USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 568 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 Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0146 K(o=-0.015,f=-3.4!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 66 MET CE :methyl 160:sc= 0 (180deg=-0.474) USER MOD Single : A 68 TYR OH : rot 22:sc= 0.0535 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 160:sc= 0.311 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 116:sc= 0.167 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.134 K(o=-0.13,f=-1) USER MOD Single : A 85 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.17) USER MOD Single : A 86 THR OG1 : rot 44:sc= 0.0475 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -150:sc= 0.0466 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -12.509 12.495 -9.084 1.00 0.00 N ATOM 84 CA MET A 9 -12.486 11.210 -8.395 1.00 0.00 C ATOM 85 C MET A 9 -11.054 10.717 -8.211 1.00 0.00 C ATOM 86 O MET A 9 -10.431 10.227 -9.153 1.00 0.00 O ATOM 87 CB MET A 9 -13.298 10.174 -9.175 1.00 0.00 C ATOM 88 CG MET A 9 -14.743 10.584 -9.407 1.00 0.00 C ATOM 89 SD MET A 9 -15.693 9.322 -10.276 1.00 0.00 S ATOM 90 CE MET A 9 -15.583 9.917 -11.962 1.00 0.00 C ATOM 0 HA MET A 9 -12.934 11.346 -7.411 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.819 10.000 -10.139 1.00 0.00 H new ATOM 0 HB3 MET A 9 -13.280 9.228 -8.634 1.00 0.00 H new ATOM 0 HG2 MET A 9 -15.216 10.792 -8.447 1.00 0.00 H new ATOM 0 HG3 MET A 9 -14.766 11.510 -9.981 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.124 9.240 -12.623 1.00 0.00 H new ATOM 0 HE2 MET A 9 -16.021 10.913 -12.026 1.00 0.00 H new ATOM 0 HE3 MET A 9 -14.537 9.961 -12.265 1.00 0.00 H new ATOM 100 N ILE A 10 -10.539 10.850 -6.994 1.00 0.00 N ATOM 101 CA ILE A 10 -9.181 10.417 -6.687 1.00 0.00 C ATOM 102 C ILE A 10 -9.178 9.044 -6.025 1.00 0.00 C ATOM 103 O ILE A 10 -8.485 8.130 -6.471 1.00 0.00 O ATOM 104 CB ILE A 10 -8.465 11.422 -5.765 1.00 0.00 C ATOM 105 CG1 ILE A 10 -8.481 12.820 -6.387 1.00 0.00 C ATOM 106 CG2 ILE A 10 -7.036 10.971 -5.500 1.00 0.00 C ATOM 107 CD1 ILE A 10 -7.747 12.903 -7.707 1.00 0.00 C ATOM 0 H ILE A 10 -11.041 11.254 -6.204 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.646 10.361 -7.635 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.996 11.462 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.515 13.131 -6.536 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.034 13.525 -5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.542 11.691 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.046 9.993 -5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.494 10.906 -6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.800 13.922 -8.089 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.704 12.624 -7.561 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.208 12.223 -8.423 1.00 0.00 H new ATOM 119 N ARG A 11 -9.959 8.906 -4.958 1.00 0.00 N ATOM 120 CA ARG A 11 -10.047 7.644 -4.233 1.00 0.00 C ATOM 121 C ARG A 11 -10.430 6.504 -5.172 1.00 0.00 C ATOM 122 O ARG A 11 -10.215 5.333 -4.862 1.00 0.00 O ATOM 123 CB ARG A 11 -11.070 7.752 -3.101 1.00 0.00 C ATOM 124 CG ARG A 11 -10.598 8.603 -1.933 1.00 0.00 C ATOM 125 CD ARG A 11 -11.327 8.239 -0.649 1.00 0.00 C ATOM 126 NE ARG A 11 -12.742 8.601 -0.702 1.00 0.00 N ATOM 127 CZ ARG A 11 -13.503 8.748 0.377 1.00 0.00 C ATOM 128 NH1 ARG A 11 -12.989 8.565 1.585 1.00 0.00 N ATOM 129 NH2 ARG A 11 -14.782 9.078 0.248 1.00 0.00 N ATOM 0 H ARG A 11 -10.540 9.653 -4.577 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.067 7.428 -3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.994 8.173 -3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.306 6.751 -2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.525 8.469 -1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.761 9.657 -2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.233 7.168 -0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.854 8.746 0.192 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.168 8.749 -1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.007 8.311 1.688 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.576 8.679 2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.181 9.219 -0.680 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.366 9.191 1.077 1.00 0.00 H new ATOM 143 N GLU A 12 -10.999 6.856 -6.321 1.00 0.00 N ATOM 144 CA GLU A 12 -11.413 5.862 -7.304 1.00 0.00 C ATOM 145 C GLU A 12 -10.281 5.559 -8.282 1.00 0.00 C ATOM 146 O GLU A 12 -9.941 4.398 -8.514 1.00 0.00 O ATOM 147 CB GLU A 12 -12.645 6.350 -8.069 1.00 0.00 C ATOM 148 CG GLU A 12 -12.688 5.885 -9.515 1.00 0.00 C ATOM 149 CD GLU A 12 -14.103 5.741 -10.040 1.00 0.00 C ATOM 150 OE1 GLU A 12 -14.967 6.551 -9.644 1.00 0.00 O ATOM 151 OE2 GLU A 12 -14.347 4.819 -10.845 1.00 0.00 O ATOM 0 H GLU A 12 -11.184 7.821 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.665 4.945 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.542 6.001 -7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.669 7.439 -8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.144 6.596 -10.137 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.174 4.928 -9.600 1.00 0.00 H new ATOM 158 N ARG A 13 -9.703 6.610 -8.852 1.00 0.00 N ATOM 159 CA ARG A 13 -8.611 6.458 -9.805 1.00 0.00 C ATOM 160 C ARG A 13 -7.473 5.638 -9.203 1.00 0.00 C ATOM 161 O ARG A 13 -6.861 4.814 -9.883 1.00 0.00 O ATOM 162 CB ARG A 13 -8.090 7.829 -10.241 1.00 0.00 C ATOM 163 CG ARG A 13 -7.108 8.448 -9.259 1.00 0.00 C ATOM 164 CD ARG A 13 -6.357 9.613 -9.882 1.00 0.00 C ATOM 165 NE ARG A 13 -7.253 10.704 -10.257 1.00 0.00 N ATOM 166 CZ ARG A 13 -6.897 11.706 -11.053 1.00 0.00 C ATOM 167 NH1 ARG A 13 -5.671 11.755 -11.556 1.00 0.00 N ATOM 168 NH2 ARG A 13 -7.769 12.662 -11.348 1.00 0.00 N ATOM 0 H ARG A 13 -9.973 7.577 -8.670 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.996 5.929 -10.677 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.606 7.732 -11.213 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.935 8.505 -10.371 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.644 8.791 -8.374 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.397 7.691 -8.928 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.612 9.982 -9.178 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.818 9.267 -10.764 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.204 10.696 -9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.998 11.022 -11.332 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.401 12.526 -12.167 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.713 12.628 -10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.495 13.431 -11.959 1.00 0.00 H new ATOM 182 N ILE A 14 -7.196 5.870 -7.924 1.00 0.00 N ATOM 183 CA ILE A 14 -6.134 5.153 -7.231 1.00 0.00 C ATOM 184 C ILE A 14 -6.437 3.660 -7.155 1.00 0.00 C ATOM 185 O ILE A 14 -5.744 2.845 -7.762 1.00 0.00 O ATOM 186 CB ILE A 14 -5.924 5.696 -5.805 1.00 0.00 C ATOM 187 CG1 ILE A 14 -5.576 7.185 -5.850 1.00 0.00 C ATOM 188 CG2 ILE A 14 -4.832 4.912 -5.094 1.00 0.00 C ATOM 189 CD1 ILE A 14 -5.516 7.833 -4.484 1.00 0.00 C ATOM 0 H ILE A 14 -7.693 6.549 -7.347 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.222 5.308 -7.807 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.852 5.575 -5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.613 7.310 -6.345 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.317 7.705 -6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.696 5.308 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.118 3.862 -5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.898 5.003 -5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.264 8.888 -4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.485 7.740 -3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.755 7.339 -3.880 1.00 0.00 H new ATOM 201 N GLU A 15 -7.478 3.311 -6.405 1.00 0.00 N ATOM 202 CA GLU A 15 -7.873 1.916 -6.251 1.00 0.00 C ATOM 203 C GLU A 15 -7.867 1.196 -7.596 1.00 0.00 C ATOM 204 O GLU A 15 -7.262 0.134 -7.740 1.00 0.00 O ATOM 205 CB GLU A 15 -9.263 1.824 -5.618 1.00 0.00 C ATOM 206 CG GLU A 15 -9.272 2.106 -4.125 1.00 0.00 C ATOM 207 CD GLU A 15 -10.672 2.123 -3.542 1.00 0.00 C ATOM 208 OE1 GLU A 15 -11.164 1.044 -3.152 1.00 0.00 O ATOM 209 OE2 GLU A 15 -11.275 3.214 -3.477 1.00 0.00 O ATOM 0 H GLU A 15 -8.062 3.974 -5.895 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.149 1.431 -5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.927 2.530 -6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.668 0.827 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.678 1.349 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.793 3.067 -3.938 1.00 0.00 H new ATOM 216 N GLU A 16 -8.544 1.783 -8.578 1.00 0.00 N ATOM 217 CA GLU A 16 -8.617 1.197 -9.911 1.00 0.00 C ATOM 218 C GLU A 16 -7.327 0.458 -10.253 1.00 0.00 C ATOM 219 O GLU A 16 -7.353 -0.694 -10.687 1.00 0.00 O ATOM 220 CB GLU A 16 -8.888 2.283 -10.956 1.00 0.00 C ATOM 221 CG GLU A 16 -10.366 2.536 -11.202 1.00 0.00 C ATOM 222 CD GLU A 16 -10.624 3.259 -12.509 1.00 0.00 C ATOM 223 OE1 GLU A 16 -9.812 4.136 -12.873 1.00 0.00 O ATOM 224 OE2 GLU A 16 -11.638 2.948 -13.169 1.00 0.00 O ATOM 0 H GLU A 16 -9.049 2.663 -8.476 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.439 0.481 -9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.418 3.212 -10.633 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.416 1.997 -11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.898 1.585 -11.206 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.772 3.124 -10.379 1.00 0.00 H new ATOM 231 N LYS A 17 -6.197 1.129 -10.053 1.00 0.00 N ATOM 232 CA LYS A 17 -4.895 0.538 -10.338 1.00 0.00 C ATOM 233 C LYS A 17 -4.609 -0.627 -9.396 1.00 0.00 C ATOM 234 O LYS A 17 -4.501 -1.776 -9.828 1.00 0.00 O ATOM 235 CB LYS A 17 -3.794 1.594 -10.210 1.00 0.00 C ATOM 236 CG LYS A 17 -3.629 2.453 -11.452 1.00 0.00 C ATOM 237 CD LYS A 17 -4.907 3.205 -11.784 1.00 0.00 C ATOM 238 CE LYS A 17 -4.672 4.256 -12.858 1.00 0.00 C ATOM 239 NZ LYS A 17 -4.363 3.640 -14.178 1.00 0.00 N ATOM 0 H LYS A 17 -6.157 2.083 -9.694 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.911 0.160 -11.360 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.017 2.238 -9.360 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.848 1.097 -9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.817 3.164 -11.299 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.346 1.824 -12.296 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.667 2.501 -12.122 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.293 3.683 -10.884 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.557 4.886 -12.949 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.849 4.904 -12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.209 4.389 -14.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.504 3.059 -14.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.159 3.041 -14.477 1.00 0.00 H new ATOM 253 N LEU A 18 -4.487 -0.324 -8.108 1.00 0.00 N ATOM 254 CA LEU A 18 -4.215 -1.347 -7.104 1.00 0.00 C ATOM 255 C LEU A 18 -4.998 -2.622 -7.400 1.00 0.00 C ATOM 256 O LEU A 18 -4.451 -3.724 -7.351 1.00 0.00 O ATOM 257 CB LEU A 18 -4.569 -0.828 -5.710 1.00 0.00 C ATOM 258 CG LEU A 18 -3.933 0.502 -5.307 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.779 1.201 -4.253 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.516 0.284 -4.798 1.00 0.00 C ATOM 0 H LEU A 18 -4.572 0.621 -7.735 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.151 -1.581 -7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.652 -0.723 -5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.279 -1.583 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.886 1.142 -6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.310 2.146 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.774 1.392 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.859 0.566 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.079 1.242 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.539 -0.374 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.913 -0.172 -5.583 1.00 0.00 H new ATOM 272 N ARG A 19 -6.281 -2.464 -7.708 1.00 0.00 N ATOM 273 CA ARG A 19 -7.140 -3.602 -8.012 1.00 0.00 C ATOM 274 C ARG A 19 -6.364 -4.685 -8.757 1.00 0.00 C ATOM 275 O ARG A 19 -6.235 -5.811 -8.278 1.00 0.00 O ATOM 276 CB ARG A 19 -8.341 -3.154 -8.847 1.00 0.00 C ATOM 277 CG ARG A 19 -9.297 -2.241 -8.098 1.00 0.00 C ATOM 278 CD ARG A 19 -10.193 -3.028 -7.154 1.00 0.00 C ATOM 279 NE ARG A 19 -11.468 -2.355 -6.921 1.00 0.00 N ATOM 280 CZ ARG A 19 -12.461 -2.338 -7.803 1.00 0.00 C ATOM 281 NH1 ARG A 19 -12.327 -2.954 -8.970 1.00 0.00 N ATOM 282 NH2 ARG A 19 -13.592 -1.704 -7.519 1.00 0.00 N ATOM 0 H ARG A 19 -6.749 -1.559 -7.754 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.497 -4.018 -7.070 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.982 -2.638 -9.737 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.885 -4.035 -9.187 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.729 -1.503 -7.532 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.911 -1.691 -8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.377 -4.019 -7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.680 -3.172 -6.203 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.603 -1.872 -6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.460 -3.443 -9.192 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.091 -2.939 -9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.699 -1.229 -6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.354 -1.692 -8.197 1.00 0.00 H new ATOM 296 N ALA A 20 -5.851 -4.335 -9.932 1.00 0.00 N ATOM 297 CA ALA A 20 -5.087 -5.275 -10.743 1.00 0.00 C ATOM 298 C ALA A 20 -3.617 -5.283 -10.336 1.00 0.00 C ATOM 299 O ALA A 20 -2.942 -6.307 -10.435 1.00 0.00 O ATOM 300 CB ALA A 20 -5.226 -4.934 -12.219 1.00 0.00 C ATOM 0 H ALA A 20 -5.951 -3.407 -10.344 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.490 -6.274 -10.573 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.650 -5.644 -12.812 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.276 -4.987 -12.507 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.852 -3.926 -12.396 1.00 0.00 H new ATOM 306 N ALA A 21 -3.128 -4.135 -9.879 1.00 0.00 N ATOM 307 CA ALA A 21 -1.739 -4.011 -9.455 1.00 0.00 C ATOM 308 C ALA A 21 -1.364 -5.114 -8.472 1.00 0.00 C ATOM 309 O ALA A 21 -0.292 -5.712 -8.574 1.00 0.00 O ATOM 310 CB ALA A 21 -1.497 -2.643 -8.834 1.00 0.00 C ATOM 0 H ALA A 21 -3.673 -3.277 -9.793 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.106 -4.115 -10.336 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.456 -2.564 -8.522 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.716 -1.867 -9.567 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.146 -2.517 -7.967 1.00 0.00 H new ATOM 316 N PHE A 22 -2.252 -5.379 -7.520 1.00 0.00 N ATOM 317 CA PHE A 22 -2.013 -6.410 -6.517 1.00 0.00 C ATOM 318 C PHE A 22 -3.171 -7.402 -6.470 1.00 0.00 C ATOM 319 O PHE A 22 -2.964 -8.615 -6.491 1.00 0.00 O ATOM 320 CB PHE A 22 -1.814 -5.775 -5.139 1.00 0.00 C ATOM 321 CG PHE A 22 -0.524 -5.016 -5.009 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.678 -5.689 -4.860 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.514 -3.631 -5.036 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.867 -4.994 -4.740 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.672 -2.931 -4.917 1.00 0.00 C ATOM 326 CZ PHE A 22 1.863 -3.613 -4.768 1.00 0.00 C ATOM 0 H PHE A 22 -3.144 -4.894 -7.422 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.107 -6.949 -6.795 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.645 -5.100 -4.935 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.844 -6.557 -4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.686 -6.769 -4.837 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.443 -3.092 -5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.797 -5.530 -4.625 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.667 -1.851 -4.941 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.790 -3.068 -4.673 1.00 0.00 H new ATOM 336 N GLN A 23 -4.390 -6.877 -6.405 1.00 0.00 N ATOM 337 CA GLN A 23 -5.582 -7.716 -6.354 1.00 0.00 C ATOM 338 C GLN A 23 -5.747 -8.342 -4.973 1.00 0.00 C ATOM 339 O GLN A 23 -5.942 -9.550 -4.831 1.00 0.00 O ATOM 340 CB GLN A 23 -5.506 -8.811 -7.418 1.00 0.00 C ATOM 341 CG GLN A 23 -4.991 -8.320 -8.761 1.00 0.00 C ATOM 342 CD GLN A 23 -4.623 -9.456 -9.696 1.00 0.00 C ATOM 343 OE1 GLN A 23 -3.516 -9.993 -9.633 1.00 0.00 O ATOM 344 NE2 GLN A 23 -5.550 -9.827 -10.570 1.00 0.00 N ATOM 0 H GLN A 23 -4.579 -5.875 -6.386 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.449 -7.086 -6.553 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.857 -9.610 -7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.497 -9.243 -7.554 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.752 -7.699 -9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.117 -7.688 -8.602 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.454 -9.354 -10.587 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.359 -10.585 -11.225 1.00 0.00 H new ATOM 353 N PRO A 24 -5.668 -7.504 -3.929 1.00 0.00 N ATOM 354 CA PRO A 24 -5.806 -7.954 -2.540 1.00 0.00 C ATOM 355 C PRO A 24 -7.230 -8.386 -2.210 1.00 0.00 C ATOM 356 O PRO A 24 -8.077 -8.498 -3.097 1.00 0.00 O ATOM 357 CB PRO A 24 -5.421 -6.716 -1.727 1.00 0.00 C ATOM 358 CG PRO A 24 -5.711 -5.565 -2.627 1.00 0.00 C ATOM 359 CD PRO A 24 -5.437 -6.053 -4.023 1.00 0.00 C ATOM 0 HA PRO A 24 -5.188 -8.827 -2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.999 -6.653 -0.805 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.369 -6.741 -1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.746 -5.239 -2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.082 -4.709 -2.382 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.102 -5.586 -4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.417 -5.828 -4.334 1.00 0.00 H new ATOM 367 N VAL A 25 -7.488 -8.627 -0.929 1.00 0.00 N ATOM 368 CA VAL A 25 -8.811 -9.046 -0.481 1.00 0.00 C ATOM 369 C VAL A 25 -9.611 -7.863 0.052 1.00 0.00 C ATOM 370 O VAL A 25 -10.839 -7.914 0.130 1.00 0.00 O ATOM 371 CB VAL A 25 -8.718 -10.125 0.615 1.00 0.00 C ATOM 372 CG1 VAL A 25 -8.112 -11.403 0.056 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.908 -9.613 1.797 1.00 0.00 C ATOM 0 H VAL A 25 -6.798 -8.539 -0.183 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.321 -9.464 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.725 -10.352 0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.054 -12.153 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.736 -11.777 -0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.111 -11.196 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.852 -10.387 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.902 -9.357 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.389 -8.727 2.212 1.00 0.00 H new ATOM 383 N PHE A 26 -8.907 -6.797 0.419 1.00 0.00 N ATOM 384 CA PHE A 26 -9.551 -5.600 0.946 1.00 0.00 C ATOM 385 C PHE A 26 -9.040 -4.350 0.236 1.00 0.00 C ATOM 386 O PHE A 26 -7.907 -4.314 -0.245 1.00 0.00 O ATOM 387 CB PHE A 26 -9.303 -5.482 2.451 1.00 0.00 C ATOM 388 CG PHE A 26 -10.218 -4.507 3.135 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.534 -4.847 3.409 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.764 -3.252 3.504 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.378 -3.952 4.039 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.604 -2.353 4.134 1.00 0.00 C ATOM 393 CZ PHE A 26 -11.913 -2.703 4.401 1.00 0.00 C ATOM 0 H PHE A 26 -7.890 -6.738 0.361 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.623 -5.686 0.767 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.424 -6.464 2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.270 -5.177 2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.904 -5.822 3.127 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.742 -2.972 3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.401 -4.229 4.248 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.237 -1.378 4.417 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.571 -2.002 4.892 1.00 0.00 H new ATOM 403 N LEU A 27 -9.885 -3.326 0.172 1.00 0.00 N ATOM 404 CA LEU A 27 -9.520 -2.073 -0.480 1.00 0.00 C ATOM 405 C LEU A 27 -10.412 -0.931 -0.003 1.00 0.00 C ATOM 406 O LEU A 27 -11.637 -1.014 -0.084 1.00 0.00 O ATOM 407 CB LEU A 27 -9.624 -2.217 -1.999 1.00 0.00 C ATOM 408 CG LEU A 27 -8.660 -1.361 -2.822 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.221 -1.770 -2.552 1.00 0.00 C ATOM 410 CD2 LEU A 27 -8.980 -1.475 -4.306 1.00 0.00 C ATOM 0 H LEU A 27 -10.827 -3.339 0.563 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.489 -1.840 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.460 -3.263 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.643 -1.971 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.782 -0.320 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.549 -1.150 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.997 -1.636 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.083 -2.817 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.284 -0.860 -4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.886 -2.515 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.999 -1.132 -4.486 1.00 0.00 H new ATOM 422 N GLU A 28 -9.789 0.133 0.491 1.00 0.00 N ATOM 423 CA GLU A 28 -10.527 1.292 0.979 1.00 0.00 C ATOM 424 C GLU A 28 -9.601 2.491 1.162 1.00 0.00 C ATOM 425 O GLU A 28 -8.534 2.379 1.766 1.00 0.00 O ATOM 426 CB GLU A 28 -11.220 0.963 2.303 1.00 0.00 C ATOM 427 CG GLU A 28 -12.252 1.995 2.724 1.00 0.00 C ATOM 428 CD GLU A 28 -13.595 1.786 2.051 1.00 0.00 C ATOM 429 OE1 GLU A 28 -13.760 2.240 0.900 1.00 0.00 O ATOM 430 OE2 GLU A 28 -14.480 1.166 2.677 1.00 0.00 O ATOM 0 H GLU A 28 -8.775 0.217 0.564 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.282 1.548 0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.705 -0.009 2.217 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.466 0.875 3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.381 1.953 3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.882 2.992 2.485 1.00 0.00 H new ATOM 437 N VAL A 29 -10.016 3.638 0.634 1.00 0.00 N ATOM 438 CA VAL A 29 -9.225 4.858 0.738 1.00 0.00 C ATOM 439 C VAL A 29 -9.939 5.905 1.586 1.00 0.00 C ATOM 440 O VAL A 29 -11.168 5.973 1.604 1.00 0.00 O ATOM 441 CB VAL A 29 -8.926 5.454 -0.650 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.029 6.676 -0.526 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.292 4.407 -1.554 1.00 0.00 C ATOM 0 H VAL A 29 -10.896 3.748 0.130 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.285 4.585 1.218 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.867 5.769 -1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.829 7.083 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.526 7.432 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.089 6.391 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.087 4.845 -2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.359 4.059 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.975 3.565 -1.670 1.00 0.00 H new ATOM 453 N VAL A 30 -9.159 6.722 2.287 1.00 0.00 N ATOM 454 CA VAL A 30 -9.717 7.769 3.136 1.00 0.00 C ATOM 455 C VAL A 30 -9.184 9.141 2.739 1.00 0.00 C ATOM 456 O VAL A 30 -7.990 9.415 2.864 1.00 0.00 O ATOM 457 CB VAL A 30 -9.396 7.516 4.621 1.00 0.00 C ATOM 458 CG1 VAL A 30 -9.891 8.671 5.479 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.006 6.200 5.081 1.00 0.00 C ATOM 0 H VAL A 30 -8.140 6.679 2.284 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.798 7.748 2.996 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.314 7.448 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.655 8.474 6.525 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.403 9.593 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.970 8.774 5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.769 6.037 6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.088 6.236 4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.598 5.382 4.486 1.00 0.00 H new ATOM 469 N ASP A 31 -10.077 10.000 2.260 1.00 0.00 N ATOM 470 CA ASP A 31 -9.698 11.345 1.845 1.00 0.00 C ATOM 471 C ASP A 31 -10.279 12.390 2.793 1.00 0.00 C ATOM 472 O ASP A 31 -11.457 12.335 3.145 1.00 0.00 O ATOM 473 CB ASP A 31 -10.172 11.614 0.416 1.00 0.00 C ATOM 474 CG ASP A 31 -9.346 12.680 -0.277 1.00 0.00 C ATOM 475 OD1 ASP A 31 -8.994 13.680 0.384 1.00 0.00 O ATOM 476 OD2 ASP A 31 -9.053 12.516 -1.480 1.00 0.00 O ATOM 0 H ASP A 31 -11.069 9.788 2.150 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.611 11.416 1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.124 10.690 -0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.217 11.923 0.435 1.00 0.00 H new ATOM 481 N GLU A 32 -9.444 13.340 3.202 1.00 0.00 N ATOM 482 CA GLU A 32 -9.876 14.396 4.111 1.00 0.00 C ATOM 483 C GLU A 32 -9.783 15.763 3.439 1.00 0.00 C ATOM 484 O GLU A 32 -8.757 16.438 3.520 1.00 0.00 O ATOM 485 CB GLU A 32 -9.027 14.383 5.384 1.00 0.00 C ATOM 486 CG GLU A 32 -9.119 13.082 6.163 1.00 0.00 C ATOM 487 CD GLU A 32 -10.424 12.949 6.924 1.00 0.00 C ATOM 488 OE1 GLU A 32 -11.476 13.327 6.368 1.00 0.00 O ATOM 489 OE2 GLU A 32 -10.393 12.468 8.076 1.00 0.00 O ATOM 0 H GLU A 32 -8.466 13.400 2.919 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.917 14.210 4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.986 14.565 5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.340 15.205 6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.017 12.243 5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.286 13.023 6.864 1.00 0.00 H new ATOM 686 N PHE A 46 -4.210 12.015 3.691 1.00 0.00 N ATOM 687 CA PHE A 46 -4.617 10.904 2.838 1.00 0.00 C ATOM 688 C PHE A 46 -4.203 9.569 3.450 1.00 0.00 C ATOM 689 O PHE A 46 -3.172 9.470 4.116 1.00 0.00 O ATOM 690 CB PHE A 46 -4.002 11.051 1.444 1.00 0.00 C ATOM 691 CG PHE A 46 -4.844 10.456 0.352 1.00 0.00 C ATOM 692 CD1 PHE A 46 -6.204 10.715 0.289 1.00 0.00 C ATOM 693 CD2 PHE A 46 -4.276 9.639 -0.611 1.00 0.00 C ATOM 694 CE1 PHE A 46 -6.981 10.168 -0.715 1.00 0.00 C ATOM 695 CE2 PHE A 46 -5.048 9.090 -1.618 1.00 0.00 C ATOM 696 CZ PHE A 46 -6.402 9.355 -1.670 1.00 0.00 C ATOM 0 HA PHE A 46 -5.703 10.924 2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.844 12.109 1.235 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.021 10.575 1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.662 11.351 1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.217 9.428 -0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.040 10.376 -0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.592 8.455 -2.363 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.007 8.928 -2.456 1.00 0.00 H new ATOM 706 N LYS A 47 -5.015 8.542 3.220 1.00 0.00 N ATOM 707 CA LYS A 47 -4.735 7.212 3.746 1.00 0.00 C ATOM 708 C LYS A 47 -5.327 6.134 2.844 1.00 0.00 C ATOM 709 O LYS A 47 -6.383 6.325 2.242 1.00 0.00 O ATOM 710 CB LYS A 47 -5.298 7.072 5.162 1.00 0.00 C ATOM 711 CG LYS A 47 -4.980 5.738 5.815 1.00 0.00 C ATOM 712 CD LYS A 47 -6.061 5.329 6.802 1.00 0.00 C ATOM 713 CE LYS A 47 -7.156 4.519 6.125 1.00 0.00 C ATOM 714 NZ LYS A 47 -8.169 4.031 7.102 1.00 0.00 N ATOM 0 H LYS A 47 -5.873 8.606 2.672 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.653 7.082 3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.900 7.875 5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.380 7.201 5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.878 4.971 5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.022 5.803 6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.618 4.742 7.607 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.494 6.219 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.646 5.132 5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.712 3.669 5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.898 3.484 6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.706 3.425 7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.611 4.843 7.578 1.00 0.00 H new ATOM 728 N VAL A 48 -4.639 4.999 2.756 1.00 0.00 N ATOM 729 CA VAL A 48 -5.099 3.890 1.929 1.00 0.00 C ATOM 730 C VAL A 48 -4.942 2.560 2.657 1.00 0.00 C ATOM 731 O VAL A 48 -3.881 2.261 3.206 1.00 0.00 O ATOM 732 CB VAL A 48 -4.328 3.826 0.596 1.00 0.00 C ATOM 733 CG1 VAL A 48 -4.589 2.504 -0.109 1.00 0.00 C ATOM 734 CG2 VAL A 48 -4.708 4.999 -0.294 1.00 0.00 C ATOM 0 H VAL A 48 -3.762 4.824 3.247 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.155 4.066 1.722 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.261 3.891 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.036 2.477 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.263 1.682 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.655 2.404 -0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.155 4.939 -1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.778 4.967 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.464 5.933 0.212 1.00 0.00 H new ATOM 744 N VAL A 49 -6.006 1.763 2.659 1.00 0.00 N ATOM 745 CA VAL A 49 -5.987 0.463 3.319 1.00 0.00 C ATOM 746 C VAL A 49 -5.937 -0.670 2.300 1.00 0.00 C ATOM 747 O VAL A 49 -6.787 -0.760 1.412 1.00 0.00 O ATOM 748 CB VAL A 49 -7.221 0.273 4.220 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.231 -1.122 4.825 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.254 1.335 5.309 1.00 0.00 C ATOM 0 H VAL A 49 -6.892 1.995 2.211 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.088 0.434 3.935 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.116 0.384 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.110 -1.238 5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.258 -1.864 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.331 -1.266 5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.133 1.186 5.936 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.355 1.258 5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.298 2.324 4.852 1.00 0.00 H new ATOM 760 N LEU A 50 -4.936 -1.534 2.433 1.00 0.00 N ATOM 761 CA LEU A 50 -4.775 -2.663 1.523 1.00 0.00 C ATOM 762 C LEU A 50 -4.381 -3.924 2.286 1.00 0.00 C ATOM 763 O LEU A 50 -3.245 -4.057 2.743 1.00 0.00 O ATOM 764 CB LEU A 50 -3.718 -2.343 0.464 1.00 0.00 C ATOM 765 CG LEU A 50 -3.378 -3.474 -0.508 1.00 0.00 C ATOM 766 CD1 LEU A 50 -2.919 -2.910 -1.843 1.00 0.00 C ATOM 767 CD2 LEU A 50 -2.312 -4.383 0.085 1.00 0.00 C ATOM 0 H LEU A 50 -4.224 -1.474 3.161 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.731 -2.841 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.060 -1.485 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.803 -2.041 0.973 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.278 -4.065 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.681 -3.729 -2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.714 -2.301 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.032 -2.295 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.082 -5.182 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.410 -3.804 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.679 -4.815 1.016 1.00 0.00 H new ATOM 779 N VAL A 51 -5.326 -4.849 2.419 1.00 0.00 N ATOM 780 CA VAL A 51 -5.077 -6.101 3.123 1.00 0.00 C ATOM 781 C VAL A 51 -4.630 -7.194 2.159 1.00 0.00 C ATOM 782 O VAL A 51 -5.331 -7.515 1.199 1.00 0.00 O ATOM 783 CB VAL A 51 -6.332 -6.579 3.878 1.00 0.00 C ATOM 784 CG1 VAL A 51 -6.056 -7.892 4.594 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.801 -5.515 4.858 1.00 0.00 C ATOM 0 H VAL A 51 -6.272 -4.755 2.048 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.281 -5.907 3.842 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.129 -6.749 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.954 -8.214 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.771 -8.651 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.245 -7.753 5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.688 -5.869 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.010 -5.311 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.041 -4.601 4.315 1.00 0.00 H new ATOM 795 N SER A 52 -3.458 -7.764 2.421 1.00 0.00 N ATOM 796 CA SER A 52 -2.915 -8.819 1.575 1.00 0.00 C ATOM 797 C SER A 52 -1.912 -9.672 2.346 1.00 0.00 C ATOM 798 O SER A 52 -1.324 -9.222 3.329 1.00 0.00 O ATOM 799 CB SER A 52 -2.244 -8.217 0.338 1.00 0.00 C ATOM 800 OG SER A 52 -1.887 -9.225 -0.591 1.00 0.00 O ATOM 0 H SER A 52 -2.867 -7.512 3.213 1.00 0.00 H new ATOM 0 HA SER A 52 -3.741 -9.456 1.258 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.920 -7.505 -0.136 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.355 -7.662 0.637 1.00 0.00 H new ATOM 0 HG SER A 52 -1.462 -8.814 -1.372 1.00 0.00 H new ATOM 806 N ASP A 53 -1.723 -10.906 1.893 1.00 0.00 N ATOM 807 CA ASP A 53 -0.790 -11.823 2.538 1.00 0.00 C ATOM 808 C ASP A 53 0.609 -11.681 1.948 1.00 0.00 C ATOM 809 O ASP A 53 1.607 -11.786 2.660 1.00 0.00 O ATOM 810 CB ASP A 53 -1.276 -13.266 2.390 1.00 0.00 C ATOM 811 CG ASP A 53 -0.504 -14.230 3.269 1.00 0.00 C ATOM 812 OD1 ASP A 53 -0.346 -13.939 4.473 1.00 0.00 O ATOM 813 OD2 ASP A 53 -0.059 -15.276 2.753 1.00 0.00 O ATOM 0 H ASP A 53 -2.203 -11.295 1.082 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.744 -11.570 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.335 -13.317 2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.181 -13.573 1.348 1.00 0.00 H new ATOM 818 N ARG A 54 0.673 -11.443 0.642 1.00 0.00 N ATOM 819 CA ARG A 54 1.950 -11.289 -0.045 1.00 0.00 C ATOM 820 C ARG A 54 2.963 -10.574 0.845 1.00 0.00 C ATOM 821 O ARG A 54 4.167 -10.813 0.750 1.00 0.00 O ATOM 822 CB ARG A 54 1.762 -10.511 -1.348 1.00 0.00 C ATOM 823 CG ARG A 54 0.887 -11.228 -2.364 1.00 0.00 C ATOM 824 CD ARG A 54 1.608 -12.415 -2.981 1.00 0.00 C ATOM 825 NE ARG A 54 2.766 -12.003 -3.770 1.00 0.00 N ATOM 826 CZ ARG A 54 2.691 -11.608 -5.036 1.00 0.00 C ATOM 827 NH1 ARG A 54 1.518 -11.572 -5.654 1.00 0.00 N ATOM 828 NH2 ARG A 54 3.790 -11.248 -5.686 1.00 0.00 N ATOM 0 H ARG A 54 -0.144 -11.353 0.038 1.00 0.00 H new ATOM 0 HA ARG A 54 2.332 -12.283 -0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.321 -9.540 -1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.739 -10.321 -1.792 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.029 -11.568 -1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.593 -10.531 -3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.930 -13.094 -2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.916 -12.970 -3.615 1.00 0.00 H new ATOM 0 HE ARG A 54 3.683 -12.020 -3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.671 -11.848 -5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.463 -11.268 -6.626 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.694 -11.274 -5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.731 -10.945 -6.658 1.00 0.00 H new ATOM 842 N PHE A 55 2.467 -9.695 1.709 1.00 0.00 N ATOM 843 CA PHE A 55 3.328 -8.943 2.615 1.00 0.00 C ATOM 844 C PHE A 55 3.536 -9.702 3.923 1.00 0.00 C ATOM 845 O PHE A 55 3.581 -9.107 5.000 1.00 0.00 O ATOM 846 CB PHE A 55 2.725 -7.567 2.902 1.00 0.00 C ATOM 847 CG PHE A 55 2.328 -6.816 1.662 1.00 0.00 C ATOM 848 CD1 PHE A 55 3.267 -6.091 0.946 1.00 0.00 C ATOM 849 CD2 PHE A 55 1.017 -6.835 1.214 1.00 0.00 C ATOM 850 CE1 PHE A 55 2.905 -5.400 -0.195 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.650 -6.146 0.074 1.00 0.00 C ATOM 852 CZ PHE A 55 1.595 -5.427 -0.631 1.00 0.00 C ATOM 0 H PHE A 55 1.473 -9.486 1.801 1.00 0.00 H new ATOM 0 HA PHE A 55 4.296 -8.814 2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.849 -7.689 3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.447 -6.972 3.462 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.293 -6.066 1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.274 -7.395 1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.646 -4.839 -0.745 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.375 -6.170 -0.265 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.310 -4.887 -1.522 1.00 0.00 H new ATOM 961 N ASN A 62 10.388 -3.186 1.945 1.00 0.00 N ATOM 962 CA ASN A 62 10.095 -3.952 0.739 1.00 0.00 C ATOM 963 C ASN A 62 8.593 -3.986 0.469 1.00 0.00 C ATOM 964 O ASN A 62 8.159 -3.937 -0.682 1.00 0.00 O ATOM 965 CB ASN A 62 10.633 -5.378 0.872 1.00 0.00 C ATOM 966 CG ASN A 62 10.407 -6.201 -0.382 1.00 0.00 C ATOM 967 OD1 ASN A 62 10.533 -5.698 -1.498 1.00 0.00 O ATOM 968 ND2 ASN A 62 10.071 -7.473 -0.202 1.00 0.00 N ATOM 0 HA ASN A 62 10.587 -3.463 -0.102 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.700 -5.342 1.092 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.150 -5.868 1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.906 -8.076 -1.008 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.978 -7.847 0.742 1.00 0.00 H new ATOM 975 N ARG A 63 7.807 -4.071 1.537 1.00 0.00 N ATOM 976 CA ARG A 63 6.355 -4.112 1.415 1.00 0.00 C ATOM 977 C ARG A 63 5.804 -2.747 1.012 1.00 0.00 C ATOM 978 O ARG A 63 4.811 -2.655 0.290 1.00 0.00 O ATOM 979 CB ARG A 63 5.724 -4.559 2.735 1.00 0.00 C ATOM 980 CG ARG A 63 6.202 -5.923 3.207 1.00 0.00 C ATOM 981 CD ARG A 63 6.156 -6.034 4.723 1.00 0.00 C ATOM 982 NE ARG A 63 4.837 -5.705 5.256 1.00 0.00 N ATOM 983 CZ ARG A 63 4.557 -5.669 6.554 1.00 0.00 C ATOM 984 NH1 ARG A 63 5.499 -5.940 7.447 1.00 0.00 N ATOM 985 NH2 ARG A 63 3.332 -5.361 6.962 1.00 0.00 N ATOM 0 H ARG A 63 8.151 -4.113 2.496 1.00 0.00 H new ATOM 0 HA ARG A 63 6.101 -4.831 0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.947 -3.819 3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.640 -4.583 2.620 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.580 -6.701 2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.221 -6.093 2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.425 -7.048 5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.900 -5.366 5.158 1.00 0.00 H new ATOM 0 HE ARG A 63 4.090 -5.491 4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.442 -6.177 7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.281 -5.912 8.443 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.604 -5.152 6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.118 -5.334 7.959 1.00 0.00 H new ATOM 999 N HIS A 64 6.455 -1.689 1.485 1.00 0.00 N ATOM 1000 CA HIS A 64 6.030 -0.328 1.175 1.00 0.00 C ATOM 1001 C HIS A 64 6.405 0.044 -0.257 1.00 0.00 C ATOM 1002 O HIS A 64 5.540 0.371 -1.070 1.00 0.00 O ATOM 1003 CB HIS A 64 6.662 0.662 2.154 1.00 0.00 C ATOM 1004 CG HIS A 64 5.952 0.738 3.470 1.00 0.00 C ATOM 1005 ND1 HIS A 64 4.637 1.135 3.594 1.00 0.00 N ATOM 1006 CD2 HIS A 64 6.380 0.464 4.724 1.00 0.00 C ATOM 1007 CE1 HIS A 64 4.288 1.103 4.867 1.00 0.00 C ATOM 1008 NE2 HIS A 64 5.328 0.699 5.575 1.00 0.00 N ATOM 0 H HIS A 64 7.278 -1.748 2.084 1.00 0.00 H new ATOM 0 HA HIS A 64 4.945 -0.281 1.273 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.700 0.378 2.326 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.674 1.653 1.699 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.366 0.124 5.004 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.317 1.363 5.263 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.346 0.581 6.588 1.00 0.00 H new ATOM 1017 N ARG A 65 7.698 -0.007 -0.557 1.00 0.00 N ATOM 1018 CA ARG A 65 8.187 0.327 -1.890 1.00 0.00 C ATOM 1019 C ARG A 65 7.256 -0.226 -2.965 1.00 0.00 C ATOM 1020 O ARG A 65 6.915 0.469 -3.921 1.00 0.00 O ATOM 1021 CB ARG A 65 9.600 -0.224 -2.091 1.00 0.00 C ATOM 1022 CG ARG A 65 9.695 -1.732 -1.927 1.00 0.00 C ATOM 1023 CD ARG A 65 11.087 -2.243 -2.265 1.00 0.00 C ATOM 1024 NE ARG A 65 11.433 -2.003 -3.664 1.00 0.00 N ATOM 1025 CZ ARG A 65 12.396 -2.655 -4.304 1.00 0.00 C ATOM 1026 NH1 ARG A 65 13.105 -3.583 -3.676 1.00 0.00 N ATOM 1027 NH2 ARG A 65 12.652 -2.380 -5.577 1.00 0.00 N ATOM 0 H ARG A 65 8.426 -0.276 0.104 1.00 0.00 H new ATOM 0 HA ARG A 65 8.212 1.413 -1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.948 0.047 -3.088 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.272 0.254 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.446 -2.004 -0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.962 -2.216 -2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.819 -1.754 -1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.142 -3.311 -2.056 1.00 0.00 H new ATOM 0 HE ARG A 65 10.906 -1.296 -4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.911 -3.798 -2.698 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.844 -4.082 -4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.109 -1.667 -6.064 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.392 -2.881 -6.068 1.00 0.00 H new ATOM 1041 N MET A 66 6.850 -1.481 -2.800 1.00 0.00 N ATOM 1042 CA MET A 66 5.958 -2.127 -3.756 1.00 0.00 C ATOM 1043 C MET A 66 4.712 -1.280 -3.995 1.00 0.00 C ATOM 1044 O MET A 66 4.361 -0.985 -5.138 1.00 0.00 O ATOM 1045 CB MET A 66 5.557 -3.516 -3.255 1.00 0.00 C ATOM 1046 CG MET A 66 6.566 -4.600 -3.597 1.00 0.00 C ATOM 1047 SD MET A 66 5.800 -6.218 -3.812 1.00 0.00 S ATOM 1048 CE MET A 66 5.749 -6.796 -2.117 1.00 0.00 C ATOM 0 H MET A 66 7.124 -2.070 -2.014 1.00 0.00 H new ATOM 0 HA MET A 66 6.492 -2.230 -4.701 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.428 -3.480 -2.173 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.591 -3.783 -3.683 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.091 -4.326 -4.512 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.313 -4.658 -2.806 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.009 -7.591 -2.026 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.729 -7.179 -1.834 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.478 -5.970 -1.459 1.00 0.00 H new ATOM 1058 N ILE A 67 4.048 -0.894 -2.911 1.00 0.00 N ATOM 1059 CA ILE A 67 2.842 -0.081 -3.004 1.00 0.00 C ATOM 1060 C ILE A 67 3.103 1.202 -3.785 1.00 0.00 C ATOM 1061 O ILE A 67 2.555 1.404 -4.869 1.00 0.00 O ATOM 1062 CB ILE A 67 2.299 0.282 -1.609 1.00 0.00 C ATOM 1063 CG1 ILE A 67 2.031 -0.986 -0.796 1.00 0.00 C ATOM 1064 CG2 ILE A 67 1.032 1.115 -1.734 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.811 -1.752 -1.256 1.00 0.00 C ATOM 0 H ILE A 67 4.325 -1.131 -1.958 1.00 0.00 H new ATOM 0 HA ILE A 67 2.098 -0.679 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 67 3.050 0.874 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.903 -1.637 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.906 -0.716 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.660 1.364 -0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.252 2.033 -2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.274 0.546 -2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.682 -2.638 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.071 -1.117 -1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.941 -2.053 -2.295 1.00 0.00 H new ATOM 1077 N TYR A 68 3.945 2.066 -3.228 1.00 0.00 N ATOM 1078 CA TYR A 68 4.278 3.331 -3.873 1.00 0.00 C ATOM 1079 C TYR A 68 4.622 3.119 -5.344 1.00 0.00 C ATOM 1080 O TYR A 68 3.990 3.693 -6.230 1.00 0.00 O ATOM 1081 CB TYR A 68 5.452 4.000 -3.154 1.00 0.00 C ATOM 1082 CG TYR A 68 5.056 4.707 -1.877 1.00 0.00 C ATOM 1083 CD1 TYR A 68 3.970 5.572 -1.848 1.00 0.00 C ATOM 1084 CD2 TYR A 68 5.770 4.511 -0.702 1.00 0.00 C ATOM 1085 CE1 TYR A 68 3.605 6.221 -0.684 1.00 0.00 C ATOM 1086 CE2 TYR A 68 5.412 5.154 0.467 1.00 0.00 C ATOM 1087 CZ TYR A 68 4.329 6.009 0.471 1.00 0.00 C ATOM 1088 OH TYR A 68 3.970 6.653 1.633 1.00 0.00 O ATOM 0 H TYR A 68 4.409 1.914 -2.332 1.00 0.00 H new ATOM 0 HA TYR A 68 3.405 3.981 -3.813 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.204 3.245 -2.923 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.918 4.719 -3.828 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.401 5.740 -2.750 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.620 3.844 -0.702 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.758 6.891 -0.678 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.977 4.988 1.373 1.00 0.00 H new ATOM 0 HH TYR A 68 3.030 6.924 1.580 1.00 0.00 H new ATOM 1098 N SER A 69 5.630 2.290 -5.595 1.00 0.00 N ATOM 1099 CA SER A 69 6.062 2.003 -6.958 1.00 0.00 C ATOM 1100 C SER A 69 4.871 1.976 -7.911 1.00 0.00 C ATOM 1101 O SER A 69 4.934 2.510 -9.019 1.00 0.00 O ATOM 1102 CB SER A 69 6.802 0.665 -7.010 1.00 0.00 C ATOM 1103 OG SER A 69 7.622 0.580 -8.163 1.00 0.00 O ATOM 0 H SER A 69 6.163 1.805 -4.873 1.00 0.00 H new ATOM 0 HA SER A 69 6.739 2.797 -7.273 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.414 0.549 -6.115 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.081 -0.153 -7.011 1.00 0.00 H new ATOM 0 HG SER A 69 8.085 -0.284 -8.172 1.00 0.00 H new ATOM 1109 N THR A 70 3.784 1.349 -7.472 1.00 0.00 N ATOM 1110 CA THR A 70 2.578 1.250 -8.285 1.00 0.00 C ATOM 1111 C THR A 70 2.002 2.629 -8.584 1.00 0.00 C ATOM 1112 O THR A 70 1.892 3.029 -9.743 1.00 0.00 O ATOM 1113 CB THR A 70 1.501 0.395 -7.590 1.00 0.00 C ATOM 1114 OG1 THR A 70 2.035 -0.891 -7.258 1.00 0.00 O ATOM 1115 CG2 THR A 70 0.282 0.229 -8.484 1.00 0.00 C ATOM 0 H THR A 70 3.714 0.902 -6.558 1.00 0.00 H new ATOM 0 HA THR A 70 2.865 0.769 -9.220 1.00 0.00 H new ATOM 0 HB THR A 70 1.195 0.907 -6.677 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.486 -1.302 -6.558 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.465 -0.378 -7.972 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.140 1.208 -8.710 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.575 -0.263 -9.412 1.00 0.00 H new ATOM 1123 N LEU A 71 1.635 3.353 -7.532 1.00 0.00 N ATOM 1124 CA LEU A 71 1.070 4.689 -7.682 1.00 0.00 C ATOM 1125 C LEU A 71 2.127 5.759 -7.423 1.00 0.00 C ATOM 1126 O LEU A 71 1.826 6.826 -6.889 1.00 0.00 O ATOM 1127 CB LEU A 71 -0.107 4.877 -6.724 1.00 0.00 C ATOM 1128 CG LEU A 71 -1.190 3.798 -6.771 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -1.850 3.645 -5.410 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.226 4.128 -7.835 1.00 0.00 C ATOM 0 H LEU A 71 1.719 3.037 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 71 0.716 4.794 -8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.283 4.928 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.572 5.840 -6.936 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.720 2.850 -7.032 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.618 2.873 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.100 3.361 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.306 4.591 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.989 3.349 -7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.691 5.086 -7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.741 4.185 -8.810 1.00 0.00 H new ATOM 1142 N ALA A 72 3.365 5.466 -7.808 1.00 0.00 N ATOM 1143 CA ALA A 72 4.464 6.404 -7.621 1.00 0.00 C ATOM 1144 C ALA A 72 4.040 7.825 -7.976 1.00 0.00 C ATOM 1145 O ALA A 72 4.034 8.711 -7.122 1.00 0.00 O ATOM 1146 CB ALA A 72 5.663 5.985 -8.460 1.00 0.00 C ATOM 0 H ALA A 72 3.631 4.587 -8.251 1.00 0.00 H new ATOM 0 HA ALA A 72 4.746 6.389 -6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.477 6.694 -8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.989 4.990 -8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.383 5.970 -9.513 1.00 0.00 H new ATOM 1152 N GLU A 73 3.687 8.034 -9.240 1.00 0.00 N ATOM 1153 CA GLU A 73 3.262 9.349 -9.706 1.00 0.00 C ATOM 1154 C GLU A 73 1.757 9.529 -9.530 1.00 0.00 C ATOM 1155 O GLU A 73 1.294 10.587 -9.105 1.00 0.00 O ATOM 1156 CB GLU A 73 3.641 9.541 -11.176 1.00 0.00 C ATOM 1157 CG GLU A 73 5.141 9.575 -11.418 1.00 0.00 C ATOM 1158 CD GLU A 73 5.511 9.201 -12.841 1.00 0.00 C ATOM 1159 OE1 GLU A 73 5.480 7.995 -13.163 1.00 0.00 O ATOM 1160 OE2 GLU A 73 5.831 10.114 -13.631 1.00 0.00 O ATOM 0 H GLU A 73 3.687 7.311 -9.959 1.00 0.00 H new ATOM 0 HA GLU A 73 3.773 10.101 -9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.205 8.733 -11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.202 10.471 -11.537 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.518 10.574 -11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.632 8.890 -10.727 1.00 0.00 H new ATOM 1167 N GLU A 74 1.000 8.488 -9.861 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.453 8.532 -9.741 1.00 0.00 C ATOM 1169 C GLU A 74 -0.874 9.369 -8.536 1.00 0.00 C ATOM 1170 O GLU A 74 -1.842 10.128 -8.601 1.00 0.00 O ATOM 1171 CB GLU A 74 -1.019 7.116 -9.615 1.00 0.00 C ATOM 1172 CG GLU A 74 -0.824 6.270 -10.862 1.00 0.00 C ATOM 1173 CD GLU A 74 -1.509 6.858 -12.079 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.622 7.405 -11.927 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -0.934 6.772 -13.184 1.00 0.00 O ATOM 0 H GLU A 74 1.368 7.605 -10.214 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.853 8.997 -10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.544 6.618 -8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.084 7.178 -9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.242 6.168 -11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.212 5.268 -10.681 1.00 0.00 H new ATOM 1182 N LEU A 75 -0.141 9.225 -7.438 1.00 0.00 N ATOM 1183 CA LEU A 75 -0.437 9.967 -6.217 1.00 0.00 C ATOM 1184 C LEU A 75 -0.019 11.427 -6.352 1.00 0.00 C ATOM 1185 O LEU A 75 -0.830 12.335 -6.172 1.00 0.00 O ATOM 1186 CB LEU A 75 0.275 9.329 -5.023 1.00 0.00 C ATOM 1187 CG LEU A 75 0.031 7.833 -4.817 1.00 0.00 C ATOM 1188 CD1 LEU A 75 1.164 7.213 -4.015 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -1.304 7.601 -4.125 1.00 0.00 C ATOM 0 H LEU A 75 0.663 8.601 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.514 9.930 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.347 9.490 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.032 9.855 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.001 7.351 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.973 6.149 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.104 7.347 -4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.228 7.698 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.461 6.531 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.301 8.096 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.107 8.009 -4.738 1.00 0.00 H new ATOM 1201 N SER A 76 1.253 11.646 -6.673 1.00 0.00 N ATOM 1202 CA SER A 76 1.780 12.996 -6.830 1.00 0.00 C ATOM 1203 C SER A 76 0.845 13.848 -7.684 1.00 0.00 C ATOM 1204 O SER A 76 0.743 15.060 -7.495 1.00 0.00 O ATOM 1205 CB SER A 76 3.171 12.952 -7.466 1.00 0.00 C ATOM 1206 OG SER A 76 4.131 12.440 -6.557 1.00 0.00 O ATOM 0 H SER A 76 1.937 10.906 -6.829 1.00 0.00 H new ATOM 0 HA SER A 76 1.854 13.448 -5.841 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.146 12.331 -8.361 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.462 13.954 -7.781 1.00 0.00 H new ATOM 0 HG SER A 76 5.011 12.420 -6.987 1.00 0.00 H new ATOM 1212 N THR A 77 0.164 13.204 -8.627 1.00 0.00 N ATOM 1213 CA THR A 77 -0.762 13.900 -9.511 1.00 0.00 C ATOM 1214 C THR A 77 -1.451 15.052 -8.789 1.00 0.00 C ATOM 1215 O THR A 77 -1.287 16.216 -9.155 1.00 0.00 O ATOM 1216 CB THR A 77 -1.833 12.944 -10.069 1.00 0.00 C ATOM 1217 OG1 THR A 77 -1.218 11.943 -10.888 1.00 0.00 O ATOM 1218 CG2 THR A 77 -2.868 13.706 -10.883 1.00 0.00 C ATOM 0 H THR A 77 0.237 12.201 -8.798 1.00 0.00 H new ATOM 0 HA THR A 77 -0.172 14.295 -10.338 1.00 0.00 H new ATOM 0 HB THR A 77 -2.335 12.467 -9.228 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.356 11.060 -10.485 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.614 13.010 -11.267 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.355 14.447 -10.250 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.377 14.208 -11.717 1.00 0.00 H new ATOM 1226 N THR A 78 -2.225 14.721 -7.759 1.00 0.00 N ATOM 1227 CA THR A 78 -2.940 15.728 -6.986 1.00 0.00 C ATOM 1228 C THR A 78 -2.591 15.633 -5.505 1.00 0.00 C ATOM 1229 O THR A 78 -2.535 16.643 -4.804 1.00 0.00 O ATOM 1230 CB THR A 78 -4.465 15.586 -7.153 1.00 0.00 C ATOM 1231 OG1 THR A 78 -5.138 16.570 -6.360 1.00 0.00 O ATOM 1232 CG2 THR A 78 -4.927 14.196 -6.744 1.00 0.00 C ATOM 0 H THR A 78 -2.372 13.763 -7.442 1.00 0.00 H new ATOM 0 HA THR A 78 -2.629 16.700 -7.368 1.00 0.00 H new ATOM 0 HB THR A 78 -4.709 15.738 -8.204 1.00 0.00 H new ATOM 0 HG1 THR A 78 -6.107 16.474 -6.473 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.007 14.120 -6.870 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.435 13.451 -7.369 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.671 14.020 -5.699 1.00 0.00 H new ATOM 1240 N VAL A 79 -2.357 14.412 -5.033 1.00 0.00 N ATOM 1241 CA VAL A 79 -2.012 14.186 -3.635 1.00 0.00 C ATOM 1242 C VAL A 79 -0.504 14.262 -3.422 1.00 0.00 C ATOM 1243 O VAL A 79 0.277 13.911 -4.306 1.00 0.00 O ATOM 1244 CB VAL A 79 -2.519 12.816 -3.146 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.892 12.461 -1.807 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -4.037 12.814 -3.051 1.00 0.00 C ATOM 0 H VAL A 79 -2.400 13.564 -5.599 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.498 14.973 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.222 12.058 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.262 11.490 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.808 12.419 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.156 13.219 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.379 11.839 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.359 13.582 -2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.463 13.020 -4.033 1.00 0.00 H new ATOM 1256 N HIS A 80 -0.102 14.724 -2.242 1.00 0.00 N ATOM 1257 CA HIS A 80 1.314 14.846 -1.912 1.00 0.00 C ATOM 1258 C HIS A 80 1.700 13.869 -0.805 1.00 0.00 C ATOM 1259 O HIS A 80 2.726 13.195 -0.889 1.00 0.00 O ATOM 1260 CB HIS A 80 1.637 16.277 -1.480 1.00 0.00 C ATOM 1261 CG HIS A 80 0.655 16.843 -0.500 1.00 0.00 C ATOM 1262 ND1 HIS A 80 -0.580 17.332 -0.870 1.00 0.00 N ATOM 1263 CD2 HIS A 80 0.732 16.994 0.843 1.00 0.00 C ATOM 1264 CE1 HIS A 80 -1.220 17.762 0.203 1.00 0.00 C ATOM 1265 NE2 HIS A 80 -0.446 17.568 1.255 1.00 0.00 N ATOM 0 H HIS A 80 -0.736 15.020 -1.499 1.00 0.00 H new ATOM 0 HA HIS A 80 1.892 14.604 -2.804 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.633 16.298 -1.037 1.00 0.00 H new ATOM 0 HB3 HIS A 80 1.667 16.916 -2.362 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.564 16.715 1.473 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.208 18.198 0.217 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.684 17.806 2.218 1.00 0.00 H new ATOM 1274 N ALA A 81 0.870 13.798 0.231 1.00 0.00 N ATOM 1275 CA ALA A 81 1.124 12.903 1.352 1.00 0.00 C ATOM 1276 C ALA A 81 0.080 11.793 1.416 1.00 0.00 C ATOM 1277 O ALA A 81 -1.094 12.013 1.118 1.00 0.00 O ATOM 1278 CB ALA A 81 1.146 13.685 2.657 1.00 0.00 C ATOM 0 H ALA A 81 0.016 14.350 0.316 1.00 0.00 H new ATOM 0 HA ALA A 81 2.099 12.440 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.337 13.004 3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.934 14.437 2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.183 14.175 2.804 1.00 0.00 H new ATOM 1284 N LEU A 82 0.515 10.599 1.805 1.00 0.00 N ATOM 1285 CA LEU A 82 -0.382 9.454 1.907 1.00 0.00 C ATOM 1286 C LEU A 82 0.183 8.403 2.858 1.00 0.00 C ATOM 1287 O LEU A 82 1.298 7.918 2.670 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.613 8.837 0.526 1.00 0.00 C ATOM 1289 CG LEU A 82 -1.239 7.443 0.510 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.562 7.443 1.260 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -1.435 6.962 -0.920 1.00 0.00 C ATOM 0 H LEU A 82 1.484 10.399 2.055 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.334 9.804 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.254 9.508 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.344 8.790 0.007 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.559 6.755 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.993 6.442 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.394 7.743 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.249 8.144 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.882 5.968 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.094 7.651 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.470 6.922 -1.426 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.596 8.054 3.876 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.175 7.058 4.854 1.00 0.00 C ATOM 1305 C ALA A 83 -0.651 5.665 4.457 1.00 0.00 C ATOM 1306 O ALA A 83 -1.826 5.329 4.617 1.00 0.00 O ATOM 1307 CB ALA A 83 -0.696 7.422 6.236 1.00 0.00 C ATOM 0 H ALA A 83 -1.522 8.446 4.045 1.00 0.00 H new ATOM 0 HA ALA A 83 0.915 7.048 4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.374 6.670 6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.303 8.396 6.528 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.785 7.462 6.215 1.00 0.00 H new ATOM 1313 N LEU A 84 0.266 4.857 3.937 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.060 3.499 3.516 1.00 0.00 C ATOM 1315 C LEU A 84 -0.256 2.587 4.723 1.00 0.00 C ATOM 1316 O LEU A 84 0.508 2.643 5.687 1.00 0.00 O ATOM 1317 CB LEU A 84 1.045 2.943 2.616 1.00 0.00 C ATOM 1318 CG LEU A 84 1.383 3.773 1.377 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.609 3.211 0.676 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.196 3.819 0.426 1.00 0.00 C ATOM 0 H LEU A 84 1.242 5.119 3.797 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.994 3.534 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.951 2.832 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.753 1.944 2.291 1.00 0.00 H new ATOM 0 HG LEU A 84 1.607 4.791 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.834 3.815 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.459 3.232 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.414 2.183 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.454 4.414 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.060 2.806 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.658 4.270 0.932 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.282 1.744 4.661 1.00 0.00 N ATOM 1333 CA HIS A 85 -1.577 0.817 5.748 1.00 0.00 C ATOM 1334 C HIS A 85 -1.790 -0.596 5.214 1.00 0.00 C ATOM 1335 O HIS A 85 -2.924 -1.046 5.053 1.00 0.00 O ATOM 1336 CB HIS A 85 -2.816 1.277 6.517 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.506 2.194 7.660 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.604 1.879 8.655 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -2.982 3.424 7.962 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.541 2.875 9.520 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.367 3.825 9.122 1.00 0.00 N ATOM 0 H HIS A 85 -1.923 1.684 3.870 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.723 0.806 6.425 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.493 1.783 5.829 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.343 0.402 6.897 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.710 3.986 7.396 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -0.920 2.907 10.403 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.523 4.713 9.599 1.00 0.00 H new ATOM 1350 N THR A 86 -0.690 -1.292 4.940 1.00 0.00 N ATOM 1351 CA THR A 86 -0.757 -2.653 4.423 1.00 0.00 C ATOM 1352 C THR A 86 -0.810 -3.670 5.556 1.00 0.00 C ATOM 1353 O THR A 86 0.135 -3.795 6.336 1.00 0.00 O ATOM 1354 CB THR A 86 0.450 -2.969 3.519 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.634 -2.369 4.056 1.00 0.00 O ATOM 1356 CG2 THR A 86 0.215 -2.463 2.104 1.00 0.00 C ATOM 0 H THR A 86 0.257 -0.935 5.068 1.00 0.00 H new ATOM 0 HA THR A 86 -1.671 -2.723 3.834 1.00 0.00 H new ATOM 0 HB THR A 86 0.576 -4.051 3.483 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.662 -2.511 5.025 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.081 -2.698 1.485 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.670 -2.944 1.688 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.065 -1.384 2.124 1.00 0.00 H new ATOM 1364 N TYR A 87 -1.918 -4.396 5.642 1.00 0.00 N ATOM 1365 CA TYR A 87 -2.095 -5.402 6.682 1.00 0.00 C ATOM 1366 C TYR A 87 -2.331 -6.781 6.073 1.00 0.00 C ATOM 1367 O TYR A 87 -2.576 -6.909 4.873 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.267 -5.027 7.591 1.00 0.00 C ATOM 1369 CG TYR A 87 -2.886 -4.086 8.712 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -2.215 -2.898 8.449 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.197 -4.384 10.032 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -1.865 -2.035 9.470 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -2.852 -3.527 11.059 1.00 0.00 C ATOM 1374 CZ TYR A 87 -2.186 -2.354 10.773 1.00 0.00 C ATOM 1375 OH TYR A 87 -1.839 -1.497 11.793 1.00 0.00 O ATOM 0 H TYR A 87 -2.708 -4.307 5.003 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.181 -5.438 7.275 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.049 -4.564 6.989 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.690 -5.936 8.019 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.963 -2.645 7.430 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.718 -5.302 10.260 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.343 -1.116 9.249 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.102 -3.774 12.080 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.139 -1.869 12.649 1.00 0.00 H new ATOM 1385 N THR A 88 -2.256 -7.811 6.909 1.00 0.00 N ATOM 1386 CA THR A 88 -2.461 -9.181 6.455 1.00 0.00 C ATOM 1387 C THR A 88 -3.836 -9.697 6.865 1.00 0.00 C ATOM 1388 O THR A 88 -4.619 -8.977 7.485 1.00 0.00 O ATOM 1389 CB THR A 88 -1.382 -10.126 7.016 1.00 0.00 C ATOM 1390 OG1 THR A 88 -1.511 -10.227 8.439 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.011 -9.629 6.662 1.00 0.00 C ATOM 0 H THR A 88 -2.055 -7.723 7.905 1.00 0.00 H new ATOM 0 HA THR A 88 -2.391 -9.167 5.367 1.00 0.00 H new ATOM 0 HB THR A 88 -1.524 -11.109 6.568 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.631 -10.393 8.836 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.756 -10.313 7.069 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.116 -9.582 5.578 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.161 -8.636 7.085 1.00 0.00 H new ATOM 1399 N ILE A 89 -4.122 -10.946 6.516 1.00 0.00 N ATOM 1400 CA ILE A 89 -5.402 -11.558 6.850 1.00 0.00 C ATOM 1401 C ILE A 89 -5.499 -11.850 8.344 1.00 0.00 C ATOM 1402 O ILE A 89 -6.542 -11.640 8.963 1.00 0.00 O ATOM 1403 CB ILE A 89 -5.622 -12.866 6.067 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -5.727 -12.577 4.568 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.873 -13.576 6.564 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -4.393 -12.597 3.855 1.00 0.00 C ATOM 0 H ILE A 89 -3.485 -11.554 6.002 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.176 -10.843 6.571 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.766 -13.520 6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.386 -13.314 4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.192 -11.601 4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.016 -14.499 6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.762 -13.810 7.623 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.739 -12.928 6.424 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.543 -12.384 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.738 -11.841 4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.936 -13.580 3.966 1.00 0.00 H new ATOM 1418 N LYS A 90 -4.403 -12.336 8.918 1.00 0.00 N ATOM 1419 CA LYS A 90 -4.361 -12.655 10.340 1.00 0.00 C ATOM 1420 C LYS A 90 -4.404 -11.385 11.184 1.00 0.00 C ATOM 1421 O LYS A 90 -5.394 -11.114 11.863 1.00 0.00 O ATOM 1422 CB LYS A 90 -3.098 -13.454 10.667 1.00 0.00 C ATOM 1423 CG LYS A 90 -3.234 -14.943 10.396 1.00 0.00 C ATOM 1424 CD LYS A 90 -2.816 -15.291 8.978 1.00 0.00 C ATOM 1425 CE LYS A 90 -1.308 -15.451 8.864 1.00 0.00 C ATOM 1426 NZ LYS A 90 -0.900 -15.917 7.510 1.00 0.00 N ATOM 0 H LYS A 90 -3.532 -12.517 8.420 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.237 -13.258 10.578 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.267 -13.061 10.081 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.846 -13.306 11.717 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.621 -15.500 11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.267 -15.250 10.558 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.305 -16.215 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.152 -14.510 8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.824 -14.499 9.081 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.961 -16.163 9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.135 -16.014 7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.341 -16.838 7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.209 -15.225 6.797 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.325 -10.610 11.135 1.00 0.00 N ATOM 1441 CA GLU A 91 -3.242 -9.368 11.895 1.00 0.00 C ATOM 1442 C GLU A 91 -4.587 -8.647 11.908 1.00 0.00 C ATOM 1443 O GLU A 91 -5.035 -8.167 12.949 1.00 0.00 O ATOM 1444 CB GLU A 91 -2.167 -8.453 11.304 1.00 0.00 C ATOM 1445 CG GLU A 91 -0.761 -8.783 11.776 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.459 -10.268 11.718 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -1.044 -11.025 12.522 1.00 0.00 O ATOM 1448 OE2 GLU A 91 0.361 -10.674 10.869 1.00 0.00 O ATOM 0 H GLU A 91 -2.497 -10.820 10.578 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.973 -9.618 12.921 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.202 -8.521 10.217 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.396 -7.420 11.566 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.040 -8.245 11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.633 -8.430 12.799 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.224 -8.575 10.745 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.518 -7.912 10.622 1.00 0.00 C ATOM 1457 C TRP A 92 -7.621 -8.748 11.262 1.00 0.00 C ATOM 1458 O TRP A 92 -8.465 -8.225 11.988 1.00 0.00 O ATOM 1459 CB TRP A 92 -6.844 -7.655 9.151 1.00 0.00 C ATOM 1460 CG TRP A 92 -7.712 -6.452 8.936 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -8.851 -6.386 8.185 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -7.511 -5.142 9.478 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -9.369 -5.114 8.227 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -8.566 -4.332 9.014 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -6.543 -4.575 10.311 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -8.677 -2.987 9.356 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -6.654 -3.240 10.649 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -7.715 -2.458 10.173 1.00 0.00 C ATOM 0 H TRP A 92 -4.866 -8.967 9.874 1.00 0.00 H new ATOM 0 HA TRP A 92 -6.461 -6.958 11.146 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.914 -7.527 8.597 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.342 -8.532 8.738 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.281 -7.212 7.638 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -10.215 -4.803 7.749 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.722 -5.170 10.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -9.493 -2.382 8.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -5.910 -2.791 11.291 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -7.775 -1.418 10.456 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.606 -10.049 10.987 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.607 -10.956 11.537 1.00 0.00 C ATOM 1481 C GLU A 93 -8.846 -10.671 13.017 1.00 0.00 C ATOM 1482 O GLU A 93 -9.899 -10.998 13.562 1.00 0.00 O ATOM 1483 CB GLU A 93 -8.167 -12.409 11.351 1.00 0.00 C ATOM 1484 CG GLU A 93 -8.645 -13.028 10.047 1.00 0.00 C ATOM 1485 CD GLU A 93 -10.032 -13.631 10.162 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -11.008 -12.859 10.270 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -10.141 -14.875 10.143 1.00 0.00 O ATOM 0 H GLU A 93 -6.913 -10.498 10.388 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.541 -10.795 10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.079 -12.458 11.389 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.542 -13.003 12.184 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.647 -12.267 9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.942 -13.800 9.736 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.857 -10.058 13.662 1.00 0.00 N ATOM 1495 CA GLY A 94 -7.978 -9.740 15.073 1.00 0.00 C ATOM 1496 C GLY A 94 -6.763 -9.008 15.608 1.00 0.00 C ATOM 1497 O GLY A 94 -6.110 -9.473 16.543 1.00 0.00 O ATOM 0 H GLY A 94 -6.976 -9.776 13.233 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.866 -9.127 15.229 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.122 -10.660 15.639 1.00 0.00 H new