USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=12 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 144:sc= -0.308 (180deg=-2.26!) 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=-0.071) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -1.01 USER MOD Single : A 62 ASN : amide:sc= -0.0777 K(o=-0.078,f=-1.7!) USER MOD Single : A 64 HIS : no HD1:sc= -0.0636 X(o=-0.064,f=-0.007) USER MOD Single : A 66 MET CE :methyl -108:sc= -0.684 (180deg=-4.65!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 70:sc= 0.131 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 61:sc= 0.467 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.018) USER MOD Single : A 86 THR OG1 : rot 41:sc= 0.0782 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -12.457 11.439 -9.955 1.00 0.00 N ATOM 84 CA MET A 9 -11.922 11.530 -8.602 1.00 0.00 C ATOM 85 C MET A 9 -10.569 10.832 -8.505 1.00 0.00 C ATOM 86 O MET A 9 -10.100 10.230 -9.471 1.00 0.00 O ATOM 87 CB MET A 9 -12.900 10.914 -7.601 1.00 0.00 C ATOM 88 CG MET A 9 -14.270 11.572 -7.606 1.00 0.00 C ATOM 89 SD MET A 9 -14.379 12.958 -6.457 1.00 0.00 S ATOM 90 CE MET A 9 -13.687 14.277 -7.450 1.00 0.00 C ATOM 0 HA MET A 9 -11.785 12.584 -8.362 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.015 9.853 -7.824 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.475 10.986 -6.600 1.00 0.00 H new ATOM 0 HG2 MET A 9 -14.497 11.921 -8.613 1.00 0.00 H new ATOM 0 HG3 MET A 9 -15.026 10.830 -7.348 1.00 0.00 H new ATOM 0 HE1 MET A 9 -14.210 15.208 -7.234 1.00 0.00 H new ATOM 0 HE2 MET A 9 -12.629 14.392 -7.215 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.800 14.034 -8.507 1.00 0.00 H new ATOM 100 N ILE A 10 -9.947 10.917 -7.333 1.00 0.00 N ATOM 101 CA ILE A 10 -8.649 10.292 -7.111 1.00 0.00 C ATOM 102 C ILE A 10 -8.800 8.942 -6.417 1.00 0.00 C ATOM 103 O ILE A 10 -8.088 7.989 -6.731 1.00 0.00 O ATOM 104 CB ILE A 10 -7.729 11.191 -6.265 1.00 0.00 C ATOM 105 CG1 ILE A 10 -7.602 12.575 -6.906 1.00 0.00 C ATOM 106 CG2 ILE A 10 -6.360 10.548 -6.105 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.739 12.588 -8.148 1.00 0.00 C ATOM 0 H ILE A 10 -10.321 11.412 -6.524 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.198 10.145 -8.092 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.171 11.308 -5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.597 12.941 -7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.184 13.268 -6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.722 11.196 -5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.467 9.583 -5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.909 10.403 -7.087 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.694 13.601 -8.549 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.733 12.252 -7.896 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.167 11.921 -8.896 1.00 0.00 H new ATOM 119 N ARG A 11 -9.734 8.869 -5.474 1.00 0.00 N ATOM 120 CA ARG A 11 -9.979 7.636 -4.736 1.00 0.00 C ATOM 121 C ARG A 11 -10.111 6.450 -5.687 1.00 0.00 C ATOM 122 O ARG A 11 -9.390 5.461 -5.563 1.00 0.00 O ATOM 123 CB ARG A 11 -11.247 7.767 -3.889 1.00 0.00 C ATOM 124 CG ARG A 11 -11.171 8.872 -2.847 1.00 0.00 C ATOM 125 CD ARG A 11 -12.461 8.973 -2.048 1.00 0.00 C ATOM 126 NE ARG A 11 -13.552 9.537 -2.839 1.00 0.00 N ATOM 127 CZ ARG A 11 -14.800 9.646 -2.397 1.00 0.00 C ATOM 128 NH1 ARG A 11 -15.114 9.231 -1.177 1.00 0.00 N ATOM 129 NH2 ARG A 11 -15.737 10.171 -3.176 1.00 0.00 N ATOM 0 H ARG A 11 -10.333 9.649 -5.203 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.127 7.460 -4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.095 7.957 -4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.439 6.818 -3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.337 8.680 -2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.970 9.824 -3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.745 7.983 -1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.294 9.593 -1.167 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.344 9.865 -3.782 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.396 8.827 -0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.073 9.316 -0.840 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.499 10.491 -4.115 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.695 10.254 -2.836 1.00 0.00 H new ATOM 143 N GLU A 12 -11.036 6.558 -6.635 1.00 0.00 N ATOM 144 CA GLU A 12 -11.263 5.494 -7.606 1.00 0.00 C ATOM 145 C GLU A 12 -10.011 5.245 -8.442 1.00 0.00 C ATOM 146 O GLU A 12 -9.611 4.100 -8.655 1.00 0.00 O ATOM 147 CB GLU A 12 -12.438 5.848 -8.519 1.00 0.00 C ATOM 148 CG GLU A 12 -12.281 7.186 -9.221 1.00 0.00 C ATOM 149 CD GLU A 12 -13.433 7.491 -10.160 1.00 0.00 C ATOM 150 OE1 GLU A 12 -13.754 6.629 -11.004 1.00 0.00 O ATOM 151 OE2 GLU A 12 -14.012 8.592 -10.049 1.00 0.00 O ATOM 0 H GLU A 12 -11.640 7.371 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.501 4.582 -7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.553 5.065 -9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.354 5.862 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.206 7.977 -8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.348 7.189 -9.784 1.00 0.00 H new ATOM 158 N ARG A 13 -9.397 6.325 -8.913 1.00 0.00 N ATOM 159 CA ARG A 13 -8.192 6.225 -9.727 1.00 0.00 C ATOM 160 C ARG A 13 -7.121 5.405 -9.015 1.00 0.00 C ATOM 161 O ARG A 13 -6.305 4.741 -9.655 1.00 0.00 O ATOM 162 CB ARG A 13 -7.651 7.620 -10.049 1.00 0.00 C ATOM 163 CG ARG A 13 -8.295 8.256 -11.270 1.00 0.00 C ATOM 164 CD ARG A 13 -7.472 9.425 -11.789 1.00 0.00 C ATOM 165 NE ARG A 13 -8.283 10.367 -12.556 1.00 0.00 N ATOM 166 CZ ARG A 13 -7.773 11.262 -13.394 1.00 0.00 C ATOM 167 NH1 ARG A 13 -6.461 11.336 -13.573 1.00 0.00 N ATOM 168 NH2 ARG A 13 -8.576 12.085 -14.057 1.00 0.00 N ATOM 0 H ARG A 13 -9.714 7.280 -8.745 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.453 5.720 -10.657 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.807 8.269 -9.187 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.575 7.555 -10.209 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.404 7.509 -12.056 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.298 8.600 -11.016 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.010 9.944 -10.949 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.663 9.049 -12.415 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.296 10.336 -12.442 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.841 10.704 -13.066 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.072 12.025 -14.217 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.586 12.030 -13.923 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.183 12.772 -14.700 1.00 0.00 H new ATOM 182 N ILE A 14 -7.129 5.456 -7.687 1.00 0.00 N ATOM 183 CA ILE A 14 -6.159 4.717 -6.888 1.00 0.00 C ATOM 184 C ILE A 14 -6.520 3.237 -6.816 1.00 0.00 C ATOM 185 O ILE A 14 -5.726 2.376 -7.192 1.00 0.00 O ATOM 186 CB ILE A 14 -6.061 5.281 -5.458 1.00 0.00 C ATOM 187 CG1 ILE A 14 -5.349 6.635 -5.468 1.00 0.00 C ATOM 188 CG2 ILE A 14 -5.333 4.300 -4.551 1.00 0.00 C ATOM 189 CD1 ILE A 14 -5.423 7.366 -4.146 1.00 0.00 C ATOM 0 H ILE A 14 -7.797 6.001 -7.142 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.193 4.829 -7.381 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.069 5.425 -5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.302 6.484 -5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.787 7.261 -6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.272 4.712 -3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.878 3.356 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.327 4.127 -4.934 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.897 8.317 -4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.466 7.549 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.959 6.760 -3.368 1.00 0.00 H new ATOM 201 N GLU A 15 -7.724 2.950 -6.331 1.00 0.00 N ATOM 202 CA GLU A 15 -8.190 1.574 -6.210 1.00 0.00 C ATOM 203 C GLU A 15 -8.199 0.881 -7.570 1.00 0.00 C ATOM 204 O GLU A 15 -7.569 -0.160 -7.751 1.00 0.00 O ATOM 205 CB GLU A 15 -9.592 1.539 -5.599 1.00 0.00 C ATOM 206 CG GLU A 15 -9.604 1.736 -4.092 1.00 0.00 C ATOM 207 CD GLU A 15 -11.008 1.773 -3.520 1.00 0.00 C ATOM 208 OE1 GLU A 15 -11.643 0.701 -3.438 1.00 0.00 O ATOM 209 OE2 GLU A 15 -11.472 2.874 -3.154 1.00 0.00 O ATOM 0 H GLU A 15 -8.394 3.652 -6.016 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.502 1.041 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.201 2.315 -6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.059 0.583 -5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.044 0.929 -3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.091 2.666 -3.847 1.00 0.00 H new ATOM 216 N GLU A 16 -8.918 1.468 -8.522 1.00 0.00 N ATOM 217 CA GLU A 16 -9.009 0.907 -9.865 1.00 0.00 C ATOM 218 C GLU A 16 -7.685 0.273 -10.281 1.00 0.00 C ATOM 219 O GLU A 16 -7.658 -0.689 -11.049 1.00 0.00 O ATOM 220 CB GLU A 16 -9.407 1.991 -10.869 1.00 0.00 C ATOM 221 CG GLU A 16 -8.268 2.927 -11.236 1.00 0.00 C ATOM 222 CD GLU A 16 -8.593 3.798 -12.434 1.00 0.00 C ATOM 223 OE1 GLU A 16 -9.585 4.553 -12.366 1.00 0.00 O ATOM 224 OE2 GLU A 16 -7.855 3.725 -13.439 1.00 0.00 O ATOM 0 H GLU A 16 -9.445 2.331 -8.388 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.775 0.132 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.782 1.515 -11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.227 2.576 -10.453 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.035 3.563 -10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.375 2.340 -11.450 1.00 0.00 H new ATOM 231 N LYS A 17 -6.587 0.820 -9.769 1.00 0.00 N ATOM 232 CA LYS A 17 -5.259 0.310 -10.086 1.00 0.00 C ATOM 233 C LYS A 17 -4.903 -0.874 -9.192 1.00 0.00 C ATOM 234 O LYS A 17 -4.531 -1.942 -9.679 1.00 0.00 O ATOM 235 CB LYS A 17 -4.214 1.417 -9.925 1.00 0.00 C ATOM 236 CG LYS A 17 -4.107 2.333 -11.132 1.00 0.00 C ATOM 237 CD LYS A 17 -3.087 1.818 -12.134 1.00 0.00 C ATOM 238 CE LYS A 17 -2.631 2.918 -13.080 1.00 0.00 C ATOM 239 NZ LYS A 17 -1.677 2.409 -14.104 1.00 0.00 N ATOM 0 H LYS A 17 -6.591 1.617 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.264 -0.029 -11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.462 2.014 -9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.241 0.962 -9.737 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.081 2.417 -11.614 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.825 3.334 -10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.226 1.413 -11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.521 0.999 -12.708 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.499 3.353 -13.576 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.158 3.716 -12.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.390 3.189 -14.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.837 2.017 -13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.136 1.665 -14.667 1.00 0.00 H new ATOM 253 N LEU A 18 -5.021 -0.677 -7.884 1.00 0.00 N ATOM 254 CA LEU A 18 -4.713 -1.730 -6.922 1.00 0.00 C ATOM 255 C LEU A 18 -5.518 -2.992 -7.219 1.00 0.00 C ATOM 256 O LEU A 18 -4.970 -4.093 -7.259 1.00 0.00 O ATOM 257 CB LEU A 18 -5.005 -1.249 -5.499 1.00 0.00 C ATOM 258 CG LEU A 18 -4.408 0.105 -5.113 1.00 0.00 C ATOM 259 CD1 LEU A 18 -5.110 0.668 -3.887 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.913 -0.024 -4.861 1.00 0.00 C ATOM 0 H LEU A 18 -5.327 0.201 -7.465 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.653 -1.968 -7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.086 -1.197 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.635 -1.999 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.558 0.796 -5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.672 1.632 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.171 0.798 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.992 -0.022 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.505 0.949 -4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.740 -0.731 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.421 -0.383 -5.765 1.00 0.00 H new ATOM 272 N ARG A 19 -6.819 -2.822 -7.429 1.00 0.00 N ATOM 273 CA ARG A 19 -7.699 -3.946 -7.723 1.00 0.00 C ATOM 274 C ARG A 19 -6.998 -4.965 -8.618 1.00 0.00 C ATOM 275 O ARG A 19 -6.990 -6.160 -8.327 1.00 0.00 O ATOM 276 CB ARG A 19 -8.981 -3.455 -8.398 1.00 0.00 C ATOM 277 CG ARG A 19 -9.949 -2.775 -7.445 1.00 0.00 C ATOM 278 CD ARG A 19 -10.846 -3.785 -6.747 1.00 0.00 C ATOM 279 NE ARG A 19 -12.145 -3.215 -6.400 1.00 0.00 N ATOM 280 CZ ARG A 19 -13.011 -3.803 -5.582 1.00 0.00 C ATOM 281 NH1 ARG A 19 -12.717 -4.971 -5.029 1.00 0.00 N ATOM 282 NH2 ARG A 19 -14.173 -3.221 -5.314 1.00 0.00 N ATOM 0 H ARG A 19 -7.287 -1.916 -7.401 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.956 -4.431 -6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.718 -2.758 -9.194 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.481 -4.302 -8.868 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.390 -2.208 -6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.562 -2.061 -7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.991 -4.650 -7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.354 -4.143 -5.843 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.401 -2.316 -6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.824 -5.421 -5.231 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.384 -5.420 -4.401 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.402 -2.321 -5.736 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.837 -3.673 -4.686 1.00 0.00 H new ATOM 296 N ALA A 20 -6.412 -4.482 -9.709 1.00 0.00 N ATOM 297 CA ALA A 20 -5.707 -5.349 -10.645 1.00 0.00 C ATOM 298 C ALA A 20 -4.227 -5.451 -10.292 1.00 0.00 C ATOM 299 O ALA A 20 -3.561 -6.423 -10.646 1.00 0.00 O ATOM 300 CB ALA A 20 -5.879 -4.839 -12.068 1.00 0.00 C ATOM 0 H ALA A 20 -6.412 -3.495 -9.966 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.139 -6.347 -10.574 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.347 -5.496 -12.757 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.938 -4.826 -12.324 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.475 -3.830 -12.144 1.00 0.00 H new ATOM 306 N ALA A 21 -3.720 -4.440 -9.594 1.00 0.00 N ATOM 307 CA ALA A 21 -2.318 -4.417 -9.192 1.00 0.00 C ATOM 308 C ALA A 21 -1.937 -5.698 -8.459 1.00 0.00 C ATOM 309 O ALA A 21 -1.032 -6.420 -8.879 1.00 0.00 O ATOM 310 CB ALA A 21 -2.040 -3.203 -8.319 1.00 0.00 C ATOM 0 H ALA A 21 -4.258 -3.627 -9.295 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.707 -4.350 -10.092 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.990 -3.198 -8.026 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.265 -2.294 -8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.665 -3.245 -7.427 1.00 0.00 H new ATOM 316 N PHE A 22 -2.631 -5.975 -7.360 1.00 0.00 N ATOM 317 CA PHE A 22 -2.363 -7.169 -6.566 1.00 0.00 C ATOM 318 C PHE A 22 -3.611 -8.040 -6.457 1.00 0.00 C ATOM 319 O PHE A 22 -3.520 -9.267 -6.403 1.00 0.00 O ATOM 320 CB PHE A 22 -1.875 -6.780 -5.170 1.00 0.00 C ATOM 321 CG PHE A 22 -0.588 -6.006 -5.178 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.630 -6.662 -5.241 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.596 -4.621 -5.124 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.817 -5.953 -5.249 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.587 -3.907 -5.133 1.00 0.00 C ATOM 326 CZ PHE A 22 1.795 -4.574 -5.194 1.00 0.00 C ATOM 0 H PHE A 22 -3.383 -5.389 -6.999 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.584 -7.742 -7.068 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.644 -6.185 -4.678 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.742 -7.684 -4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.653 -7.741 -5.284 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.537 -4.094 -5.074 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.760 -6.477 -5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.567 -2.828 -5.092 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.721 -4.018 -5.199 1.00 0.00 H new ATOM 336 N GLN A 23 -4.774 -7.397 -6.425 1.00 0.00 N ATOM 337 CA GLN A 23 -6.039 -8.114 -6.320 1.00 0.00 C ATOM 338 C GLN A 23 -6.228 -8.685 -4.919 1.00 0.00 C ATOM 339 O GLN A 23 -6.486 -9.875 -4.737 1.00 0.00 O ATOM 340 CB GLN A 23 -6.100 -9.239 -7.355 1.00 0.00 C ATOM 341 CG GLN A 23 -5.533 -8.850 -8.711 1.00 0.00 C ATOM 342 CD GLN A 23 -5.501 -10.011 -9.685 1.00 0.00 C ATOM 343 OE1 GLN A 23 -6.477 -10.750 -9.820 1.00 0.00 O ATOM 344 NE2 GLN A 23 -4.377 -10.177 -10.372 1.00 0.00 N ATOM 0 H GLN A 23 -4.866 -6.382 -6.470 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.845 -7.406 -6.515 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.552 -10.101 -6.975 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.137 -9.551 -7.480 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.132 -8.043 -9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.523 -8.462 -8.580 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.593 -9.541 -10.228 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.298 -10.941 -11.043 1.00 0.00 H new ATOM 353 N PRO A 24 -6.095 -7.819 -3.904 1.00 0.00 N ATOM 354 CA PRO A 24 -6.247 -8.214 -2.500 1.00 0.00 C ATOM 355 C PRO A 24 -7.690 -8.558 -2.148 1.00 0.00 C ATOM 356 O PRO A 24 -8.556 -8.617 -3.021 1.00 0.00 O ATOM 357 CB PRO A 24 -5.790 -6.973 -1.730 1.00 0.00 C ATOM 358 CG PRO A 24 -6.024 -5.839 -2.667 1.00 0.00 C ATOM 359 CD PRO A 24 -5.788 -6.386 -4.047 1.00 0.00 C ATOM 0 HA PRO A 24 -5.675 -9.112 -2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.357 -6.848 -0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.739 -7.045 -1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.039 -5.454 -2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.347 -5.011 -2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.434 -5.909 -4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.760 -6.226 -4.372 1.00 0.00 H new ATOM 367 N VAL A 25 -7.943 -8.785 -0.862 1.00 0.00 N ATOM 368 CA VAL A 25 -9.282 -9.121 -0.394 1.00 0.00 C ATOM 369 C VAL A 25 -9.983 -7.900 0.190 1.00 0.00 C ATOM 370 O VAL A 25 -11.211 -7.818 0.193 1.00 0.00 O ATOM 371 CB VAL A 25 -9.241 -10.234 0.670 1.00 0.00 C ATOM 372 CG1 VAL A 25 -8.484 -9.766 1.903 1.00 0.00 C ATOM 373 CG2 VAL A 25 -10.651 -10.673 1.035 1.00 0.00 C ATOM 0 H VAL A 25 -7.238 -8.742 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.840 -9.476 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.714 -11.092 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.465 -10.565 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.463 -9.505 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.980 -8.892 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.604 -11.460 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.205 -9.823 1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.156 -11.051 0.146 1.00 0.00 H new ATOM 383 N PHE A 26 -9.194 -6.952 0.684 1.00 0.00 N ATOM 384 CA PHE A 26 -9.738 -5.733 1.272 1.00 0.00 C ATOM 385 C PHE A 26 -9.178 -4.496 0.576 1.00 0.00 C ATOM 386 O PHE A 26 -8.034 -4.491 0.120 1.00 0.00 O ATOM 387 CB PHE A 26 -9.422 -5.678 2.768 1.00 0.00 C ATOM 388 CG PHE A 26 -10.295 -4.723 3.530 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.675 -4.797 3.435 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.735 -3.749 4.342 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.481 -3.919 4.135 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.535 -2.869 5.045 1.00 0.00 C ATOM 393 CZ PHE A 26 -11.910 -2.953 4.941 1.00 0.00 C ATOM 0 H PHE A 26 -8.175 -7.004 0.689 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.819 -5.746 1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.533 -6.676 3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.379 -5.389 2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -12.127 -5.550 2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.661 -3.677 4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.556 -3.988 4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.086 -2.116 5.675 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.537 -2.265 5.489 1.00 0.00 H new ATOM 403 N LEU A 27 -9.993 -3.449 0.498 1.00 0.00 N ATOM 404 CA LEU A 27 -9.580 -2.205 -0.142 1.00 0.00 C ATOM 405 C LEU A 27 -10.468 -1.046 0.298 1.00 0.00 C ATOM 406 O LEU A 27 -11.666 -1.030 0.021 1.00 0.00 O ATOM 407 CB LEU A 27 -9.629 -2.351 -1.664 1.00 0.00 C ATOM 408 CG LEU A 27 -8.630 -1.505 -2.452 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.204 -1.869 -2.071 1.00 0.00 C ATOM 410 CD2 LEU A 27 -8.845 -1.680 -3.949 1.00 0.00 C ATOM 0 H LEU A 27 -10.943 -3.437 0.870 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.556 -1.990 0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.464 -3.399 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.634 -2.098 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.795 -0.457 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.507 -1.256 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.055 -1.691 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.026 -2.922 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.125 -1.070 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.709 -2.728 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.856 -1.368 -4.210 1.00 0.00 H new ATOM 422 N GLU A 28 -9.870 -0.076 0.984 1.00 0.00 N ATOM 423 CA GLU A 28 -10.607 1.088 1.461 1.00 0.00 C ATOM 424 C GLU A 28 -9.738 2.341 1.407 1.00 0.00 C ATOM 425 O GLU A 28 -8.584 2.329 1.835 1.00 0.00 O ATOM 426 CB GLU A 28 -11.100 0.856 2.891 1.00 0.00 C ATOM 427 CG GLU A 28 -11.837 2.047 3.480 1.00 0.00 C ATOM 428 CD GLU A 28 -13.300 2.084 3.080 1.00 0.00 C ATOM 429 OE1 GLU A 28 -13.847 1.015 2.737 1.00 0.00 O ATOM 430 OE2 GLU A 28 -13.896 3.180 3.110 1.00 0.00 O ATOM 0 H GLU A 28 -8.878 -0.074 1.221 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.467 1.235 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.760 -0.011 2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.247 0.616 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.762 2.015 4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.352 2.967 3.154 1.00 0.00 H new ATOM 437 N VAL A 29 -10.302 3.422 0.877 1.00 0.00 N ATOM 438 CA VAL A 29 -9.580 4.685 0.767 1.00 0.00 C ATOM 439 C VAL A 29 -10.249 5.774 1.598 1.00 0.00 C ATOM 440 O VAL A 29 -11.473 5.809 1.725 1.00 0.00 O ATOM 441 CB VAL A 29 -9.490 5.154 -0.697 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.525 6.322 -0.825 1.00 0.00 C ATOM 443 CG2 VAL A 29 -9.070 4.003 -1.600 1.00 0.00 C ATOM 0 H VAL A 29 -11.256 3.449 0.517 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.574 4.509 1.147 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.477 5.493 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.474 6.640 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.874 7.151 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.534 6.014 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.011 4.352 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.094 3.632 -1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.803 3.200 -1.530 1.00 0.00 H new ATOM 453 N VAL A 30 -9.437 6.663 2.161 1.00 0.00 N ATOM 454 CA VAL A 30 -9.950 7.756 2.979 1.00 0.00 C ATOM 455 C VAL A 30 -9.303 9.081 2.594 1.00 0.00 C ATOM 456 O VAL A 30 -8.219 9.417 3.072 1.00 0.00 O ATOM 457 CB VAL A 30 -9.709 7.496 4.478 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.210 8.666 5.310 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.378 6.200 4.908 1.00 0.00 C ATOM 0 H VAL A 30 -8.422 6.648 2.066 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.023 7.812 2.795 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.636 7.396 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.031 8.464 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.680 9.573 5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.279 8.801 5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.197 6.032 5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.451 6.268 4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.966 5.370 4.334 1.00 0.00 H new ATOM 469 N ASP A 31 -9.974 9.831 1.727 1.00 0.00 N ATOM 470 CA ASP A 31 -9.466 11.122 1.277 1.00 0.00 C ATOM 471 C ASP A 31 -10.307 12.263 1.841 1.00 0.00 C ATOM 472 O ASP A 31 -11.523 12.141 1.978 1.00 0.00 O ATOM 473 CB ASP A 31 -9.455 11.186 -0.251 1.00 0.00 C ATOM 474 CG ASP A 31 -9.406 12.609 -0.770 1.00 0.00 C ATOM 475 OD1 ASP A 31 -8.374 13.282 -0.563 1.00 0.00 O ATOM 476 OD2 ASP A 31 -10.400 13.051 -1.384 1.00 0.00 O ATOM 0 H ASP A 31 -10.872 9.567 1.321 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.445 11.231 1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.594 10.635 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.345 10.691 -0.639 1.00 0.00 H new ATOM 481 N GLU A 32 -9.649 13.371 2.167 1.00 0.00 N ATOM 482 CA GLU A 32 -10.336 14.533 2.717 1.00 0.00 C ATOM 483 C GLU A 32 -10.419 15.655 1.687 1.00 0.00 C ATOM 484 O GLU A 32 -9.656 16.620 1.741 1.00 0.00 O ATOM 485 CB GLU A 32 -9.618 15.031 3.973 1.00 0.00 C ATOM 486 CG GLU A 32 -9.903 14.195 5.209 1.00 0.00 C ATOM 487 CD GLU A 32 -9.622 14.945 6.498 1.00 0.00 C ATOM 488 OE1 GLU A 32 -8.580 15.628 6.573 1.00 0.00 O ATOM 489 OE2 GLU A 32 -10.447 14.848 7.431 1.00 0.00 O ATOM 0 H GLU A 32 -8.641 13.488 2.060 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.349 14.231 2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.544 15.037 3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.914 16.062 4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.946 13.879 5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.296 13.290 5.179 1.00 0.00 H new ATOM 686 N PHE A 46 -3.591 11.588 3.535 1.00 0.00 N ATOM 687 CA PHE A 46 -4.230 10.527 2.765 1.00 0.00 C ATOM 688 C PHE A 46 -3.991 9.166 3.412 1.00 0.00 C ATOM 689 O PHE A 46 -2.965 8.942 4.055 1.00 0.00 O ATOM 690 CB PHE A 46 -3.701 10.521 1.329 1.00 0.00 C ATOM 691 CG PHE A 46 -4.703 10.032 0.323 1.00 0.00 C ATOM 692 CD1 PHE A 46 -4.909 8.675 0.133 1.00 0.00 C ATOM 693 CD2 PHE A 46 -5.440 10.930 -0.433 1.00 0.00 C ATOM 694 CE1 PHE A 46 -5.831 8.222 -0.791 1.00 0.00 C ATOM 695 CE2 PHE A 46 -6.364 10.482 -1.359 1.00 0.00 C ATOM 696 CZ PHE A 46 -6.558 9.127 -1.539 1.00 0.00 C ATOM 0 HA PHE A 46 -5.303 10.719 2.749 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.391 11.531 1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.812 9.892 1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.342 7.963 0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.291 11.991 -0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.983 7.162 -0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.933 11.191 -1.941 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.277 8.775 -2.264 1.00 0.00 H new ATOM 706 N LYS A 47 -4.946 8.259 3.239 1.00 0.00 N ATOM 707 CA LYS A 47 -4.842 6.919 3.804 1.00 0.00 C ATOM 708 C LYS A 47 -5.290 5.867 2.795 1.00 0.00 C ATOM 709 O LYS A 47 -6.208 6.098 2.008 1.00 0.00 O ATOM 710 CB LYS A 47 -5.686 6.813 5.076 1.00 0.00 C ATOM 711 CG LYS A 47 -5.843 5.391 5.585 1.00 0.00 C ATOM 712 CD LYS A 47 -7.171 5.197 6.297 1.00 0.00 C ATOM 713 CE LYS A 47 -7.045 5.452 7.791 1.00 0.00 C ATOM 714 NZ LYS A 47 -8.321 5.947 8.379 1.00 0.00 N ATOM 0 H LYS A 47 -5.802 8.428 2.711 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.797 6.737 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.229 7.421 5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.674 7.232 4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.772 4.695 4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.026 5.155 6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.914 5.872 5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.530 4.182 6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.747 4.531 8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.256 6.182 7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.194 6.109 9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.593 6.839 7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.069 5.239 8.231 1.00 0.00 H new ATOM 728 N VAL A 48 -4.637 4.709 2.825 1.00 0.00 N ATOM 729 CA VAL A 48 -4.970 3.620 1.915 1.00 0.00 C ATOM 730 C VAL A 48 -4.867 2.269 2.614 1.00 0.00 C ATOM 731 O VAL A 48 -3.770 1.778 2.881 1.00 0.00 O ATOM 732 CB VAL A 48 -4.050 3.618 0.681 1.00 0.00 C ATOM 733 CG1 VAL A 48 -4.178 2.307 -0.080 1.00 0.00 C ATOM 734 CG2 VAL A 48 -4.367 4.801 -0.222 1.00 0.00 C ATOM 0 H VAL A 48 -3.874 4.501 3.470 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.998 3.782 1.592 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.018 3.714 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.520 2.325 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.897 1.479 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.209 2.176 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.707 4.784 -1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.404 4.738 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.218 5.730 0.329 1.00 0.00 H new ATOM 744 N VAL A 49 -6.018 1.671 2.908 1.00 0.00 N ATOM 745 CA VAL A 49 -6.058 0.375 3.575 1.00 0.00 C ATOM 746 C VAL A 49 -6.192 -0.759 2.564 1.00 0.00 C ATOM 747 O VAL A 49 -7.211 -0.881 1.883 1.00 0.00 O ATOM 748 CB VAL A 49 -7.224 0.295 4.577 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.231 -1.052 5.283 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.140 1.433 5.583 1.00 0.00 C ATOM 0 H VAL A 49 -6.935 2.064 2.695 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.117 0.268 4.115 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.160 0.394 4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.062 -1.089 5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.343 -1.848 4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.293 -1.185 5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.972 1.361 6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.199 1.367 6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.189 2.387 5.058 1.00 0.00 H new ATOM 760 N LEU A 50 -5.157 -1.587 2.472 1.00 0.00 N ATOM 761 CA LEU A 50 -5.159 -2.713 1.545 1.00 0.00 C ATOM 762 C LEU A 50 -4.626 -3.974 2.218 1.00 0.00 C ATOM 763 O LEU A 50 -3.443 -4.061 2.550 1.00 0.00 O ATOM 764 CB LEU A 50 -4.315 -2.384 0.311 1.00 0.00 C ATOM 765 CG LEU A 50 -4.387 -3.390 -0.838 1.00 0.00 C ATOM 766 CD1 LEU A 50 -4.087 -2.708 -2.164 1.00 0.00 C ATOM 767 CD2 LEU A 50 -3.423 -4.543 -0.599 1.00 0.00 C ATOM 0 H LEU A 50 -4.306 -1.500 3.028 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.188 -2.896 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.624 -1.409 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.274 -2.291 0.621 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.399 -3.792 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.143 -3.439 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.817 -1.918 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.086 -2.277 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.488 -5.249 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.406 -4.158 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.684 -5.049 0.331 1.00 0.00 H new ATOM 779 N VAL A 51 -5.506 -4.950 2.415 1.00 0.00 N ATOM 780 CA VAL A 51 -5.123 -6.208 3.045 1.00 0.00 C ATOM 781 C VAL A 51 -4.488 -7.158 2.036 1.00 0.00 C ATOM 782 O VAL A 51 -4.938 -7.260 0.896 1.00 0.00 O ATOM 783 CB VAL A 51 -6.336 -6.902 3.694 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.961 -8.297 4.171 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.877 -6.064 4.842 1.00 0.00 C ATOM 0 H VAL A 51 -6.489 -4.894 2.148 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.395 -5.965 3.819 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.121 -7.000 2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.830 -8.772 4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.625 -8.893 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.159 -8.227 4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.733 -6.569 5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.100 -5.933 5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.186 -5.089 4.466 1.00 0.00 H new ATOM 795 N SER A 52 -3.438 -7.852 2.465 1.00 0.00 N ATOM 796 CA SER A 52 -2.738 -8.791 1.598 1.00 0.00 C ATOM 797 C SER A 52 -1.757 -9.643 2.399 1.00 0.00 C ATOM 798 O SER A 52 -1.399 -9.302 3.526 1.00 0.00 O ATOM 799 CB SER A 52 -1.993 -8.040 0.492 1.00 0.00 C ATOM 800 OG SER A 52 -2.812 -7.874 -0.652 1.00 0.00 O ATOM 0 H SER A 52 -3.054 -7.781 3.407 1.00 0.00 H new ATOM 0 HA SER A 52 -3.479 -9.450 1.145 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.676 -7.065 0.861 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.090 -8.587 0.221 1.00 0.00 H new ATOM 0 HG SER A 52 -2.314 -7.390 -1.343 1.00 0.00 H new ATOM 806 N ASP A 53 -1.327 -10.752 1.808 1.00 0.00 N ATOM 807 CA ASP A 53 -0.386 -11.653 2.465 1.00 0.00 C ATOM 808 C ASP A 53 1.042 -11.376 2.006 1.00 0.00 C ATOM 809 O ASP A 53 1.996 -11.581 2.757 1.00 0.00 O ATOM 810 CB ASP A 53 -0.755 -13.108 2.175 1.00 0.00 C ATOM 811 CG ASP A 53 -1.244 -13.310 0.754 1.00 0.00 C ATOM 812 OD1 ASP A 53 -0.489 -12.983 -0.185 1.00 0.00 O ATOM 813 OD2 ASP A 53 -2.381 -13.797 0.582 1.00 0.00 O ATOM 0 H ASP A 53 -1.615 -11.049 0.876 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.443 -11.479 3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.114 -13.742 2.350 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.529 -13.429 2.872 1.00 0.00 H new ATOM 818 N ARG A 54 1.181 -10.911 0.769 1.00 0.00 N ATOM 819 CA ARG A 54 2.493 -10.609 0.210 1.00 0.00 C ATOM 820 C ARG A 54 3.333 -9.805 1.198 1.00 0.00 C ATOM 821 O ARG A 54 4.563 -9.859 1.171 1.00 0.00 O ATOM 822 CB ARG A 54 2.346 -9.833 -1.101 1.00 0.00 C ATOM 823 CG ARG A 54 1.808 -10.672 -2.248 1.00 0.00 C ATOM 824 CD ARG A 54 2.846 -11.667 -2.745 1.00 0.00 C ATOM 825 NE ARG A 54 3.924 -11.012 -3.481 1.00 0.00 N ATOM 826 CZ ARG A 54 5.034 -10.558 -2.909 1.00 0.00 C ATOM 827 NH1 ARG A 54 5.211 -10.688 -1.601 1.00 0.00 N ATOM 828 NH2 ARG A 54 5.970 -9.974 -3.646 1.00 0.00 N ATOM 0 H ARG A 54 0.402 -10.735 0.135 1.00 0.00 H new ATOM 0 HA ARG A 54 3.001 -11.552 0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.680 -8.985 -0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.317 -9.426 -1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.916 -11.207 -1.922 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.506 -10.019 -3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.264 -12.209 -1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.364 -12.403 -3.388 1.00 0.00 H new ATOM 0 HE ARG A 54 3.819 -10.897 -4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.494 -11.137 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.064 -10.339 -1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.838 -9.873 -4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.822 -9.626 -3.206 1.00 0.00 H new ATOM 842 N PHE A 55 2.661 -9.059 2.068 1.00 0.00 N ATOM 843 CA PHE A 55 3.345 -8.243 3.064 1.00 0.00 C ATOM 844 C PHE A 55 3.537 -9.018 4.365 1.00 0.00 C ATOM 845 O PHE A 55 3.367 -8.474 5.457 1.00 0.00 O ATOM 846 CB PHE A 55 2.555 -6.960 3.333 1.00 0.00 C ATOM 847 CG PHE A 55 2.120 -6.251 2.082 1.00 0.00 C ATOM 848 CD1 PHE A 55 1.024 -6.699 1.363 1.00 0.00 C ATOM 849 CD2 PHE A 55 2.806 -5.137 1.627 1.00 0.00 C ATOM 850 CE1 PHE A 55 0.621 -6.049 0.211 1.00 0.00 C ATOM 851 CE2 PHE A 55 2.408 -4.483 0.476 1.00 0.00 C ATOM 852 CZ PHE A 55 1.314 -4.939 -0.232 1.00 0.00 C ATOM 0 H PHE A 55 1.643 -9.003 2.104 1.00 0.00 H new ATOM 0 HA PHE A 55 4.327 -7.981 2.670 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.675 -7.203 3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.167 -6.284 3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.478 -7.566 1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.662 -4.775 2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.234 -6.409 -0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.952 -3.616 0.131 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.000 -4.429 -1.131 1.00 0.00 H new ATOM 961 N ASN A 62 9.908 -2.951 0.916 1.00 0.00 N ATOM 962 CA ASN A 62 8.836 -3.531 0.115 1.00 0.00 C ATOM 963 C ASN A 62 7.470 -3.088 0.631 1.00 0.00 C ATOM 964 O ASN A 62 6.504 -3.010 -0.128 1.00 0.00 O ATOM 965 CB ASN A 62 8.928 -5.058 0.131 1.00 0.00 C ATOM 966 CG ASN A 62 9.797 -5.597 -0.988 1.00 0.00 C ATOM 967 OD1 ASN A 62 10.433 -4.835 -1.717 1.00 0.00 O ATOM 968 ND2 ASN A 62 9.828 -6.917 -1.131 1.00 0.00 N ATOM 0 HA ASN A 62 8.950 -3.177 -0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.331 -5.385 1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.927 -5.480 0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.395 -7.337 -1.868 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.285 -7.511 -0.504 1.00 0.00 H new ATOM 975 N ARG A 63 7.399 -2.798 1.926 1.00 0.00 N ATOM 976 CA ARG A 63 6.152 -2.362 2.544 1.00 0.00 C ATOM 977 C ARG A 63 5.490 -1.263 1.718 1.00 0.00 C ATOM 978 O ARG A 63 4.328 -1.380 1.327 1.00 0.00 O ATOM 979 CB ARG A 63 6.410 -1.861 3.966 1.00 0.00 C ATOM 980 CG ARG A 63 5.178 -1.891 4.856 1.00 0.00 C ATOM 981 CD ARG A 63 4.970 -3.264 5.473 1.00 0.00 C ATOM 982 NE ARG A 63 5.038 -4.329 4.476 1.00 0.00 N ATOM 983 CZ ARG A 63 6.148 -5.002 4.193 1.00 0.00 C ATOM 984 NH1 ARG A 63 7.277 -4.721 4.830 1.00 0.00 N ATOM 985 NH2 ARG A 63 6.130 -5.957 3.273 1.00 0.00 N ATOM 0 H ARG A 63 8.190 -2.857 2.568 1.00 0.00 H new ATOM 0 HA ARG A 63 5.478 -3.218 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.191 -2.470 4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.789 -0.840 3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.281 -1.148 5.646 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.299 -1.616 4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.727 -3.436 6.239 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.001 -3.295 5.970 1.00 0.00 H new ATOM 0 HE ARG A 63 4.186 -4.569 3.969 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.294 -3.987 5.538 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.128 -5.239 4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.263 -6.176 2.782 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.983 -6.473 3.057 1.00 0.00 H new ATOM 999 N HIS A 64 6.238 -0.196 1.455 1.00 0.00 N ATOM 1000 CA HIS A 64 5.724 0.924 0.675 1.00 0.00 C ATOM 1001 C HIS A 64 6.064 0.758 -0.803 1.00 0.00 C ATOM 1002 O HIS A 64 5.197 0.885 -1.667 1.00 0.00 O ATOM 1003 CB HIS A 64 6.297 2.242 1.198 1.00 0.00 C ATOM 1004 CG HIS A 64 6.600 2.224 2.664 1.00 0.00 C ATOM 1005 ND1 HIS A 64 5.663 2.524 3.630 1.00 0.00 N ATOM 1006 CD2 HIS A 64 7.744 1.937 3.328 1.00 0.00 C ATOM 1007 CE1 HIS A 64 6.218 2.425 4.825 1.00 0.00 C ATOM 1008 NE2 HIS A 64 7.481 2.069 4.670 1.00 0.00 N ATOM 0 H HIS A 64 7.201 -0.084 1.770 1.00 0.00 H new ATOM 0 HA HIS A 64 4.639 0.941 0.780 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.210 2.475 0.650 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.588 3.044 0.992 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.688 1.656 2.885 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.723 2.605 5.768 1.00 0.00 H new ATOM 0 HE2 HIS A 64 8.151 1.917 5.424 1.00 0.00 H new ATOM 1017 N ARG A 65 7.332 0.476 -1.085 1.00 0.00 N ATOM 1018 CA ARG A 65 7.786 0.295 -2.459 1.00 0.00 C ATOM 1019 C ARG A 65 6.700 -0.357 -3.310 1.00 0.00 C ATOM 1020 O ARG A 65 6.109 0.286 -4.177 1.00 0.00 O ATOM 1021 CB ARG A 65 9.055 -0.560 -2.490 1.00 0.00 C ATOM 1022 CG ARG A 65 10.266 0.125 -1.881 1.00 0.00 C ATOM 1023 CD ARG A 65 11.564 -0.437 -2.439 1.00 0.00 C ATOM 1024 NE ARG A 65 11.979 0.252 -3.659 1.00 0.00 N ATOM 1025 CZ ARG A 65 12.577 1.438 -3.666 1.00 0.00 C ATOM 1026 NH1 ARG A 65 12.829 2.064 -2.525 1.00 0.00 N ATOM 1027 NH2 ARG A 65 12.924 2.000 -4.817 1.00 0.00 N ATOM 0 H ARG A 65 8.062 0.368 -0.381 1.00 0.00 H new ATOM 0 HA ARG A 65 8.007 1.278 -2.875 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.868 -1.492 -1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.279 -0.825 -3.523 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.217 1.196 -2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.250 -0.000 -0.798 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.349 -0.350 -1.688 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.439 -1.500 -2.647 1.00 0.00 H new ATOM 0 HE ARG A 65 11.800 -0.203 -4.554 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.564 1.635 -1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.288 2.975 -2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.731 1.521 -5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.383 2.911 -4.822 1.00 0.00 H new ATOM 1041 N MET A 66 6.443 -1.635 -3.055 1.00 0.00 N ATOM 1042 CA MET A 66 5.427 -2.373 -3.797 1.00 0.00 C ATOM 1043 C MET A 66 4.221 -1.488 -4.094 1.00 0.00 C ATOM 1044 O MET A 66 3.800 -1.363 -5.244 1.00 0.00 O ATOM 1045 CB MET A 66 4.987 -3.609 -3.010 1.00 0.00 C ATOM 1046 CG MET A 66 6.102 -4.617 -2.787 1.00 0.00 C ATOM 1047 SD MET A 66 5.482 -6.269 -2.416 1.00 0.00 S ATOM 1048 CE MET A 66 5.402 -6.207 -0.628 1.00 0.00 C ATOM 0 H MET A 66 6.924 -2.182 -2.340 1.00 0.00 H new ATOM 0 HA MET A 66 5.863 -2.691 -4.744 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.595 -3.293 -2.043 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.169 -4.096 -3.542 1.00 0.00 H new ATOM 0 HG2 MET A 66 6.730 -4.660 -3.677 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.734 -4.278 -1.966 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.195 -6.825 -0.207 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.528 -5.177 -0.294 1.00 0.00 H new ATOM 0 HE3 MET A 66 4.434 -6.581 -0.294 1.00 0.00 H new ATOM 1058 N ILE A 67 3.670 -0.877 -3.051 1.00 0.00 N ATOM 1059 CA ILE A 67 2.513 -0.004 -3.201 1.00 0.00 C ATOM 1060 C ILE A 67 2.862 1.235 -4.019 1.00 0.00 C ATOM 1061 O ILE A 67 2.429 1.379 -5.162 1.00 0.00 O ATOM 1062 CB ILE A 67 1.958 0.437 -1.833 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.503 -0.781 -1.027 1.00 0.00 C ATOM 1064 CG2 ILE A 67 0.809 1.416 -2.018 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.397 -1.568 -1.693 1.00 0.00 C ATOM 0 H ILE A 67 4.006 -0.971 -2.093 1.00 0.00 H new ATOM 0 HA ILE A 67 1.750 -0.579 -3.725 1.00 0.00 H new ATOM 0 HB ILE A 67 2.752 0.940 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.357 -1.438 -0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.162 -0.450 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.428 1.718 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.163 2.295 -2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.012 0.938 -2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.125 -2.417 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.473 -0.926 -1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.740 -1.929 -2.662 1.00 0.00 H new ATOM 1077 N TYR A 68 3.648 2.126 -3.426 1.00 0.00 N ATOM 1078 CA TYR A 68 4.055 3.354 -4.099 1.00 0.00 C ATOM 1079 C TYR A 68 4.330 3.099 -5.577 1.00 0.00 C ATOM 1080 O TYR A 68 3.684 3.679 -6.450 1.00 0.00 O ATOM 1081 CB TYR A 68 5.301 3.937 -3.430 1.00 0.00 C ATOM 1082 CG TYR A 68 5.003 4.713 -2.166 1.00 0.00 C ATOM 1083 CD1 TYR A 68 3.974 5.646 -2.127 1.00 0.00 C ATOM 1084 CD2 TYR A 68 5.751 4.513 -1.013 1.00 0.00 C ATOM 1085 CE1 TYR A 68 3.699 6.357 -0.975 1.00 0.00 C ATOM 1086 CE2 TYR A 68 5.482 5.218 0.144 1.00 0.00 C ATOM 1087 CZ TYR A 68 4.455 6.139 0.158 1.00 0.00 C ATOM 1088 OH TYR A 68 4.185 6.845 1.308 1.00 0.00 O ATOM 0 H TYR A 68 4.016 2.021 -2.481 1.00 0.00 H new ATOM 0 HA TYR A 68 3.238 4.071 -4.019 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.990 3.126 -3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.810 4.592 -4.137 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.379 5.818 -3.012 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.557 3.794 -1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.896 7.080 -0.961 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.072 5.049 1.033 1.00 0.00 H new ATOM 0 HH TYR A 68 4.808 6.572 2.013 1.00 0.00 H new ATOM 1098 N SER A 69 5.294 2.226 -5.851 1.00 0.00 N ATOM 1099 CA SER A 69 5.658 1.895 -7.224 1.00 0.00 C ATOM 1100 C SER A 69 4.430 1.904 -8.129 1.00 0.00 C ATOM 1101 O SER A 69 4.477 2.401 -9.255 1.00 0.00 O ATOM 1102 CB SER A 69 6.336 0.524 -7.278 1.00 0.00 C ATOM 1103 OG SER A 69 7.043 0.352 -8.494 1.00 0.00 O ATOM 0 H SER A 69 5.837 1.735 -5.141 1.00 0.00 H new ATOM 0 HA SER A 69 6.356 2.652 -7.581 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.022 0.421 -6.437 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.586 -0.260 -7.176 1.00 0.00 H new ATOM 0 HG SER A 69 7.468 -0.531 -8.503 1.00 0.00 H new ATOM 1109 N THR A 70 3.330 1.350 -7.629 1.00 0.00 N ATOM 1110 CA THR A 70 2.089 1.292 -8.391 1.00 0.00 C ATOM 1111 C THR A 70 1.543 2.689 -8.659 1.00 0.00 C ATOM 1112 O THR A 70 1.129 3.002 -9.776 1.00 0.00 O ATOM 1113 CB THR A 70 1.017 0.466 -7.656 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.530 -0.833 -7.339 1.00 0.00 O ATOM 1115 CG2 THR A 70 -0.237 0.327 -8.506 1.00 0.00 C ATOM 0 H THR A 70 3.273 0.935 -6.699 1.00 0.00 H new ATOM 0 HA THR A 70 2.323 0.808 -9.339 1.00 0.00 H new ATOM 0 HB THR A 70 0.757 0.988 -6.735 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.210 -0.754 -6.638 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.980 -0.260 -7.966 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.642 1.316 -8.721 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.011 -0.174 -9.442 1.00 0.00 H new ATOM 1123 N LEU A 71 1.545 3.528 -7.628 1.00 0.00 N ATOM 1124 CA LEU A 71 1.049 4.894 -7.753 1.00 0.00 C ATOM 1125 C LEU A 71 2.162 5.903 -7.488 1.00 0.00 C ATOM 1126 O LEU A 71 1.934 6.949 -6.881 1.00 0.00 O ATOM 1127 CB LEU A 71 -0.108 5.129 -6.781 1.00 0.00 C ATOM 1128 CG LEU A 71 -1.214 4.072 -6.787 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -1.868 3.976 -5.417 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.251 4.392 -7.853 1.00 0.00 C ATOM 0 H LEU A 71 1.884 3.286 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 71 0.692 5.032 -8.774 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.299 5.195 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.556 6.096 -7.008 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.766 3.106 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.652 3.219 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.119 3.700 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.302 4.940 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.030 3.630 -7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.694 5.367 -7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.773 4.409 -8.832 1.00 0.00 H new ATOM 1142 N ALA A 72 3.367 5.582 -7.949 1.00 0.00 N ATOM 1143 CA ALA A 72 4.514 6.462 -7.767 1.00 0.00 C ATOM 1144 C ALA A 72 4.142 7.915 -8.042 1.00 0.00 C ATOM 1145 O ALA A 72 4.136 8.746 -7.135 1.00 0.00 O ATOM 1146 CB ALA A 72 5.661 6.029 -8.668 1.00 0.00 C ATOM 0 H ALA A 72 3.573 4.719 -8.451 1.00 0.00 H new ATOM 0 HA ALA A 72 4.835 6.388 -6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.511 6.696 -8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.953 5.009 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.342 6.072 -9.709 1.00 0.00 H new ATOM 1152 N GLU A 73 3.832 8.213 -9.300 1.00 0.00 N ATOM 1153 CA GLU A 73 3.460 9.567 -9.695 1.00 0.00 C ATOM 1154 C GLU A 73 1.983 9.828 -9.417 1.00 0.00 C ATOM 1155 O GLU A 73 1.619 10.864 -8.862 1.00 0.00 O ATOM 1156 CB GLU A 73 3.758 9.790 -11.179 1.00 0.00 C ATOM 1157 CG GLU A 73 5.231 10.019 -11.476 1.00 0.00 C ATOM 1158 CD GLU A 73 5.582 9.745 -12.926 1.00 0.00 C ATOM 1159 OE1 GLU A 73 4.712 9.949 -13.797 1.00 0.00 O ATOM 1160 OE2 GLU A 73 6.730 9.328 -13.188 1.00 0.00 O ATOM 0 H GLU A 73 3.831 7.536 -10.063 1.00 0.00 H new ATOM 0 HA GLU A 73 4.052 10.266 -9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.412 8.925 -11.744 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.187 10.649 -11.531 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.492 11.049 -11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.832 9.376 -10.833 1.00 0.00 H new ATOM 1167 N GLU A 74 1.137 8.879 -9.806 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.301 9.007 -9.600 1.00 0.00 C ATOM 1169 C GLU A 74 -0.601 9.749 -8.301 1.00 0.00 C ATOM 1170 O GLU A 74 -1.573 10.499 -8.210 1.00 0.00 O ATOM 1171 CB GLU A 74 -0.960 7.627 -9.576 1.00 0.00 C ATOM 1172 CG GLU A 74 -0.789 6.847 -10.869 1.00 0.00 C ATOM 1173 CD GLU A 74 -1.334 7.589 -12.074 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.525 7.964 -12.049 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -0.571 7.793 -13.041 1.00 0.00 O ATOM 0 H GLU A 74 1.422 8.014 -10.265 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.711 9.583 -10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.540 7.048 -8.754 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.024 7.746 -9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.269 6.636 -11.025 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.296 5.886 -10.779 1.00 0.00 H new ATOM 1182 N LEU A 75 0.242 9.533 -7.296 1.00 0.00 N ATOM 1183 CA LEU A 75 0.068 10.180 -6.000 1.00 0.00 C ATOM 1184 C LEU A 75 0.669 11.582 -6.007 1.00 0.00 C ATOM 1185 O LEU A 75 -0.039 12.572 -5.823 1.00 0.00 O ATOM 1186 CB LEU A 75 0.717 9.340 -4.898 1.00 0.00 C ATOM 1187 CG LEU A 75 0.230 7.895 -4.781 1.00 0.00 C ATOM 1188 CD1 LEU A 75 1.251 7.047 -4.038 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -1.121 7.842 -4.083 1.00 0.00 C ATOM 0 H LEU A 75 1.052 8.915 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.001 10.264 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.794 9.327 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.549 9.838 -3.943 1.00 0.00 H new ATOM 0 HG LEU A 75 0.113 7.488 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.888 6.022 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.197 7.059 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.401 7.452 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.452 6.806 -4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.031 8.267 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.850 8.415 -4.656 1.00 0.00 H new ATOM 1201 N SER A 76 1.978 11.659 -6.221 1.00 0.00 N ATOM 1202 CA SER A 76 2.674 12.939 -6.250 1.00 0.00 C ATOM 1203 C SER A 76 1.879 13.972 -7.042 1.00 0.00 C ATOM 1204 O SER A 76 2.023 15.178 -6.835 1.00 0.00 O ATOM 1205 CB SER A 76 4.067 12.773 -6.862 1.00 0.00 C ATOM 1206 OG SER A 76 4.970 12.207 -5.928 1.00 0.00 O ATOM 0 H SER A 76 2.578 10.849 -6.377 1.00 0.00 H new ATOM 0 HA SER A 76 2.775 13.292 -5.224 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.006 12.137 -7.745 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.440 13.742 -7.192 1.00 0.00 H new ATOM 0 HG SER A 76 5.852 12.110 -6.344 1.00 0.00 H new ATOM 1212 N THR A 77 1.038 13.491 -7.953 1.00 0.00 N ATOM 1213 CA THR A 77 0.219 14.371 -8.778 1.00 0.00 C ATOM 1214 C THR A 77 -0.468 15.437 -7.931 1.00 0.00 C ATOM 1215 O THR A 77 -0.181 16.627 -8.060 1.00 0.00 O ATOM 1216 CB THR A 77 -0.850 13.579 -9.553 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.228 12.562 -10.346 1.00 0.00 O ATOM 1218 CG2 THR A 77 -1.662 14.502 -10.450 1.00 0.00 C ATOM 0 H THR A 77 0.906 12.497 -8.138 1.00 0.00 H new ATOM 0 HA THR A 77 0.890 14.853 -9.489 1.00 0.00 H new ATOM 0 HB THR A 77 -1.522 13.115 -8.831 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.250 11.938 -9.761 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.411 13.921 -10.988 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.158 15.258 -9.841 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.000 14.990 -11.165 1.00 0.00 H new ATOM 1226 N THR A 78 -1.376 15.002 -7.064 1.00 0.00 N ATOM 1227 CA THR A 78 -2.105 15.919 -6.196 1.00 0.00 C ATOM 1228 C THR A 78 -1.881 15.580 -4.727 1.00 0.00 C ATOM 1229 O THR A 78 -1.815 16.469 -3.878 1.00 0.00 O ATOM 1230 CB THR A 78 -3.616 15.892 -6.493 1.00 0.00 C ATOM 1231 OG1 THR A 78 -4.281 16.916 -5.746 1.00 0.00 O ATOM 1232 CG2 THR A 78 -4.212 14.536 -6.145 1.00 0.00 C ATOM 0 H THR A 78 -1.625 14.020 -6.944 1.00 0.00 H new ATOM 0 HA THR A 78 -1.721 16.919 -6.398 1.00 0.00 H new ATOM 0 HB THR A 78 -3.757 16.071 -7.559 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.241 16.893 -5.942 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.280 14.541 -6.363 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.724 13.761 -6.737 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.059 14.333 -5.085 1.00 0.00 H new ATOM 1240 N VAL A 79 -1.764 14.289 -4.433 1.00 0.00 N ATOM 1241 CA VAL A 79 -1.546 13.833 -3.066 1.00 0.00 C ATOM 1242 C VAL A 79 -0.066 13.877 -2.701 1.00 0.00 C ATOM 1243 O VAL A 79 0.764 13.242 -3.353 1.00 0.00 O ATOM 1244 CB VAL A 79 -2.071 12.399 -2.861 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.474 11.786 -1.604 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -3.591 12.393 -2.798 1.00 0.00 C ATOM 0 H VAL A 79 -1.817 13.540 -5.124 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.099 14.511 -2.415 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.763 11.792 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.857 10.773 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.388 11.755 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.749 12.390 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.945 11.372 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.923 13.014 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.995 12.788 -3.730 1.00 0.00 H new ATOM 1256 N HIS A 80 0.258 14.631 -1.656 1.00 0.00 N ATOM 1257 CA HIS A 80 1.639 14.757 -1.203 1.00 0.00 C ATOM 1258 C HIS A 80 1.967 13.697 -0.156 1.00 0.00 C ATOM 1259 O HIS A 80 2.857 12.870 -0.353 1.00 0.00 O ATOM 1260 CB HIS A 80 1.884 16.152 -0.628 1.00 0.00 C ATOM 1261 CG HIS A 80 3.303 16.388 -0.210 1.00 0.00 C ATOM 1262 ND1 HIS A 80 3.647 16.973 0.990 1.00 0.00 N ATOM 1263 CD2 HIS A 80 4.469 16.111 -0.840 1.00 0.00 C ATOM 1264 CE1 HIS A 80 4.963 17.048 1.079 1.00 0.00 C ATOM 1265 NE2 HIS A 80 5.485 16.531 -0.018 1.00 0.00 N ATOM 0 H HIS A 80 -0.416 15.164 -1.107 1.00 0.00 H new ATOM 0 HA HIS A 80 2.292 14.607 -2.063 1.00 0.00 H new ATOM 0 HB2 HIS A 80 1.605 16.897 -1.373 1.00 0.00 H new ATOM 0 HB3 HIS A 80 1.231 16.301 0.232 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.579 15.646 -1.809 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.518 17.462 1.908 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.482 16.456 -0.222 1.00 0.00 H new ATOM 1274 N ALA A 81 1.242 13.729 0.958 1.00 0.00 N ATOM 1275 CA ALA A 81 1.455 12.771 2.035 1.00 0.00 C ATOM 1276 C ALA A 81 0.462 11.617 1.948 1.00 0.00 C ATOM 1277 O ALA A 81 -0.647 11.776 1.437 1.00 0.00 O ATOM 1278 CB ALA A 81 1.346 13.463 3.386 1.00 0.00 C ATOM 0 H ALA A 81 0.502 14.408 1.137 1.00 0.00 H new ATOM 0 HA ALA A 81 2.459 12.360 1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.507 12.735 4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.099 14.248 3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.354 13.902 3.491 1.00 0.00 H new ATOM 1284 N LEU A 82 0.868 10.455 2.448 1.00 0.00 N ATOM 1285 CA LEU A 82 0.013 9.273 2.426 1.00 0.00 C ATOM 1286 C LEU A 82 0.498 8.232 3.430 1.00 0.00 C ATOM 1287 O LEU A 82 1.698 7.986 3.554 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.017 8.668 1.021 1.00 0.00 C ATOM 1289 CG LEU A 82 -0.436 7.200 0.932 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -1.897 7.037 1.319 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -0.190 6.660 -0.469 1.00 0.00 C ATOM 0 H LEU A 82 1.783 10.306 2.873 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.995 9.578 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.698 9.258 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.976 8.769 0.582 1.00 0.00 H new ATOM 0 HG LEU A 82 0.170 6.626 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.177 5.986 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.043 7.385 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.520 7.624 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.494 5.614 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.770 7.238 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.870 6.741 -0.709 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.443 7.621 4.143 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.112 6.603 5.132 1.00 0.00 C ATOM 1305 C ALA A 83 -0.539 5.218 4.659 1.00 0.00 C ATOM 1306 O ALA A 83 -1.724 4.883 4.678 1.00 0.00 O ATOM 1307 CB ALA A 83 -0.765 6.933 6.466 1.00 0.00 C ATOM 0 H ALA A 83 -1.441 7.814 4.054 1.00 0.00 H new ATOM 0 HA ALA A 83 0.970 6.595 5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.510 6.165 7.196 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.406 7.901 6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.847 6.970 6.342 1.00 0.00 H new ATOM 1313 N LEU A 84 0.432 4.417 4.235 1.00 0.00 N ATOM 1314 CA LEU A 84 0.156 3.068 3.756 1.00 0.00 C ATOM 1315 C LEU A 84 -0.067 2.111 4.923 1.00 0.00 C ATOM 1316 O LEU A 84 0.878 1.726 5.613 1.00 0.00 O ATOM 1317 CB LEU A 84 1.310 2.568 2.885 1.00 0.00 C ATOM 1318 CG LEU A 84 1.680 3.450 1.691 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.735 2.769 0.832 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.445 3.774 0.865 1.00 0.00 C ATOM 0 H LEU A 84 1.418 4.679 4.213 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.754 3.101 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.192 2.455 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.055 1.576 2.513 1.00 0.00 H new ATOM 0 HG LEU A 84 2.095 4.385 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.986 3.411 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.629 2.588 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.347 1.819 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.727 4.402 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.000 2.849 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.279 4.303 1.485 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.321 1.728 5.136 1.00 0.00 N ATOM 1333 CA HIS A 85 -1.668 0.813 6.218 1.00 0.00 C ATOM 1334 C HIS A 85 -1.983 -0.578 5.673 1.00 0.00 C ATOM 1335 O HIS A 85 -3.148 -0.952 5.534 1.00 0.00 O ATOM 1336 CB HIS A 85 -2.865 1.349 7.004 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.515 2.464 7.941 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.687 2.298 9.031 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -2.884 3.766 7.945 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.564 3.450 9.666 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.281 4.357 9.027 1.00 0.00 N ATOM 0 H HIS A 85 -2.114 2.037 4.574 1.00 0.00 H new ATOM 0 HA HIS A 85 -0.810 0.737 6.886 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.623 1.699 6.303 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.310 0.533 7.573 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.532 4.250 7.230 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -0.977 3.621 10.556 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.372 5.337 9.294 1.00 0.00 H new ATOM 1350 N THR A 86 -0.938 -1.339 5.367 1.00 0.00 N ATOM 1351 CA THR A 86 -1.103 -2.686 4.836 1.00 0.00 C ATOM 1352 C THR A 86 -1.171 -3.715 5.959 1.00 0.00 C ATOM 1353 O THR A 86 -0.273 -3.792 6.798 1.00 0.00 O ATOM 1354 CB THR A 86 0.048 -3.059 3.882 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.308 -2.762 4.494 1.00 0.00 O ATOM 1356 CG2 THR A 86 -0.073 -2.304 2.567 1.00 0.00 C ATOM 0 H THR A 86 0.033 -1.045 5.478 1.00 0.00 H new ATOM 0 HA THR A 86 -2.041 -2.694 4.282 1.00 0.00 H new ATOM 0 HB THR A 86 -0.012 -4.128 3.676 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.283 -3.023 5.438 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.750 -2.584 1.910 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.020 -2.555 2.089 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.036 -1.232 2.758 1.00 0.00 H new ATOM 1364 N TYR A 87 -2.239 -4.504 5.968 1.00 0.00 N ATOM 1365 CA TYR A 87 -2.425 -5.527 6.990 1.00 0.00 C ATOM 1366 C TYR A 87 -2.567 -6.909 6.358 1.00 0.00 C ATOM 1367 O TYR A 87 -2.950 -7.036 5.194 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.658 -5.213 7.839 1.00 0.00 C ATOM 1369 CG TYR A 87 -3.450 -4.073 8.810 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -3.033 -2.824 8.366 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.670 -4.245 10.171 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -2.841 -1.780 9.249 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -3.482 -3.206 11.061 1.00 0.00 C ATOM 1374 CZ TYR A 87 -3.067 -1.975 10.596 1.00 0.00 C ATOM 1375 OH TYR A 87 -2.878 -0.938 11.480 1.00 0.00 O ATOM 0 H TYR A 87 -2.989 -4.455 5.279 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.543 -5.529 7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.491 -4.970 7.179 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.943 -6.106 8.396 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.856 -2.667 7.312 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.993 -5.207 10.539 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.516 -0.816 8.887 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.659 -3.356 12.116 1.00 0.00 H new ATOM 0 HH TYR A 87 -3.082 -1.242 12.389 1.00 0.00 H new ATOM 1385 N THR A 88 -2.256 -7.942 7.134 1.00 0.00 N ATOM 1386 CA THR A 88 -2.348 -9.315 6.652 1.00 0.00 C ATOM 1387 C THR A 88 -3.695 -9.933 7.008 1.00 0.00 C ATOM 1388 O THR A 88 -4.457 -9.373 7.796 1.00 0.00 O ATOM 1389 CB THR A 88 -1.223 -10.191 7.234 1.00 0.00 C ATOM 1390 OG1 THR A 88 -1.415 -10.362 8.642 1.00 0.00 O ATOM 1391 CG2 THR A 88 0.139 -9.566 6.974 1.00 0.00 C ATOM 0 H THR A 88 -1.938 -7.854 8.099 1.00 0.00 H new ATOM 0 HA THR A 88 -2.244 -9.277 5.568 1.00 0.00 H new ATOM 0 HB THR A 88 -1.258 -11.163 6.743 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.697 -10.922 9.005 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.918 -10.203 7.394 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.294 -9.465 5.900 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.183 -8.582 7.441 1.00 0.00 H new ATOM 1399 N ILE A 89 -3.982 -11.092 6.424 1.00 0.00 N ATOM 1400 CA ILE A 89 -5.237 -11.787 6.682 1.00 0.00 C ATOM 1401 C ILE A 89 -5.397 -12.100 8.166 1.00 0.00 C ATOM 1402 O ILE A 89 -6.486 -11.974 8.725 1.00 0.00 O ATOM 1403 CB ILE A 89 -5.329 -13.098 5.879 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -5.370 -12.801 4.379 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.557 -13.892 6.301 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -4.000 -12.625 3.761 1.00 0.00 C ATOM 0 H ILE A 89 -3.362 -11.569 5.769 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.039 -11.120 6.366 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.443 -13.698 6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.888 -13.614 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -5.954 -11.896 4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.609 -14.816 5.725 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.489 -14.130 7.363 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.454 -13.300 6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.105 -12.417 2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.487 -11.793 4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.420 -13.538 3.897 1.00 0.00 H new ATOM 1418 N LYS A 90 -4.303 -12.508 8.800 1.00 0.00 N ATOM 1419 CA LYS A 90 -4.319 -12.837 10.220 1.00 0.00 C ATOM 1420 C LYS A 90 -4.372 -11.572 11.071 1.00 0.00 C ATOM 1421 O LYS A 90 -5.295 -11.384 11.862 1.00 0.00 O ATOM 1422 CB LYS A 90 -3.082 -13.660 10.588 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.625 -13.463 12.023 1.00 0.00 C ATOM 1424 CD LYS A 90 -3.629 -14.031 13.011 1.00 0.00 C ATOM 1425 CE LYS A 90 -2.978 -14.346 14.349 1.00 0.00 C ATOM 1426 NZ LYS A 90 -3.730 -15.389 15.101 1.00 0.00 N ATOM 0 H LYS A 90 -3.393 -12.619 8.352 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.213 -13.427 10.421 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.297 -14.716 10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.266 -13.394 9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.658 -13.945 12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.483 -12.400 12.218 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.439 -13.317 13.159 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.073 -14.937 12.599 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.955 -14.684 14.184 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.921 -13.437 14.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.254 -15.575 16.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.699 -15.057 15.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.763 -16.265 14.541 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.376 -10.708 10.901 1.00 0.00 N ATOM 1441 CA GLU A 91 -3.311 -9.461 11.653 1.00 0.00 C ATOM 1442 C GLU A 91 -4.687 -8.805 11.739 1.00 0.00 C ATOM 1443 O GLU A 91 -5.130 -8.408 12.816 1.00 0.00 O ATOM 1444 CB GLU A 91 -2.315 -8.498 11.004 1.00 0.00 C ATOM 1445 CG GLU A 91 -0.897 -8.644 11.530 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.065 -7.394 11.318 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -0.398 -6.351 11.920 1.00 0.00 O ATOM 1448 OE2 GLU A 91 0.918 -7.457 10.552 1.00 0.00 O ATOM 0 H GLU A 91 -2.604 -10.849 10.250 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.974 -9.694 12.663 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.313 -8.663 9.926 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.651 -7.475 11.169 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.930 -8.878 12.594 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.414 -9.486 11.034 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.355 -8.695 10.597 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.680 -8.087 10.542 1.00 0.00 C ATOM 1457 C TRP A 92 -7.723 -8.997 11.179 1.00 0.00 C ATOM 1458 O TRP A 92 -8.559 -8.545 11.961 1.00 0.00 O ATOM 1459 CB TRP A 92 -7.065 -7.785 9.093 1.00 0.00 C ATOM 1460 CG TRP A 92 -8.029 -6.645 8.960 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.218 -6.651 8.288 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -7.884 -5.331 9.511 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -9.821 -5.421 8.388 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -9.024 -4.594 9.134 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -6.904 -4.707 10.287 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -9.207 -3.265 9.508 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -7.087 -3.388 10.657 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -8.231 -2.679 10.268 1.00 0.00 C ATOM 0 H TRP A 92 -5.002 -9.019 9.697 1.00 0.00 H new ATOM 0 HA TRP A 92 -6.648 -7.154 11.104 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.163 -7.557 8.525 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.505 -8.677 8.648 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.624 -7.499 7.756 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -10.717 -5.165 7.974 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.019 -5.246 10.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -10.088 -2.716 9.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.335 -2.896 11.256 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -8.345 -1.650 10.574 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.669 -10.281 10.838 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.612 -11.254 11.378 1.00 0.00 C ATOM 1481 C GLU A 93 -8.889 -10.983 12.854 1.00 0.00 C ATOM 1482 O GLU A 93 -10.024 -11.093 13.315 1.00 0.00 O ATOM 1483 CB GLU A 93 -8.070 -12.674 11.202 1.00 0.00 C ATOM 1484 CG GLU A 93 -8.486 -13.327 9.895 1.00 0.00 C ATOM 1485 CD GLU A 93 -9.805 -14.066 10.005 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -9.788 -15.255 10.387 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -10.854 -13.457 9.709 1.00 0.00 O ATOM 0 H GLU A 93 -6.983 -10.671 10.191 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.548 -11.159 10.827 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.982 -12.647 11.255 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.414 -13.291 12.032 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.565 -12.564 9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.709 -14.023 9.578 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.841 -10.627 13.591 1.00 0.00 N ATOM 1495 CA GLY A 94 -7.990 -10.346 15.007 1.00 0.00 C ATOM 1496 C GLY A 94 -6.926 -9.400 15.526 1.00 0.00 C ATOM 1497 O GLY A 94 -6.161 -9.747 16.426 1.00 0.00 O ATOM 0 H GLY A 94 -6.891 -10.528 13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.975 -9.914 15.187 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.945 -11.280 15.566 1.00 0.00 H new