1.00 0.00 C ATOM 600 CE LYS A 39 -2.237 2.261 -12.975 1.00 0.00 C ATOM 601 NZ LYS A 39 -1.577 1.574 -14.119 1.00 0.00 N ATOM 0 H LYS A 39 -1.477 -1.792 -9.205 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.004 -1.878 -11.730 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.346 -0.563 -11.033 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.156 -0.465 -12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.147 0.561 -11.288 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.032 0.739 -9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.694 2.779 -10.963 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.478 1.849 -11.815 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.282 1.956 -12.923 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.227 3.338 -13.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.572 2.204 -14.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.599 1.333 -13.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.098 0.704 -14.349 1.00 0.00 H new ATOM 760 N GLU A 49 -6.787 -8.723 -4.231 1.00 0.00 N ATOM 761 CA GLU A 49 -7.502 -8.467 -2.987 1.00 0.00 C ATOM 762 C GLU A 49 -6.588 -8.668 -1.782 1.00 0.00 C ATOM 763 O GLU A 49 -6.501 -7.808 -0.906 1.00 0.00 O ATOM 764 CB GLU A 49 -8.721 -9.386 -2.875 1.00 0.00 C ATOM 765 CG GLU A 49 -8.378 -10.864 -2.960 1.00 0.00 C ATOM 766 CD GLU A 49 -9.610 -11.748 -2.990 1.00 0.00 C ATOM 767 OE1 GLU A 49 -10.570 -11.451 -2.248 1.00 0.00 O ATOM 768 OE2 GLU A 49 -9.614 -12.735 -3.754 1.00 0.00 O ATOM 0 HA GLU A 49 -7.837 -7.430 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.226 -9.193 -1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.426 -9.139 -3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.784 -11.044 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.759 -11.139 -2.106 1.00 0.00 H new ATOM 775 N GLU A 50 -5.908 -9.810 -1.746 1.00 0.00 N ATOM 776 CA GLU A 50 -5.001 -10.124 -0.648 1.00 0.00 C ATOM 777 C GLU A 50 -3.940 -9.039 -0.492 1.00 0.00 C ATOM 778 O GLU A 50 -3.615 -8.629 0.623 1.00 0.00 O ATOM 779 CB GLU A 50 -4.331 -11.479 -0.883 1.00 0.00 C ATOM 780 CG GLU A 50 -5.162 -12.660 -0.409 1.00 0.00 C ATOM 781 CD GLU A 50 -5.782 -12.427 0.955 1.00 0.00 C ATOM 782 OE1 GLU A 50 -5.043 -12.486 1.960 1.00 0.00 O ATOM 783 OE2 GLU A 50 -7.005 -12.185 1.018 1.00 0.00 O ATOM 0 H GLU A 50 -5.968 -10.532 -2.464 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.585 -10.171 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.126 -11.594 -1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.369 -11.493 -0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.952 -12.858 -1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.534 -13.550 -0.371 1.00 0.00 H new ATOM 790 N VAL A 51 -3.402 -8.579 -1.617 1.00 0.00 N ATOM 791 CA VAL A 51 -2.377 -7.542 -1.606 1.00 0.00 C ATOM 792 C VAL A 51 -2.945 -6.214 -1.119 1.00 0.00 C ATOM 793 O VAL A 51 -2.529 -5.691 -0.085 1.00 0.00 O ATOM 794 CB VAL A 51 -1.765 -7.344 -3.006 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.721 -6.238 -2.980 1.00 0.00 C ATOM 796 CG2 VAL A 51 -1.163 -8.645 -3.513 1.00 0.00 C ATOM 0 H VAL A 51 -3.659 -8.908 -2.548 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.597 -7.874 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.558 -7.046 -3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.299 -6.112 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.187 -5.305 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.073 -6.503 -2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.735 -8.487 -4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.381 -8.975 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.940 -9.407 -3.571 1.00 0.00 H new ATOM 806 N ILE A 52 -3.898 -5.672 -1.871 1.00 0.00 N ATOM 807 CA ILE A 52 -4.524 -4.405 -1.514 1.00 0.00 C ATOM 808 C ILE A 52 -5.045 -4.434 -0.081 1.00 0.00 C ATOM 809 O ILE A 52 -4.490 -3.783 0.804 1.00 0.00 O ATOM 810 CB ILE A 52 -5.687 -4.065 -2.465 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.169 -3.877 -3.892 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.411 -2.815 -1.989 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.270 -3.748 -4.922 1.00 0.00 C ATOM 0 H ILE A 52 -4.253 -6.091 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.756 -3.637 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.394 -4.894 -2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.542 -2.986 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.534 -4.724 -4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.230 -2.587 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.808 -2.984 -0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.714 -1.977 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.830 -3.617 -5.911 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.883 -4.649 -4.914 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.891 -2.884 -4.684 1.00 0.00 H new ATOM 825 N ARG A 53 -6.113 -5.193 0.139 1.00 0.00 N ATOM 826 CA ARG A 53 -6.709 -5.307 1.465 1.00 0.00 C ATOM 827 C ARG A 53 -5.630 -5.357 2.543 1.00 0.00 C ATOM 828 O ARG A 53 -5.757 -4.724 3.590 1.00 0.00 O ATOM 829 CB ARG A 53 -7.587 -6.557 1.547 1.00 0.00 C ATOM 830 CG ARG A 53 -8.861 -6.461 0.725 1.00 0.00 C ATOM 831 CD ARG A 53 -9.854 -5.492 1.348 1.00 0.00 C ATOM 832 NE ARG A 53 -10.491 -6.050 2.538 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.977 -5.308 3.527 1.00 0.00 C ATOM 834 NH1 ARG A 53 -10.900 -3.986 3.468 1.00 0.00 N ATOM 835 NH2 ARG A 53 -11.542 -5.889 4.577 1.00 0.00 N ATOM 0 H ARG A 53 -6.583 -5.738 -0.583 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.328 -4.426 1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.011 -7.418 1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.850 -6.738 2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.619 -6.135 -0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.317 -7.448 0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.341 -4.567 1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.618 -5.235 0.615 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.567 -7.064 2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.467 -3.536 2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.274 -3.419 4.229 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.603 -6.906 4.625 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.915 -5.319 5.336 1.00 0.00 H new ATOM 849 N GLU A 54 -4.571 -6.116 2.278 1.00 0.00 N ATOM 850 CA GLU A 54 -3.472 -6.250 3.227 1.00 0.00 C ATOM 851 C GLU A 54 -2.745 -4.920 3.409 1.00 0.00 C ATOM 852 O GLU A 54 -2.764 -4.332 4.491 1.00 0.00 O ATOM 853 CB GLU A 54 -2.487 -7.321 2.753 1.00 0.00 C ATOM 854 CG GLU A 54 -1.199 -7.361 3.557 1.00 0.00 C ATOM 855 CD GLU A 54 -1.321 -8.201 4.814 1.00 0.00 C ATOM 856 OE1 GLU A 54 -1.121 -9.431 4.727 1.00 0.00 O ATOM 857 OE2 GLU A 54 -1.618 -7.629 5.883 1.00 0.00 O ATOM 0 H GLU A 54 -4.451 -6.647 1.415 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.890 -6.551 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.970 -8.297 2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.246 -7.143 1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.399 -7.760 2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.914 -6.345 3.830 1.00 0.00 H new ATOM 864 N LEU A 55 -2.105 -4.452 2.343 1.00 0.00 N ATOM 865 CA LEU A 55 -1.371 -3.192 2.384 1.00 0.00 C ATOM 866 C LEU A 55 -2.078 -2.178 3.278 1.00 0.00 C ATOM 867 O LEU A 55 -1.441 -1.481 4.067 1.00 0.00 O ATOM 868 CB LEU A 55 -1.216 -2.623 0.972 1.00 0.00 C ATOM 869 CG LEU A 55 0.034 -3.058 0.207 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.141 -2.816 -1.284 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.260 -2.322 0.728 1.00 0.00 C ATOM 0 H LEU A 55 -2.079 -4.926 1.440 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.383 -3.389 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.092 -2.908 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.217 -1.535 1.038 1.00 0.00 H new ATOM 0 HG LEU A 55 0.181 -4.126 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.759 -3.132 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.995 -3.388 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.313 -1.755 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.141 -2.644 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.122 -1.248 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.397 -2.546 1.786 1.00 0.00 H new ATOM 883 N ALA A 56 -3.399 -2.105 3.151 1.00 0.00 N ATOM 884 CA ALA A 56 -4.193 -1.180 3.950 1.00 0.00 C ATOM 885 C ALA A 56 -4.199 -1.589 5.419 1.00 0.00 C ATOM 886 O ALA A 56 -4.011 -0.757 6.305 1.00 0.00 O ATOM 887 CB ALA A 56 -5.616 -1.108 3.415 1.00 0.00 C ATOM 0 H ALA A 56 -3.942 -2.675 2.502 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.738 -0.192 3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.198 -0.414 4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.599 -0.762 2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.072 -2.097 3.459 1.00 0.00 H new ATOM 893 N GLY A 57 -4.416 -2.877 5.669 1.00 0.00 N ATOM 894 CA GLY A 57 -4.443 -3.373 7.033 1.00 0.00 C ATOM 895 C GLY A 57 -3.180 -3.032 7.798 1.00 0.00 C ATOM 896 O GLY A 57 -3.190 -2.967 9.028 1.00 0.00 O ATOM 0 H GLY A 57 -4.573 -3.585 4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.304 -2.952 7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.576 -4.455 7.021 1.00 0.00 H new ATOM 900 N ILE A 58 -2.089 -2.817 7.071 1.00 0.00 N ATOM 901 CA ILE A 58 -0.812 -2.482 7.690 1.00 0.00 C ATOM 902 C ILE A 58 -0.739 -0.998 8.030 1.00 0.00 C ATOM 903 O ILE A 58 -0.396 -0.623 9.151 1.00 0.00 O ATOM 904 CB ILE A 58 0.370 -2.847 6.773 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.350 -4.342 6.449 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.687 -2.459 7.429 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.275 -4.727 5.315 1.00 0.00 C ATOM 0 H ILE A 58 -2.063 -2.869 6.053 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.743 -3.066 8.608 1.00 0.00 H new ATOM 0 HB ILE A 58 0.273 -2.292 5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.629 -4.903 7.341 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.668 -4.636 6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.514 -2.723 6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.699 -1.385 7.614 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.793 -2.991 8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.209 -5.801 5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.983 -4.194 4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.300 -4.464 5.576 1.00 0.00 H new ATOM 919 N VAL A 59 -1.065 -0.156 7.054 1.00 0.00 N ATOM 920 CA VAL A 59 -1.038 1.289 7.250 1.00 0.00 C ATOM 921 C VAL A 59 -1.563 1.666 8.631 1.00 0.00 C ATOM 922 O VAL A 59 -1.067 2.601 9.261 1.00 0.00 O ATOM 923 CB VAL A 59 -1.874 2.016 6.180 1.00 0.00 C ATOM 924 CG1 VAL A 59 -1.975 3.500 6.498 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.275 1.798 4.798 1.00 0.00 C ATOM 0 H VAL A 59 -1.351 -0.450 6.120 1.00 0.00 H new ATOM 0 HA VAL A 59 0.003 1.601 7.162 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.881 1.599 6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.569 3.997 5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.452 3.632 7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.976 3.936 6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.878 2.318 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.257 2.187 4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.260 0.732 4.572 1.00 0.00 H new ATOM 935 N CYS A 60 -2.568 0.932 9.096 1.00 0.00 N ATOM 936 CA CYS A 60 -3.161 1.189 10.404 1.00 0.00 C ATOM 937 C CYS A 60 -2.175 0.863 11.521 1.00 0.00 C ATOM 938 O CYS A 60 -1.868 1.711 12.361 1.00 0.00 O ATOM 939 CB CYS A 60 -4.438 0.367 10.578 1.00 0.00 C ATOM 940 SG CYS A 60 -5.177 0.490 12.224 1.00 0.00 S ATOM 0 H CYS A 60 -2.989 0.155 8.587 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.410 2.249 10.461 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.170 0.691 9.838 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.215 -0.679 10.369 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.253 -0.238 12.272 1.00 0.00 H new ATOM 946 N THR A 61 -1.683 -0.371 11.528 1.00 0.00 N ATOM 947 CA THR A 61 -0.734 -0.811 12.543 1.00 0.00 C ATOM 948 C THR A 61 0.267 0.290 12.874 1.00 0.00 C ATOM 949 O THR A 61 0.798 0.348 13.983 1.00 0.00 O ATOM 950 CB THR A 61 0.033 -2.067 12.090 1.00 0.00 C ATOM 951 OG1 THR A 61 0.439 -2.832 13.230 1.00 0.00 O ATOM 952 CG2 THR A 61 1.254 -1.688 11.266 1.00 0.00 C ATOM 0 H THR A 61 -1.926 -1.085 10.841 1.00 0.00 H new ATOM 0 HA THR A 61 -1.314 -1.051 13.434 1.00 0.00 H new ATOM 0 HB THR A 61 -0.632 -2.667 11.469 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.925 -3.630 12.933 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.780 -2.592 10.957 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.939 -1.132 10.383 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.920 -1.068 11.866 1.00 0.00 H new ATOM 960 N LEU A 62 0.520 1.163 11.905 1.00 0.00 N ATOM 961 CA LEU A 62 1.458 2.265 12.093 1.00 0.00 C ATOM 962 C LEU A 62 0.846 3.358 12.963 1.00 0.00 C ATOM 963 O LEU A 62 1.278 3.580 14.093 1.00 0.00 O ATOM 964 CB LEU A 62 1.872 2.845 10.740 1.00 0.00 C ATOM 965 CG LEU A 62 2.427 1.848 9.723 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.401 2.442 8.323 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.841 1.431 10.102 1.00 0.00 C ATOM 0 H LEU A 62 0.089 1.129 10.981 1.00 0.00 H new ATOM 0 HA LEU A 62 2.341 1.876 12.599 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.006 3.339 10.299 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.625 3.614 10.912 1.00 0.00 H new ATOM 0 HG LEU A 62 1.794 0.961 9.730 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.800 1.718 7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.375 2.689 8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.010 3.346 8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.220 0.721 9.367 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.486 2.310 10.124 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.831 0.963 11.087 1.00 0.00 H new ATOM 979 N ASN A 63 -0.164 4.037 12.428 1.00 0.00 N ATOM 980 CA ASN A 63 -0.837 5.106 13.156 1.00 0.00 C ATOM 981 C ASN A 63 -2.352 4.954 13.069 1.00 0.00 C ATOM 982 O ASN A 63 -2.921 4.918 11.977 1.00 0.00 O ATOM 983 CB ASN A 63 -0.417 6.470 12.604 1.00 0.00 C ATOM 984 CG ASN A 63 -0.448 7.556 13.662 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.174 7.455 14.651 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.343 8.604 13.458 1.00 0.00 N ATOM 0 H ASN A 63 -0.534 3.866 11.493 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.543 5.039 14.204 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.589 6.398 12.191 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.079 6.747 11.784 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.365 9.366 14.136 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.929 8.646 12.624 1.00 0.00 H new ATOM 993 N SER A 64 -3.001 4.866 14.226 1.00 0.00 N ATOM 994 CA SER A 64 -4.450 4.715 14.280 1.00 0.00 C ATOM 995 C SER A 64 -5.142 5.824 13.494 1.00 0.00 C ATOM 996 O SER A 64 -6.211 5.618 12.920 1.00 0.00 O ATOM 997 CB SER A 64 -4.931 4.728 15.732 1.00 0.00 C ATOM 998 OG SER A 64 -4.525 3.554 16.414 1.00 0.00 O ATOM 0 H SER A 64 -2.546 4.897 15.138 1.00 0.00 H new ATOM 0 HA SER A 64 -4.708 3.758 13.827 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.533 5.605 16.242 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.018 4.810 15.758 1.00 0.00 H new ATOM 0 HG SER A 64 -4.843 3.587 17.340 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.523 7.001 13.473 1.00 0.00 N ATOM 1005 CA GLU A 65 -5.080 8.143 12.758 1.00 0.00 C ATOM 1006 C GLU A 65 -5.167 7.858 11.261 1.00 0.00 C ATOM 1007 O GLU A 65 -5.980 8.450 10.552 1.00 0.00 O ATOM 1008 CB GLU A 65 -4.228 9.390 13.002 1.00 0.00 C ATOM 1009 CG GLU A 65 -4.263 9.879 14.440 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.512 10.679 14.754 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.602 10.073 14.822 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -5.400 11.910 14.931 1.00 0.00 O ATOM 0 H GLU A 65 -3.637 7.188 13.942 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.087 8.320 13.136 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.196 9.174 12.725 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.573 10.190 12.347 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.206 9.023 15.112 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.384 10.494 14.632 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.323 6.947 10.788 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.303 6.584 9.376 1.00 0.00 C ATOM 1021 C ASN A 66 -5.613 5.917 8.967 1.00 0.00 C ATOM 1022 O ASN A 66 -6.073 4.977 9.615 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.129 5.647 9.085 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.802 6.226 9.537 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.604 7.441 9.519 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.886 5.356 9.945 1.00 0.00 N ATOM 0 H ASN A 66 -3.644 6.447 11.362 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.183 7.498 8.794 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.296 4.693 9.586 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.088 5.442 8.015 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.026 5.686 10.261 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.094 4.357 9.943 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.210 6.410 7.887 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.466 5.862 7.389 1.00 0.00 C ATOM 1035 C LYS A 67 -7.547 5.981 5.871 1.00 0.00 C ATOM 1036 O LYS A 67 -7.732 7.072 5.332 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.652 6.585 8.032 1.00 0.00 C ATOM 1038 CG LYS A 67 -8.955 6.120 9.445 1.00 0.00 C ATOM 1039 CD LYS A 67 -10.394 6.416 9.834 1.00 0.00 C ATOM 1040 CE LYS A 67 -10.526 7.789 10.476 1.00 0.00 C ATOM 1041 NZ LYS A 67 -10.720 8.860 9.460 1.00 0.00 N ATOM 0 H LYS A 67 -5.844 7.189 7.340 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.504 4.806 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.449 7.656 8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.536 6.437 7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.769 5.049 9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.280 6.613 10.144 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.029 6.364 8.950 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.749 5.653 10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.369 7.787 11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.633 8.003 11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.039 9.731 9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.821 9.041 8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.436 8.557 8.769 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.410 4.850 5.185 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.470 4.827 3.729 1.00 0.00 C ATOM 1057 C VAL A 68 -8.833 5.292 3.228 1.00 0.00 C ATOM 1058 O VAL A 68 -9.854 4.662 3.500 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.187 3.417 3.177 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.111 2.395 3.823 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.332 3.398 1.663 1.00 0.00 C ATOM 0 H VAL A 68 -7.257 3.938 5.615 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.701 5.511 3.370 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.160 3.149 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.896 1.405 3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.952 2.391 4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.148 2.656 3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.128 2.394 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.347 3.687 1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.624 4.099 1.221 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.840 6.399 2.493 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.078 6.949 1.952 1.00 0.00 C ATOM 1073 C ASP A 69 -10.031 6.994 0.428 1.00 0.00 C ATOM 1074 O ASP A 69 -8.966 7.167 -0.167 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.324 8.352 2.509 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.798 8.701 2.567 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.573 7.909 3.142 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.177 9.767 2.035 1.00 0.00 O ATOM 0 H ASP A 69 -8.003 6.933 2.258 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.899 6.298 2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.897 8.423 3.509 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.805 9.082 1.889 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.192 6.838 -0.199 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.284 6.860 -1.655 1.00 0.00 C ATOM 1085 C LEU A 70 -11.979 8.129 -2.137 1.00 0.00 C ATOM 1086 O LEU A 70 -12.221 8.302 -3.332 1.00 0.00 O ATOM 1087 CB LEU A 70 -12.040 5.628 -2.157 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.438 4.273 -1.784 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.347 3.142 -2.238 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -10.050 4.121 -2.390 1.00 0.00 C ATOM 0 H LEU A 70 -12.082 6.695 0.278 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.272 6.846 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.058 5.669 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.108 5.686 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.346 4.224 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.902 2.185 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.320 3.241 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.472 3.187 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.637 3.151 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.117 4.191 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.401 4.912 -2.015 1.00 0.00 H new ATOM 1102 N THR A 71 -12.297 9.016 -1.200 1.00 0.00 N ATOM 1103 CA THR A 71 -12.964 10.270 -1.529 1.00 0.00 C ATOM 1104 C THR A 71 -12.015 11.453 -1.375 1.00 0.00 C ATOM 1105 O THR A 71 -11.809 12.221 -2.314 1.00 0.00 O ATOM 1106 CB THR A 71 -14.200 10.499 -0.639 1.00 0.00 C ATOM 1107 OG1 THR A 71 -15.019 9.324 -0.627 1.00 0.00 O ATOM 1108 CG2 THR A 71 -15.013 11.684 -1.138 1.00 0.00 C ATOM 0 H THR A 71 -12.103 8.889 -0.207 1.00 0.00 H new ATOM 0 HA THR A 71 -13.283 10.196 -2.569 1.00 0.00 H new ATOM 0 HB THR A 71 -13.857 10.713 0.373 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.802 9.477 -0.058 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.881 11.827 -0.494 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.396 12.582 -1.120 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.346 11.493 -2.158 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.440 11.594 -0.185 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.512 12.685 0.091 1.00 0.00 C ATOM 1118 C ASN A 72 -9.138 12.146 0.475 1.00 0.00 C ATOM 1119 O ASN A 72 -8.585 12.477 1.524 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.056 13.573 1.212 1.00 0.00 C ATOM 1121 CG ASN A 72 -11.916 14.706 0.687 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -11.547 15.877 0.783 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -13.071 14.362 0.129 1.00 0.00 N ATOM 0 H ASN A 72 -11.600 10.967 0.603 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.408 13.280 -0.817 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.642 12.965 1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.223 13.986 1.781 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.693 15.081 -0.241 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.336 13.379 0.071 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.571 11.297 -0.395 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.254 10.695 -0.170 1.00 0.00 C ATOM 1132 C PRO A 73 -6.124 11.714 -0.279 1.00 0.00 C ATOM 1133 O PRO A 73 -6.032 12.448 -1.263 1.00 0.00 O ATOM 1134 CB PRO A 73 -7.144 9.654 -1.286 1.00 0.00 C ATOM 1135 CG PRO A 73 -8.041 10.157 -2.364 1.00 0.00 C ATOM 1136 CD PRO A 73 -9.173 10.859 -1.666 1.00 0.00 C ATOM 0 HA PRO A 73 -7.164 10.277 0.832 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.117 9.558 -1.638 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.455 8.668 -0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.509 10.839 -3.028 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.410 9.336 -2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.542 11.704 -2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.019 10.192 -1.501 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.268 11.753 0.737 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.145 12.683 0.753 1.00 0.00 C ATOM 1146 C GLN A 74 -2.920 12.069 0.084 1.00 0.00 C ATOM 1147 O GLN A 74 -2.139 12.767 -0.563 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.808 13.082 2.191 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.892 13.911 2.862 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.856 15.367 2.444 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -3.871 16.068 2.677 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -5.934 15.831 1.821 1.00 0.00 N ATOM 0 H GLN A 74 -5.330 11.152 1.559 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.434 13.573 0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.636 12.180 2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.876 13.647 2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.868 13.491 2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.777 13.845 3.944 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.728 15.215 1.648 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.967 16.804 1.515 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.758 10.760 0.243 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.626 10.053 -0.344 1.00 0.00 C ATOM 1163 C TYR A 75 -2.094 8.821 -1.113 1.00 0.00 C ATOM 1164 O TYR A 75 -2.729 7.928 -0.553 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.634 9.642 0.745 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.229 10.779 1.656 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.798 11.645 1.303 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -0.875 10.987 2.868 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.172 12.685 2.133 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.509 12.025 3.703 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.515 12.871 3.332 1.00 0.00 C ATOM 1172 OH TYR A 75 0.884 13.906 4.160 1.00 0.00 O ATOM 0 H TYR A 75 -3.396 10.167 0.774 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.130 10.728 -1.041 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.075 8.846 1.345 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.258 9.229 0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.313 11.503 0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.677 10.326 3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.974 13.348 1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.022 12.173 4.642 1.00 0.00 H new ATOM 0 HH TYR A 75 0.322 13.899 4.963 1.00 0.00 H new ATOM 1182 N THR A 76 -1.773 8.780 -2.403 1.00 0.00 N ATOM 1183 CA THR A 76 -2.159 7.659 -3.251 1.00 0.00 C ATOM 1184 C THR A 76 -1.031 6.640 -3.363 1.00 0.00 C ATOM 1185 O THR A 76 0.017 6.920 -3.947 1.00 0.00 O ATOM 1186 CB THR A 76 -2.550 8.133 -4.664 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.642 9.055 -4.587 1.00 0.00 O ATOM 1188 CG2 THR A 76 -2.937 6.953 -5.542 1.00 0.00 C ATOM 0 H THR A 76 -1.247 9.510 -2.883 1.00 0.00 H new ATOM 0 HA THR A 76 -3.023 7.189 -2.781 1.00 0.00 H new ATOM 0 HB THR A 76 -1.687 8.629 -5.109 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.883 9.352 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.209 7.312 -6.535 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.093 6.267 -5.623 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.786 6.433 -5.099 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.251 5.456 -2.801 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.253 4.394 -2.839 1.00 0.00 C ATOM 1198 C VAL A 77 -0.609 3.343 -3.884 1.00 0.00 C ATOM 1199 O VAL A 77 -1.452 2.477 -3.648 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.109 3.709 -1.467 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.915 4.440 -0.611 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.455 3.642 -0.762 1.00 0.00 C ATOM 0 H VAL A 77 -2.112 5.208 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 77 0.695 4.861 -3.105 1.00 0.00 H new ATOM 0 HB VAL A 77 0.244 2.690 -1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.004 3.942 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.882 4.432 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.594 5.471 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.335 3.155 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.839 4.651 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.157 3.071 -1.371 1.00 0.00 H new ATOM 1212 N VAL A 78 0.039 3.424 -5.042 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.207 2.478 -6.124 1.00 0.00 C ATOM 1214 C VAL A 78 0.861 1.390 -6.158 1.00 0.00 C ATOM 1215 O VAL A 78 2.028 1.643 -5.861 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.246 3.187 -7.491 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.196 4.374 -7.451 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.151 3.626 -7.902 1.00 0.00 C ATOM 0 H VAL A 78 0.738 4.135 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.178 2.023 -5.931 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.615 2.482 -8.236 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.210 4.862 -8.426 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.200 4.028 -7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.860 5.084 -6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.106 4.125 -8.870 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.550 4.315 -7.157 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.800 2.753 -7.974 1.00 0.00 H new ATOM 1228 N VAL A 79 0.452 0.179 -6.522 1.00 0.00 N ATOM 1229 CA VAL A 79 1.374 -0.948 -6.596 1.00 0.00 C ATOM 1230 C VAL A 79 1.412 -1.535 -8.003 1.00 0.00 C ATOM 1231 O VAL A 79 0.514 -2.276 -8.401 1.00 0.00 O ATOM 1232 CB VAL A 79 0.987 -2.057 -5.599 1.00 0.00 C ATOM 1233 CG1 VAL A 79 1.255 -1.608 -4.171 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.472 -2.448 -5.779 1.00 0.00 C ATOM 0 H VAL A 79 -0.511 -0.047 -6.770 1.00 0.00 H new ATOM 0 HA VAL A 79 2.362 -0.566 -6.337 1.00 0.00 H new ATOM 0 HB VAL A 79 1.602 -2.934 -5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.976 -2.404 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.315 -1.381 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.667 -0.716 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.729 -3.232 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.106 -1.578 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.628 -2.814 -6.794 1.00 0.00 H new ATOM 1244 N GLU A 80 2.458 -1.199 -8.751 1.00 0.00 N ATOM 1245 CA GLU A 80 2.613 -1.693 -10.114 1.00 0.00 C ATOM 1246 C GLU A 80 3.411 -2.993 -10.134 1.00 0.00 C ATOM 1247 O GLU A 80 4.191 -3.269 -9.222 1.00 0.00 O ATOM 1248 CB GLU A 80 3.305 -0.643 -10.985 1.00 0.00 C ATOM 1249 CG GLU A 80 3.315 -0.990 -12.465 1.00 0.00 C ATOM 1250 CD GLU A 80 3.877 0.127 -13.322 1.00 0.00 C ATOM 1251 OE1 GLU A 80 3.641 1.307 -12.990 1.00 0.00 O ATOM 1252 OE2 GLU A 80 4.554 -0.181 -14.326 1.00 0.00 O ATOM 0 H GLU A 80 3.211 -0.587 -8.436 1.00 0.00 H new ATOM 0 HA GLU A 80 1.620 -1.891 -10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.806 0.316 -10.849 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.332 -0.519 -10.643 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.906 -1.893 -12.619 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.299 -1.215 -12.789 1.00 0.00 H new ATOM 1259 N ILE A 81 3.209 -3.788 -11.179 1.00 0.00 N ATOM 1260 CA ILE A 81 3.910 -5.059 -11.319 1.00 0.00 C ATOM 1261 C ILE A 81 4.745 -5.089 -12.594 1.00 0.00 C ATOM 1262 O ILE A 81 4.213 -4.971 -13.699 1.00 0.00 O ATOM 1263 CB ILE A 81 2.927 -6.245 -11.333 1.00 0.00 C ATOM 1264 CG1 ILE A 81 2.072 -6.242 -10.065 1.00 0.00 C ATOM 1265 CG2 ILE A 81 3.684 -7.558 -11.466 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.884 -6.249 -8.788 1.00 0.00 C ATOM 0 H ILE A 81 2.566 -3.575 -11.941 1.00 0.00 H new ATOM 0 HA ILE A 81 4.568 -5.154 -10.455 1.00 0.00 H new ATOM 0 HB ILE A 81 2.266 -6.141 -12.193 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.429 -5.362 -10.072 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.418 -7.114 -10.075 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.976 -8.387 -11.474 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.253 -7.557 -12.396 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.366 -7.672 -10.623 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.212 -6.246 -7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.507 -7.143 -8.758 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.518 -5.363 -8.755 1.00 0.00 H new ATOM 1356 N CYS A 87 6.053 -2.772 -7.131 1.00 0.00 N ATOM 1357 CA CYS A 87 6.558 -1.407 -7.242 1.00 0.00 C ATOM 1358 C CYS A 87 5.585 -0.416 -6.611 1.00 0.00 C ATOM 1359 O CYS A 87 4.631 0.027 -7.251 1.00 0.00 O ATOM 1360 CB CYS A 87 6.793 -1.046 -8.709 1.00 0.00 C ATOM 1361 SG CYS A 87 8.332 -1.704 -9.393 1.00 0.00 S ATOM 0 HA CYS A 87 7.505 -1.351 -6.706 1.00 0.00 H new ATOM 0 HB2 CYS A 87 5.957 -1.417 -9.302 1.00 0.00 H new ATOM 0 HB3 CYS A 87 6.798 0.039 -8.809 1.00 0.00 H new ATOM 0 HG CYS A 87 8.441 -1.348 -10.639 1.00 0.00 H new ATOM 1367 N LEU A 88 5.833 -0.072 -5.351 1.00 0.00 N ATOM 1368 CA LEU A 88 4.979 0.866 -4.632 1.00 0.00 C ATOM 1369 C LEU A 88 5.347 2.307 -4.971 1.00 0.00 C ATOM 1370 O LEU A 88 6.510 2.700 -4.875 1.00 0.00 O ATOM 1371 CB LEU A 88 5.095 0.639 -3.124 1.00 0.00 C ATOM 1372 CG LEU A 88 4.213 -0.467 -2.542 1.00 0.00 C ATOM 1373 CD1 LEU A 88 4.879 -1.824 -2.708 1.00 0.00 C ATOM 1374 CD2 LEU A 88 3.914 -0.193 -1.075 1.00 0.00 C ATOM 0 H LEU A 88 6.619 -0.429 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 88 3.948 0.691 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.134 0.408 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.854 1.573 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 88 3.270 -0.479 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.237 -2.598 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.041 -2.022 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.837 -1.825 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.285 -0.990 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.848 -0.153 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.394 0.760 -0.982 1.00 0.00 H new ATOM 1386 N SER A 89 4.348 3.091 -5.365 1.00 0.00 N ATOM 1387 CA SER A 89 4.567 4.488 -5.719 1.00 0.00 C ATOM 1388 C SER A 89 3.606 5.398 -4.960 1.00 0.00 C ATOM 1389 O SER A 89 2.388 5.290 -5.103 1.00 0.00 O ATOM 1390 CB SER A 89 4.394 4.688 -7.226 1.00 0.00 C ATOM 1391 OG SER A 89 5.556 4.285 -7.930 1.00 0.00 O ATOM 0 H SER A 89 3.379 2.782 -5.447 1.00 0.00 H new ATOM 0 HA SER A 89 5.587 4.752 -5.440 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.536 4.115 -7.576 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.184 5.737 -7.435 1.00 0.00 H new ATOM 0 HG SER A 89 5.420 4.421 -8.891 1.00 0.00 H new ATOM 1397 N VAL A 90 4.162 6.294 -4.152 1.00 0.00 N ATOM 1398 CA VAL A 90 3.356 7.224 -3.371 1.00 0.00 C ATOM 1399 C VAL A 90 3.202 8.558 -4.092 1.00 0.00 C ATOM 1400 O VAL A 90 4.189 9.194 -4.462 1.00 0.00 O ATOM 1401 CB VAL A 90 3.973 7.473 -1.982 1.00 0.00 C ATOM 1402 CG1 VAL A 90 3.110 8.433 -1.177 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.158 6.159 -1.238 1.00 0.00 C ATOM 0 H VAL A 90 5.168 6.396 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 90 2.375 6.765 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 90 4.953 7.930 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.563 8.596 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.034 9.384 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.114 8.008 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.595 6.354 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.191 5.672 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.821 5.508 -1.808 1.00 0.00 H new ATOM 1413 N VAL A 91 1.956 8.978 -4.289 1.00 0.00 N ATOM 1414 CA VAL A 91 1.671 10.238 -4.966 1.00 0.00 C ATOM 1415 C VAL A 91 0.959 11.213 -4.035 1.00 0.00 C ATOM 1416 O VAL A 91 -0.150 10.948 -3.570 1.00 0.00 O ATOM 1417 CB VAL A 91 0.805 10.018 -6.220 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.488 11.347 -6.890 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.502 9.076 -7.190 1.00 0.00 C ATOM 0 H VAL A 91 1.128 8.464 -3.989 1.00 0.00 H new ATOM 0 HA VAL A 91 2.630 10.660 -5.266 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.135 9.559 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.125 11.172 -7.774 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.055 11.985 -6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.416 11.837 -7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.876 8.932 -8.070 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.458 9.505 -7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.673 8.115 -6.705 1.00 0.00 H new ATOM 1429 N LYS A 92 1.604 12.343 -3.766 1.00 0.00 N ATOM 1430 CA LYS A 92 1.033 13.361 -2.892 1.00 0.00 C ATOM 1431 C LYS A 92 0.155 14.326 -3.681 1.00 0.00 C ATOM 1432 O LYS A 92 0.653 15.129 -4.471 1.00 0.00 O ATOM 1433 CB LYS A 92 2.146 14.133 -2.179 1.00 0.00 C ATOM 1434 CG LYS A 92 1.717 14.730 -0.850 1.00 0.00 C ATOM 1435 CD LYS A 92 2.838 15.533 -0.211 1.00 0.00 C ATOM 1436 CE LYS A 92 4.004 14.641 0.187 1.00 0.00 C ATOM 1437 NZ LYS A 92 5.142 15.429 0.737 1.00 0.00 N ATOM 0 H LYS A 92 2.523 12.577 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 92 0.413 12.860 -2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.991 13.465 -2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.497 14.933 -2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.849 15.372 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.409 13.932 -0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.184 16.296 -0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.459 16.053 0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.670 13.917 0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.341 14.074 -0.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.917 14.785 0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.477 16.102 0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.828 15.950 1.580 1.00 0.00 H new