USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 382 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0331 K(o=-0.033,f=-1.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= -0.0155 (180deg=-0.126) USER MOD Single : A 54 GLN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 9 6.003 -35.906 -25.615 1.00 0.00 N ATOM 101 CA PHE A 9 7.205 -36.189 -24.841 1.00 0.00 C ATOM 102 C PHE A 9 8.455 -35.734 -25.590 1.00 0.00 C ATOM 103 O PHE A 9 9.491 -35.464 -24.986 1.00 0.00 O ATOM 104 CB PHE A 9 7.300 -37.686 -24.534 1.00 0.00 C ATOM 105 CG PHE A 9 7.439 -37.988 -23.069 1.00 0.00 C ATOM 106 CD1 PHE A 9 8.425 -37.376 -22.312 1.00 0.00 C ATOM 107 CD2 PHE A 9 6.584 -38.886 -22.450 1.00 0.00 C ATOM 108 CE1 PHE A 9 8.555 -37.652 -20.964 1.00 0.00 C ATOM 109 CE2 PHE A 9 6.709 -39.165 -21.102 1.00 0.00 C ATOM 110 CZ PHE A 9 7.696 -38.548 -20.358 1.00 0.00 C ATOM 0 HA PHE A 9 7.141 -35.635 -23.904 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.410 -38.185 -24.917 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.154 -38.105 -25.066 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.100 -36.675 -22.781 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.812 -39.373 -23.027 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.327 -37.168 -20.385 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.035 -39.865 -20.631 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.796 -38.766 -19.305 1.00 0.00 H new ATOM 119 N GLY A 10 8.346 -35.650 -26.914 1.00 0.00 N ATOM 120 CA GLY A 10 9.473 -35.226 -27.724 1.00 0.00 C ATOM 121 C GLY A 10 10.000 -33.863 -27.321 1.00 0.00 C ATOM 122 O GLY A 10 11.182 -33.716 -27.008 1.00 0.00 O ATOM 0 H GLY A 10 7.499 -35.868 -27.438 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.274 -35.961 -27.639 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.174 -35.201 -28.772 1.00 0.00 H new ATOM 126 N GLU A 11 9.122 -32.865 -27.327 1.00 0.00 N ATOM 127 CA GLU A 11 9.507 -31.508 -26.959 1.00 0.00 C ATOM 128 C GLU A 11 10.196 -31.487 -25.597 1.00 0.00 C ATOM 129 O GLU A 11 11.288 -30.938 -25.450 1.00 0.00 O ATOM 130 CB GLU A 11 8.280 -30.594 -26.936 1.00 0.00 C ATOM 131 CG GLU A 11 8.359 -29.442 -27.925 1.00 0.00 C ATOM 132 CD GLU A 11 7.989 -28.112 -27.301 1.00 0.00 C ATOM 133 OE1 GLU A 11 7.087 -28.091 -26.438 1.00 0.00 O ATOM 134 OE2 GLU A 11 8.601 -27.090 -27.676 1.00 0.00 O ATOM 0 H GLU A 11 8.140 -32.971 -27.582 1.00 0.00 H new ATOM 0 HA GLU A 11 10.210 -31.142 -27.708 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.392 -31.187 -27.153 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.157 -30.191 -25.931 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.370 -29.382 -28.327 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.694 -29.643 -28.765 1.00 0.00 H new ATOM 139 N LYS A 12 9.549 -32.089 -24.605 1.00 0.00 N ATOM 140 CA LYS A 12 10.098 -32.141 -23.255 1.00 0.00 C ATOM 141 C LYS A 12 11.447 -32.853 -23.243 1.00 0.00 C ATOM 142 O LYS A 12 12.397 -32.391 -22.612 1.00 0.00 O ATOM 143 CB LYS A 12 9.124 -32.855 -22.314 1.00 0.00 C ATOM 144 CG LYS A 12 7.697 -32.344 -22.416 1.00 0.00 C ATOM 145 CD LYS A 12 7.056 -32.208 -21.044 1.00 0.00 C ATOM 146 CE LYS A 12 5.553 -32.438 -21.107 1.00 0.00 C ATOM 147 NZ LYS A 12 4.793 -31.301 -20.521 1.00 0.00 N ATOM 0 H LYS A 12 8.644 -32.548 -24.710 1.00 0.00 H new ATOM 0 HA LYS A 12 10.244 -31.118 -22.909 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.136 -33.923 -22.534 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.471 -32.737 -21.287 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.690 -31.377 -22.920 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.108 -33.026 -23.028 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.507 -32.925 -20.358 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.257 -31.214 -20.644 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.251 -32.580 -22.144 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.303 -33.355 -20.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.773 -31.496 -20.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.062 -31.181 -19.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.011 -30.430 -21.046 1.00 0.00 H new ATOM 157 N ALA A 13 11.523 -33.978 -23.945 1.00 0.00 N ATOM 158 CA ALA A 13 12.757 -34.752 -24.019 1.00 0.00 C ATOM 159 C ALA A 13 13.930 -33.876 -24.448 1.00 0.00 C ATOM 160 O ALA A 13 14.967 -33.843 -23.786 1.00 0.00 O ATOM 161 CB ALA A 13 12.591 -35.921 -24.977 1.00 0.00 C ATOM 0 H ALA A 13 10.744 -34.375 -24.471 1.00 0.00 H new ATOM 0 HA ALA A 13 12.973 -35.141 -23.024 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.520 -36.489 -25.022 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.787 -36.568 -24.626 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.347 -35.545 -25.971 1.00 0.00 H new ATOM 167 N SER A 14 13.757 -33.168 -25.559 1.00 0.00 N ATOM 168 CA SER A 14 14.803 -32.295 -26.079 1.00 0.00 C ATOM 169 C SER A 14 15.129 -31.185 -25.084 1.00 0.00 C ATOM 170 O SER A 14 16.246 -30.671 -25.055 1.00 0.00 O ATOM 171 CB SER A 14 14.372 -31.687 -27.415 1.00 0.00 C ATOM 172 OG SER A 14 15.464 -31.065 -28.068 1.00 0.00 O ATOM 0 H SER A 14 12.903 -33.182 -26.116 1.00 0.00 H new ATOM 0 HA SER A 14 15.699 -32.896 -26.233 1.00 0.00 H new ATOM 0 HB2 SER A 14 13.957 -32.465 -28.055 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.581 -30.957 -27.247 1.00 0.00 H new ATOM 0 HG SER A 14 15.163 -30.686 -28.920 1.00 0.00 H new ATOM 177 N GLU A 15 14.143 -30.820 -24.270 1.00 0.00 N ATOM 178 CA GLU A 15 14.324 -29.770 -23.274 1.00 0.00 C ATOM 179 C GLU A 15 15.078 -30.299 -22.057 1.00 0.00 C ATOM 180 O GLU A 15 15.856 -29.578 -21.434 1.00 0.00 O ATOM 181 CB GLU A 15 12.968 -29.207 -22.843 1.00 0.00 C ATOM 182 CG GLU A 15 12.337 -28.283 -23.872 1.00 0.00 C ATOM 183 CD GLU A 15 11.987 -26.924 -23.298 1.00 0.00 C ATOM 184 OE1 GLU A 15 12.910 -26.103 -23.110 1.00 0.00 O ATOM 185 OE2 GLU A 15 10.790 -26.681 -23.037 1.00 0.00 O ATOM 0 H GLU A 15 13.212 -31.236 -24.281 1.00 0.00 H new ATOM 0 HA GLU A 15 14.913 -28.972 -23.726 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.287 -30.035 -22.644 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.091 -28.664 -21.906 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.024 -28.154 -24.709 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.435 -28.749 -24.269 1.00 0.00 H new ATOM 190 N ALA A 16 14.840 -31.564 -21.725 1.00 0.00 N ATOM 191 CA ALA A 16 15.497 -32.190 -20.584 1.00 0.00 C ATOM 192 C ALA A 16 17.003 -32.285 -20.802 1.00 0.00 C ATOM 193 O ALA A 16 17.790 -31.794 -19.993 1.00 0.00 O ATOM 194 CB ALA A 16 14.910 -33.571 -20.332 1.00 0.00 C ATOM 0 H ALA A 16 14.198 -32.175 -22.230 1.00 0.00 H new ATOM 0 HA ALA A 16 15.322 -31.566 -19.707 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.409 -34.028 -19.477 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.844 -33.481 -20.124 1.00 0.00 H new ATOM 0 HB3 ALA A 16 15.056 -34.195 -21.214 1.00 0.00 H new ATOM 200 N LEU A 17 17.398 -32.921 -21.900 1.00 0.00 N ATOM 201 CA LEU A 17 18.811 -33.081 -22.224 1.00 0.00 C ATOM 202 C LEU A 17 19.515 -31.728 -22.276 1.00 0.00 C ATOM 203 O LEU A 17 20.644 -31.585 -21.805 1.00 0.00 O ATOM 204 CB LEU A 17 18.968 -33.802 -23.564 1.00 0.00 C ATOM 205 CG LEU A 17 18.432 -33.063 -24.791 1.00 0.00 C ATOM 206 CD1 LEU A 17 19.508 -32.172 -25.391 1.00 0.00 C ATOM 207 CD2 LEU A 17 17.918 -34.053 -25.826 1.00 0.00 C ATOM 0 H LEU A 17 16.760 -33.334 -22.580 1.00 0.00 H new ATOM 0 HA LEU A 17 19.273 -33.680 -21.439 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.027 -34.007 -23.722 1.00 0.00 H new ATOM 0 HB3 LEU A 17 18.464 -34.766 -23.496 1.00 0.00 H new ATOM 0 HG LEU A 17 17.601 -32.431 -24.477 1.00 0.00 H new ATOM 0 HD11 LEU A 17 19.108 -31.655 -26.263 1.00 0.00 H new ATOM 0 HD12 LEU A 17 19.829 -31.440 -24.650 1.00 0.00 H new ATOM 0 HD13 LEU A 17 20.360 -32.782 -25.691 1.00 0.00 H new ATOM 0 HD21 LEU A 17 17.540 -33.510 -26.692 1.00 0.00 H new ATOM 0 HD22 LEU A 17 18.730 -34.710 -26.136 1.00 0.00 H new ATOM 0 HD23 LEU A 17 17.115 -34.648 -25.392 1.00 0.00 H new ATOM 218 N LYS A 18 18.840 -30.737 -22.849 1.00 0.00 N ATOM 219 CA LYS A 18 19.397 -29.395 -22.959 1.00 0.00 C ATOM 220 C LYS A 18 19.370 -28.682 -21.611 1.00 0.00 C ATOM 221 O LYS A 18 18.626 -29.050 -20.702 1.00 0.00 O ATOM 222 CB LYS A 18 18.618 -28.581 -23.995 1.00 0.00 C ATOM 223 CG LYS A 18 19.380 -28.356 -25.290 1.00 0.00 C ATOM 224 CD LYS A 18 19.330 -26.901 -25.722 1.00 0.00 C ATOM 225 CE LYS A 18 18.067 -26.598 -26.514 1.00 0.00 C ATOM 226 NZ LYS A 18 17.742 -25.146 -26.504 1.00 0.00 N ATOM 0 H LYS A 18 17.905 -30.839 -23.245 1.00 0.00 H new ATOM 0 HA LYS A 18 20.434 -29.484 -23.281 1.00 0.00 H new ATOM 0 HB2 LYS A 18 17.682 -29.093 -24.218 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.357 -27.614 -23.564 1.00 0.00 H new ATOM 0 HG2 LYS A 18 20.418 -28.662 -25.160 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.958 -28.984 -26.075 1.00 0.00 H new ATOM 0 HD2 LYS A 18 19.373 -26.258 -24.843 1.00 0.00 H new ATOM 0 HD3 LYS A 18 20.206 -26.670 -26.329 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.194 -26.935 -27.543 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.232 -27.160 -26.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.875 -24.980 -27.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.596 -24.830 -25.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.528 -24.611 -26.927 1.00 0.00 H new ATOM 311 N TYR A 25 9.239 -17.016 -22.940 1.00 0.00 N ATOM 312 CA TYR A 25 8.121 -17.812 -22.446 1.00 0.00 C ATOM 313 C TYR A 25 8.615 -19.102 -21.800 1.00 0.00 C ATOM 314 O TYR A 25 8.027 -19.592 -20.837 1.00 0.00 O ATOM 315 CB TYR A 25 7.156 -18.137 -23.586 1.00 0.00 C ATOM 316 CG TYR A 25 5.816 -17.447 -23.461 1.00 0.00 C ATOM 317 CD1 TYR A 25 5.733 -16.100 -23.130 1.00 0.00 C ATOM 318 CD2 TYR A 25 4.632 -18.144 -23.671 1.00 0.00 C ATOM 319 CE1 TYR A 25 4.511 -15.467 -23.013 1.00 0.00 C ATOM 320 CE2 TYR A 25 3.406 -17.518 -23.557 1.00 0.00 C ATOM 321 CZ TYR A 25 3.350 -16.181 -23.228 1.00 0.00 C ATOM 322 OH TYR A 25 2.130 -15.555 -23.112 1.00 0.00 O ATOM 0 HA TYR A 25 7.597 -17.226 -21.691 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.615 -17.851 -24.532 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.998 -19.215 -23.621 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.640 -15.538 -22.961 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.671 -19.192 -23.928 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.464 -14.419 -22.755 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.495 -18.074 -23.725 1.00 0.00 H new ATOM 0 HH TYR A 25 1.414 -16.198 -23.296 1.00 0.00 H new ATOM 331 N ALA A 26 9.701 -19.648 -22.339 1.00 0.00 N ATOM 332 CA ALA A 26 10.277 -20.880 -21.815 1.00 0.00 C ATOM 333 C ALA A 26 10.499 -20.786 -20.308 1.00 0.00 C ATOM 334 O ALA A 26 10.170 -21.708 -19.565 1.00 0.00 O ATOM 335 CB ALA A 26 11.586 -21.194 -22.524 1.00 0.00 C ATOM 0 H ALA A 26 10.199 -19.256 -23.138 1.00 0.00 H new ATOM 0 HA ALA A 26 9.571 -21.689 -22.002 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.005 -22.117 -22.123 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.402 -21.313 -23.592 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.290 -20.377 -22.366 1.00 0.00 H new ATOM 341 N GLU A 27 11.062 -19.664 -19.867 1.00 0.00 N ATOM 342 CA GLU A 27 11.328 -19.451 -18.450 1.00 0.00 C ATOM 343 C GLU A 27 10.050 -19.075 -17.706 1.00 0.00 C ATOM 344 O GLU A 27 9.846 -19.476 -16.561 1.00 0.00 O ATOM 345 CB GLU A 27 12.380 -18.355 -18.265 1.00 0.00 C ATOM 346 CG GLU A 27 13.712 -18.871 -17.746 1.00 0.00 C ATOM 347 CD GLU A 27 14.341 -17.941 -16.727 1.00 0.00 C ATOM 348 OE1 GLU A 27 14.092 -16.719 -16.805 1.00 0.00 O ATOM 349 OE2 GLU A 27 15.081 -18.433 -15.851 1.00 0.00 O ATOM 0 H GLU A 27 11.342 -18.891 -20.470 1.00 0.00 H new ATOM 0 HA GLU A 27 11.708 -20.384 -18.034 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.541 -17.853 -19.219 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.995 -17.607 -17.572 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.566 -19.853 -17.295 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.397 -19.003 -18.583 1.00 0.00 H new ATOM 354 N GLN A 28 9.195 -18.301 -18.365 1.00 0.00 N ATOM 355 CA GLN A 28 7.937 -17.869 -17.766 1.00 0.00 C ATOM 356 C GLN A 28 7.114 -19.068 -17.306 1.00 0.00 C ATOM 357 O GLN A 28 6.671 -19.124 -16.160 1.00 0.00 O ATOM 358 CB GLN A 28 7.132 -17.036 -18.766 1.00 0.00 C ATOM 359 CG GLN A 28 7.884 -15.825 -19.294 1.00 0.00 C ATOM 360 CD GLN A 28 6.968 -14.810 -19.948 1.00 0.00 C ATOM 361 OE1 GLN A 28 5.749 -14.858 -19.783 1.00 0.00 O ATOM 362 NE2 GLN A 28 7.553 -13.881 -20.697 1.00 0.00 N ATOM 0 H GLN A 28 9.350 -17.960 -19.314 1.00 0.00 H new ATOM 0 HA GLN A 28 8.169 -17.255 -16.896 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.845 -17.669 -19.605 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.211 -16.702 -18.289 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.421 -15.349 -18.473 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.632 -16.153 -20.016 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.567 -13.878 -20.807 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.988 -13.171 -21.162 1.00 0.00 H new ATOM 369 N GLY A 29 6.913 -20.023 -18.208 1.00 0.00 N ATOM 370 CA GLY A 29 6.143 -21.207 -17.875 1.00 0.00 C ATOM 371 C GLY A 29 6.760 -22.001 -16.740 1.00 0.00 C ATOM 372 O GLY A 29 6.089 -22.325 -15.761 1.00 0.00 O ATOM 0 H GLY A 29 7.269 -19.998 -19.163 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.130 -20.912 -17.599 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.061 -21.843 -18.756 1.00 0.00 H new ATOM 376 N LYS A 30 8.044 -22.318 -16.871 1.00 0.00 N ATOM 377 CA LYS A 30 8.754 -23.079 -15.851 1.00 0.00 C ATOM 378 C LYS A 30 8.553 -22.456 -14.472 1.00 0.00 C ATOM 379 O LYS A 30 8.095 -23.120 -13.542 1.00 0.00 O ATOM 380 CB LYS A 30 10.247 -23.145 -16.180 1.00 0.00 C ATOM 381 CG LYS A 30 10.546 -23.816 -17.510 1.00 0.00 C ATOM 382 CD LYS A 30 11.920 -23.429 -18.032 1.00 0.00 C ATOM 383 CE LYS A 30 12.940 -24.530 -17.784 1.00 0.00 C ATOM 384 NZ LYS A 30 13.275 -25.268 -19.033 1.00 0.00 N ATOM 0 H LYS A 30 8.615 -22.059 -17.676 1.00 0.00 H new ATOM 0 HA LYS A 30 8.347 -24.090 -15.838 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.653 -22.134 -16.193 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.762 -23.685 -15.386 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.491 -24.898 -17.393 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.786 -23.535 -18.239 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.859 -23.221 -19.100 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.249 -22.510 -17.547 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.848 -24.096 -17.364 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.548 -25.228 -17.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.973 -26.009 -18.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.414 -25.704 -19.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.673 -24.607 -19.731 1.00 0.00 H new ATOM 394 N GLU A 31 8.901 -21.179 -14.348 1.00 0.00 N ATOM 395 CA GLU A 31 8.759 -20.468 -13.083 1.00 0.00 C ATOM 396 C GLU A 31 7.297 -20.419 -12.649 1.00 0.00 C ATOM 397 O GLU A 31 6.994 -20.333 -11.458 1.00 0.00 O ATOM 398 CB GLU A 31 9.315 -19.049 -13.204 1.00 0.00 C ATOM 399 CG GLU A 31 8.593 -18.035 -12.330 1.00 0.00 C ATOM 400 CD GLU A 31 9.417 -16.788 -12.081 1.00 0.00 C ATOM 401 OE1 GLU A 31 9.782 -16.114 -13.067 1.00 0.00 O ATOM 402 OE2 GLU A 31 9.698 -16.486 -10.904 1.00 0.00 O ATOM 0 H GLU A 31 9.283 -20.616 -15.108 1.00 0.00 H new ATOM 0 HA GLU A 31 9.327 -21.008 -12.326 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.372 -19.058 -12.938 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.251 -18.730 -14.244 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.653 -17.756 -12.805 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.343 -18.497 -11.375 1.00 0.00 H new ATOM 407 N TYR A 32 6.394 -20.473 -13.622 1.00 0.00 N ATOM 408 CA TYR A 32 4.963 -20.430 -13.342 1.00 0.00 C ATOM 409 C TYR A 32 4.522 -21.673 -12.575 1.00 0.00 C ATOM 410 O TYR A 32 3.772 -21.582 -11.602 1.00 0.00 O ATOM 411 CB TYR A 32 4.171 -20.314 -14.644 1.00 0.00 C ATOM 412 CG TYR A 32 2.694 -20.069 -14.434 1.00 0.00 C ATOM 413 CD1 TYR A 32 1.805 -21.131 -14.314 1.00 0.00 C ATOM 414 CD2 TYR A 32 2.187 -18.778 -14.356 1.00 0.00 C ATOM 415 CE1 TYR A 32 0.454 -20.911 -14.123 1.00 0.00 C ATOM 416 CE2 TYR A 32 0.838 -18.549 -14.163 1.00 0.00 C ATOM 417 CZ TYR A 32 -0.025 -19.620 -14.047 1.00 0.00 C ATOM 418 OH TYR A 32 -1.369 -19.397 -13.856 1.00 0.00 O ATOM 0 H TYR A 32 6.628 -20.547 -14.612 1.00 0.00 H new ATOM 0 HA TYR A 32 4.765 -19.554 -12.725 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.585 -19.500 -15.240 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.300 -21.230 -15.221 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.176 -22.144 -14.371 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.859 -17.938 -14.448 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.224 -21.747 -14.034 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.461 -17.539 -14.103 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.539 -18.432 -13.825 1.00 0.00 H new ATOM 427 N ILE A 33 4.993 -22.834 -13.019 1.00 0.00 N ATOM 428 CA ILE A 33 4.650 -24.095 -12.375 1.00 0.00 C ATOM 429 C ILE A 33 5.337 -24.225 -11.021 1.00 0.00 C ATOM 430 O ILE A 33 4.761 -24.751 -10.067 1.00 0.00 O ATOM 431 CB ILE A 33 5.036 -25.300 -13.252 1.00 0.00 C ATOM 432 CG1 ILE A 33 4.725 -25.009 -14.723 1.00 0.00 C ATOM 433 CG2 ILE A 33 4.303 -26.550 -12.787 1.00 0.00 C ATOM 434 CD1 ILE A 33 4.555 -26.255 -15.562 1.00 0.00 C ATOM 0 H ILE A 33 5.614 -22.927 -13.823 1.00 0.00 H new ATOM 0 HA ILE A 33 3.569 -24.092 -12.233 1.00 0.00 H new ATOM 0 HB ILE A 33 6.108 -25.473 -13.154 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.814 -24.414 -14.782 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.529 -24.405 -15.143 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.586 -27.393 -13.417 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.570 -26.764 -11.752 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.227 -26.389 -12.859 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.337 -25.973 -16.592 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.473 -26.841 -15.533 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.732 -26.850 -15.167 1.00 0.00 H new ATOM 445 N THR A 34 6.572 -23.741 -10.941 1.00 0.00 N ATOM 446 CA THR A 34 7.340 -23.802 -9.703 1.00 0.00 C ATOM 447 C THR A 34 6.684 -22.968 -8.607 1.00 0.00 C ATOM 448 O THR A 34 6.745 -23.316 -7.428 1.00 0.00 O ATOM 449 CB THR A 34 8.784 -23.310 -9.912 1.00 0.00 C ATOM 450 OG1 THR A 34 9.707 -24.364 -9.616 1.00 0.00 O ATOM 451 CG2 THR A 34 9.080 -22.108 -9.027 1.00 0.00 C ATOM 0 H THR A 34 7.063 -23.302 -11.720 1.00 0.00 H new ATOM 0 HA THR A 34 7.362 -24.848 -9.396 1.00 0.00 H new ATOM 0 HB THR A 34 8.895 -23.010 -10.954 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.623 -24.044 -9.753 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.106 -21.778 -9.192 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.394 -21.297 -9.273 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.952 -22.386 -7.981 1.00 0.00 H new ATOM 459 N ASP A 35 6.056 -21.867 -9.005 1.00 0.00 N ATOM 460 CA ASP A 35 5.387 -20.984 -8.057 1.00 0.00 C ATOM 461 C ASP A 35 4.097 -21.616 -7.542 1.00 0.00 C ATOM 462 O ASP A 35 3.679 -21.370 -6.411 1.00 0.00 O ATOM 463 CB ASP A 35 5.082 -19.636 -8.710 1.00 0.00 C ATOM 464 CG ASP A 35 5.450 -18.464 -7.820 1.00 0.00 C ATOM 465 OD1 ASP A 35 5.464 -18.642 -6.584 1.00 0.00 O ATOM 466 OD2 ASP A 35 5.722 -17.371 -8.358 1.00 0.00 O ATOM 0 H ASP A 35 5.996 -21.565 -9.977 1.00 0.00 H new ATOM 0 HA ASP A 35 6.057 -20.826 -7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.628 -19.560 -9.650 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.021 -19.585 -8.952 1.00 0.00 H new ATOM 470 N LYS A 36 3.468 -22.433 -8.382 1.00 0.00 N ATOM 471 CA LYS A 36 2.227 -23.101 -8.013 1.00 0.00 C ATOM 472 C LYS A 36 2.487 -24.220 -7.010 1.00 0.00 C ATOM 473 O LYS A 36 1.758 -24.368 -6.029 1.00 0.00 O ATOM 474 CB LYS A 36 1.540 -23.669 -9.259 1.00 0.00 C ATOM 475 CG LYS A 36 1.149 -22.609 -10.275 1.00 0.00 C ATOM 476 CD LYS A 36 -0.328 -22.265 -10.181 1.00 0.00 C ATOM 477 CE LYS A 36 -0.967 -22.181 -11.559 1.00 0.00 C ATOM 478 NZ LYS A 36 -2.402 -22.578 -11.529 1.00 0.00 N ATOM 0 H LYS A 36 3.799 -22.648 -9.323 1.00 0.00 H new ATOM 0 HA LYS A 36 1.573 -22.364 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.207 -24.388 -9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.647 -24.215 -8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.744 -21.710 -10.112 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.378 -22.965 -11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.842 -23.020 -9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.449 -21.313 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.880 -21.163 -11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.426 -22.827 -12.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.802 -22.508 -12.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.484 -23.558 -11.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.924 -21.946 -10.889 1.00 0.00 H new ATOM 488 N ALA A 37 3.530 -25.003 -7.261 1.00 0.00 N ATOM 489 CA ALA A 37 3.889 -26.105 -6.377 1.00 0.00 C ATOM 490 C ALA A 37 4.372 -25.591 -5.025 1.00 0.00 C ATOM 491 O ALA A 37 4.278 -26.288 -4.015 1.00 0.00 O ATOM 492 CB ALA A 37 4.955 -26.975 -7.024 1.00 0.00 C ATOM 0 H ALA A 37 4.142 -24.895 -8.070 1.00 0.00 H new ATOM 0 HA ALA A 37 2.996 -26.708 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.213 -27.794 -6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.574 -27.381 -7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.843 -26.375 -7.223 1.00 0.00 H new ATOM 498 N ASP A 38 4.888 -24.366 -5.014 1.00 0.00 N ATOM 499 CA ASP A 38 5.385 -23.757 -3.786 1.00 0.00 C ATOM 500 C ASP A 38 4.237 -23.191 -2.957 1.00 0.00 C ATOM 501 O ASP A 38 4.214 -23.329 -1.733 1.00 0.00 O ATOM 502 CB ASP A 38 6.391 -22.653 -4.111 1.00 0.00 C ATOM 503 CG ASP A 38 7.625 -22.716 -3.234 1.00 0.00 C ATOM 504 OD1 ASP A 38 7.508 -23.171 -2.076 1.00 0.00 O ATOM 505 OD2 ASP A 38 8.709 -22.312 -3.703 1.00 0.00 O ATOM 0 H ASP A 38 4.973 -23.776 -5.842 1.00 0.00 H new ATOM 0 HA ASP A 38 5.883 -24.530 -3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.688 -22.733 -5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.912 -21.682 -3.989 1.00 0.00 H new ATOM 509 N LYS A 39 3.286 -22.552 -3.631 1.00 0.00 N ATOM 510 CA LYS A 39 2.134 -21.965 -2.957 1.00 0.00 C ATOM 511 C LYS A 39 1.235 -23.049 -2.373 1.00 0.00 C ATOM 512 O LYS A 39 0.822 -22.970 -1.215 1.00 0.00 O ATOM 513 CB LYS A 39 1.337 -21.095 -3.932 1.00 0.00 C ATOM 514 CG LYS A 39 1.637 -19.611 -3.808 1.00 0.00 C ATOM 515 CD LYS A 39 0.402 -18.824 -3.403 1.00 0.00 C ATOM 516 CE LYS A 39 0.749 -17.389 -3.037 1.00 0.00 C ATOM 517 NZ LYS A 39 0.441 -17.091 -1.611 1.00 0.00 N ATOM 0 H LYS A 39 3.291 -22.428 -4.643 1.00 0.00 H new ATOM 0 HA LYS A 39 2.499 -21.343 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.551 -21.416 -4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.272 -21.257 -3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.425 -19.459 -3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.014 -19.234 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.317 -18.828 -4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.079 -19.311 -2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.808 -17.212 -3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.193 -16.706 -3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.691 -16.104 -1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.574 -17.235 -1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.990 -17.726 -0.997 1.00 0.00 H new ATOM 527 N VAL A 40 0.932 -24.060 -3.180 1.00 0.00 N ATOM 528 CA VAL A 40 0.083 -25.162 -2.743 1.00 0.00 C ATOM 529 C VAL A 40 0.710 -25.906 -1.570 1.00 0.00 C ATOM 530 O VAL A 40 0.013 -26.343 -0.655 1.00 0.00 O ATOM 531 CB VAL A 40 -0.180 -26.157 -3.888 1.00 0.00 C ATOM 532 CG1 VAL A 40 1.131 -26.704 -4.431 1.00 0.00 C ATOM 533 CG2 VAL A 40 -1.084 -27.285 -3.415 1.00 0.00 C ATOM 0 H VAL A 40 1.262 -24.139 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.865 -24.726 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.688 -25.630 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.925 -27.406 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.739 -25.882 -4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.669 -27.217 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.260 -27.979 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.606 -27.813 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.035 -26.872 -3.079 1.00 0.00 H new ATOM 543 N ALA A 41 2.031 -26.049 -1.604 1.00 0.00 N ATOM 544 CA ALA A 41 2.753 -26.740 -0.544 1.00 0.00 C ATOM 545 C ALA A 41 2.881 -25.859 0.696 1.00 0.00 C ATOM 546 O ALA A 41 2.707 -26.327 1.821 1.00 0.00 O ATOM 547 CB ALA A 41 4.129 -27.167 -1.033 1.00 0.00 C ATOM 0 H ALA A 41 2.623 -25.695 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 41 2.185 -27.629 -0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.657 -27.682 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.020 -27.838 -1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.697 -26.287 -1.335 1.00 0.00 H new ATOM 553 N GLY A 42 3.184 -24.582 0.481 1.00 0.00 N ATOM 554 CA GLY A 42 3.330 -23.659 1.591 1.00 0.00 C ATOM 555 C GLY A 42 2.008 -23.346 2.263 1.00 0.00 C ATOM 556 O GLY A 42 1.955 -23.131 3.474 1.00 0.00 O ATOM 0 H GLY A 42 3.331 -24.171 -0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.015 -24.084 2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.780 -22.733 1.233 1.00 0.00 H new ATOM 560 N LYS A 43 0.938 -23.320 1.477 1.00 0.00 N ATOM 561 CA LYS A 43 -0.391 -23.031 2.002 1.00 0.00 C ATOM 562 C LYS A 43 -0.855 -24.136 2.947 1.00 0.00 C ATOM 563 O LYS A 43 -1.703 -23.911 3.810 1.00 0.00 O ATOM 564 CB LYS A 43 -1.392 -22.875 0.855 1.00 0.00 C ATOM 565 CG LYS A 43 -1.589 -21.435 0.412 1.00 0.00 C ATOM 566 CD LYS A 43 -2.164 -20.582 1.531 1.00 0.00 C ATOM 567 CE LYS A 43 -3.507 -19.984 1.143 1.00 0.00 C ATOM 568 NZ LYS A 43 -4.530 -21.038 0.889 1.00 0.00 N ATOM 0 H LYS A 43 0.965 -23.496 0.473 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.338 -22.097 2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.052 -23.465 0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.353 -23.286 1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.635 -21.019 0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.257 -21.406 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.281 -21.189 2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.465 -19.782 1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.854 -19.324 1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.387 -19.371 0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.481 -20.620 0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.385 -21.441 -0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.439 -21.789 1.602 1.00 0.00 H new ATOM 675 N GLY A 51 5.132 -18.085 17.689 1.00 0.00 N ATOM 676 CA GLY A 51 5.737 -18.105 19.007 1.00 0.00 C ATOM 677 C GLY A 51 7.136 -18.689 18.994 1.00 0.00 C ATOM 678 O GLY A 51 7.311 -19.897 18.845 1.00 0.00 O ATOM 0 HA2 GLY A 51 5.774 -17.090 19.402 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.110 -18.687 19.682 1.00 0.00 H new ATOM 682 N VAL A 52 8.136 -17.826 19.150 1.00 0.00 N ATOM 683 CA VAL A 52 9.527 -18.263 19.156 1.00 0.00 C ATOM 684 C VAL A 52 9.807 -19.194 20.331 1.00 0.00 C ATOM 685 O VAL A 52 10.730 -20.007 20.286 1.00 0.00 O ATOM 686 CB VAL A 52 10.491 -17.065 19.224 1.00 0.00 C ATOM 687 CG1 VAL A 52 11.935 -17.535 19.139 1.00 0.00 C ATOM 688 CG2 VAL A 52 10.181 -16.068 18.118 1.00 0.00 C ATOM 0 H VAL A 52 8.008 -16.822 19.274 1.00 0.00 H new ATOM 0 HA VAL A 52 9.693 -18.801 18.223 1.00 0.00 H new ATOM 0 HB VAL A 52 10.353 -16.565 20.182 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.601 -16.674 19.189 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.148 -18.207 19.970 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.092 -18.061 18.197 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.872 -15.228 18.181 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.289 -16.555 17.149 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.159 -15.706 18.230 1.00 0.00 H new ATOM 698 N PHE A 53 9.002 -19.071 21.381 1.00 0.00 N ATOM 699 CA PHE A 53 9.162 -19.900 22.569 1.00 0.00 C ATOM 700 C PHE A 53 9.209 -21.379 22.197 1.00 0.00 C ATOM 701 O PHE A 53 10.132 -22.096 22.581 1.00 0.00 O ATOM 702 CB PHE A 53 8.020 -19.645 23.552 1.00 0.00 C ATOM 703 CG PHE A 53 8.424 -18.828 24.746 1.00 0.00 C ATOM 704 CD1 PHE A 53 9.084 -17.622 24.584 1.00 0.00 C ATOM 705 CD2 PHE A 53 8.145 -19.269 26.030 1.00 0.00 C ATOM 706 CE1 PHE A 53 9.459 -16.867 25.680 1.00 0.00 C ATOM 707 CE2 PHE A 53 8.518 -18.518 27.129 1.00 0.00 C ATOM 708 CZ PHE A 53 9.177 -17.317 26.955 1.00 0.00 C ATOM 0 H PHE A 53 8.232 -18.404 21.433 1.00 0.00 H new ATOM 0 HA PHE A 53 10.106 -19.633 23.044 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.210 -19.135 23.030 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.626 -20.602 23.894 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.309 -17.266 23.589 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.631 -20.208 26.173 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.972 -15.927 25.539 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.294 -18.871 28.125 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.471 -16.731 27.813 1.00 0.00 H new ATOM 717 N GLN A 54 8.207 -21.826 21.447 1.00 0.00 N ATOM 718 CA GLN A 54 8.133 -23.220 21.024 1.00 0.00 C ATOM 719 C GLN A 54 9.387 -23.622 20.253 1.00 0.00 C ATOM 720 O GLN A 54 9.749 -24.796 20.207 1.00 0.00 O ATOM 721 CB GLN A 54 6.893 -23.448 20.159 1.00 0.00 C ATOM 722 CG GLN A 54 5.796 -24.230 20.862 1.00 0.00 C ATOM 723 CD GLN A 54 5.427 -25.504 20.130 1.00 0.00 C ATOM 724 OE1 GLN A 54 5.519 -26.601 20.683 1.00 0.00 O ATOM 725 NE2 GLN A 54 5.007 -25.367 18.878 1.00 0.00 N ATOM 0 H GLN A 54 7.436 -21.244 21.120 1.00 0.00 H new ATOM 0 HA GLN A 54 8.063 -23.841 21.917 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.496 -22.482 19.846 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.185 -23.981 19.254 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.122 -24.477 21.872 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.911 -23.601 20.958 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.946 -24.439 18.459 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.745 -26.190 18.335 1.00 0.00 H new ATOM 732 N GLY A 55 10.044 -22.637 19.648 1.00 0.00 N ATOM 733 CA GLY A 55 11.249 -22.909 18.885 1.00 0.00 C ATOM 734 C GLY A 55 12.282 -23.675 19.688 1.00 0.00 C ATOM 735 O GLY A 55 13.109 -24.393 19.125 1.00 0.00 O ATOM 0 H GLY A 55 9.764 -21.657 19.672 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.990 -23.480 17.993 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.681 -21.968 18.546 1.00 0.00 H new ATOM 739 N VAL A 56 12.236 -23.523 21.008 1.00 0.00 N ATOM 740 CA VAL A 56 13.175 -24.206 21.890 1.00 0.00 C ATOM 741 C VAL A 56 13.168 -25.711 21.642 1.00 0.00 C ATOM 742 O VAL A 56 14.163 -26.394 21.879 1.00 0.00 O ATOM 743 CB VAL A 56 12.849 -23.940 23.371 1.00 0.00 C ATOM 744 CG1 VAL A 56 11.447 -24.425 23.706 1.00 0.00 C ATOM 745 CG2 VAL A 56 13.880 -24.605 24.270 1.00 0.00 C ATOM 0 H VAL A 56 11.558 -22.933 21.490 1.00 0.00 H new ATOM 0 HA VAL A 56 14.165 -23.808 21.666 1.00 0.00 H new ATOM 0 HB VAL A 56 12.886 -22.865 23.545 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.235 -24.228 24.757 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.722 -23.899 23.085 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.378 -25.496 23.516 1.00 0.00 H new ATOM 0 HG21 VAL A 56 13.635 -24.407 25.313 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.876 -25.681 24.094 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.869 -24.204 24.048 1.00 0.00 H new ATOM 755 N HIS A 57 12.038 -26.220 21.161 1.00 0.00 N ATOM 756 CA HIS A 57 11.901 -27.644 20.879 1.00 0.00 C ATOM 757 C HIS A 57 12.672 -28.025 19.617 1.00 0.00 C ATOM 758 O HIS A 57 13.171 -29.143 19.499 1.00 0.00 O ATOM 759 CB HIS A 57 10.427 -28.014 20.719 1.00 0.00 C ATOM 760 CG HIS A 57 10.208 -29.431 20.285 1.00 0.00 C ATOM 761 ND1 HIS A 57 10.874 -30.501 20.844 1.00 0.00 N ATOM 762 CD2 HIS A 57 9.390 -29.951 19.340 1.00 0.00 C ATOM 763 CE1 HIS A 57 10.476 -31.617 20.261 1.00 0.00 C ATOM 764 NE2 HIS A 57 9.575 -31.312 19.345 1.00 0.00 N ATOM 0 H HIS A 57 11.205 -25.668 20.959 1.00 0.00 H new ATOM 0 HA HIS A 57 12.318 -28.197 21.720 1.00 0.00 H new ATOM 0 HB2 HIS A 57 9.915 -27.850 21.667 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.970 -27.345 19.990 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.717 -29.398 18.701 1.00 0.00 H new ATOM 0 HE1 HIS A 57 10.828 -32.611 20.494 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.095 -31.978 18.740 1.00 0.00 H new ATOM 771 N ASP A 58 12.764 -27.087 18.682 1.00 0.00 N ATOM 772 CA ASP A 58 13.475 -27.324 17.429 1.00 0.00 C ATOM 773 C ASP A 58 14.943 -26.934 17.556 1.00 0.00 C ATOM 774 O ASP A 58 15.797 -27.448 16.835 1.00 0.00 O ATOM 775 CB ASP A 58 12.822 -26.541 16.292 1.00 0.00 C ATOM 776 CG ASP A 58 12.743 -27.341 15.006 1.00 0.00 C ATOM 777 OD1 ASP A 58 11.956 -28.309 14.958 1.00 0.00 O ATOM 778 OD2 ASP A 58 13.471 -27.001 14.049 1.00 0.00 O ATOM 0 H ASP A 58 12.356 -26.156 18.766 1.00 0.00 H new ATOM 0 HA ASP A 58 13.419 -28.389 17.204 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.818 -26.241 16.592 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.388 -25.627 16.113 1.00 0.00 H new ATOM 782 N SER A 59 15.230 -26.019 18.478 1.00 0.00 N ATOM 783 CA SER A 59 16.595 -25.555 18.695 1.00 0.00 C ATOM 784 C SER A 59 17.530 -26.728 18.975 1.00 0.00 C ATOM 785 O SER A 59 18.729 -26.658 18.705 1.00 0.00 O ATOM 786 CB SER A 59 16.639 -24.565 19.861 1.00 0.00 C ATOM 787 OG SER A 59 17.883 -24.629 20.537 1.00 0.00 O ATOM 0 H SER A 59 14.535 -25.585 19.086 1.00 0.00 H new ATOM 0 HA SER A 59 16.931 -25.054 17.787 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.475 -23.553 19.490 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.831 -24.784 20.559 1.00 0.00 H new ATOM 0 HG SER A 59 17.887 -23.986 21.277 1.00 0.00 H new ATOM 792 N ALA A 60 16.972 -27.807 19.514 1.00 0.00 N ATOM 793 CA ALA A 60 17.754 -28.996 19.827 1.00 0.00 C ATOM 794 C ALA A 60 18.563 -29.455 18.619 1.00 0.00 C ATOM 795 O ALA A 60 19.635 -30.039 18.765 1.00 0.00 O ATOM 796 CB ALA A 60 16.842 -30.115 20.309 1.00 0.00 C ATOM 0 H ALA A 60 15.981 -27.882 19.743 1.00 0.00 H new ATOM 0 HA ALA A 60 18.453 -28.742 20.624 1.00 0.00 H new ATOM 0 HB1 ALA A 60 17.439 -30.997 20.539 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.312 -29.792 21.205 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.121 -30.358 19.529 1.00 0.00 H new ATOM 802 N GLU A 61 18.040 -29.187 17.425 1.00 0.00 N ATOM 803 CA GLU A 61 18.715 -29.574 16.192 1.00 0.00 C ATOM 804 C GLU A 61 19.486 -28.397 15.601 1.00 0.00 C ATOM 805 O GLU A 61 20.469 -28.583 14.885 1.00 0.00 O ATOM 806 CB GLU A 61 17.701 -30.098 15.174 1.00 0.00 C ATOM 807 CG GLU A 61 18.341 -30.770 13.969 1.00 0.00 C ATOM 808 CD GLU A 61 17.716 -32.114 13.651 1.00 0.00 C ATOM 809 OE1 GLU A 61 16.473 -32.190 13.581 1.00 0.00 O ATOM 810 OE2 GLU A 61 18.473 -33.091 13.472 1.00 0.00 O ATOM 0 H GLU A 61 17.152 -28.704 17.287 1.00 0.00 H new ATOM 0 HA GLU A 61 19.424 -30.367 16.429 1.00 0.00 H new ATOM 0 HB2 GLU A 61 17.038 -30.809 15.667 1.00 0.00 H new ATOM 0 HB3 GLU A 61 17.081 -29.269 14.831 1.00 0.00 H new ATOM 0 HG2 GLU A 61 18.249 -30.116 13.102 1.00 0.00 H new ATOM 0 HG3 GLU A 61 19.407 -30.904 14.156 1.00 0.00 H new ATOM 1021 N ARG A 79 20.751 7.505 19.463 1.00 0.00 N ATOM 1022 CA ARG A 79 19.943 6.882 18.422 1.00 0.00 C ATOM 1023 C ARG A 79 18.932 5.912 19.026 1.00 0.00 C ATOM 1024 O ARG A 79 17.753 5.929 18.675 1.00 0.00 O ATOM 1025 CB ARG A 79 20.839 6.144 17.423 1.00 0.00 C ATOM 1026 CG ARG A 79 20.072 5.257 16.458 1.00 0.00 C ATOM 1027 CD ARG A 79 20.461 5.536 15.015 1.00 0.00 C ATOM 1028 NE ARG A 79 21.866 5.228 14.757 1.00 0.00 N ATOM 1029 CZ ARG A 79 22.341 3.992 14.665 1.00 0.00 C ATOM 1030 NH1 ARG A 79 21.531 2.953 14.808 1.00 0.00 N ATOM 1031 NH2 ARG A 79 23.633 3.792 14.430 1.00 0.00 N ATOM 0 HA ARG A 79 19.399 7.669 17.900 1.00 0.00 H new ATOM 0 HB2 ARG A 79 21.413 6.875 16.854 1.00 0.00 H new ATOM 0 HB3 ARG A 79 21.556 5.534 17.972 1.00 0.00 H new ATOM 0 HG2 ARG A 79 20.266 4.210 16.692 1.00 0.00 H new ATOM 0 HG3 ARG A 79 19.002 5.419 16.585 1.00 0.00 H new ATOM 0 HD2 ARG A 79 19.832 4.945 14.349 1.00 0.00 H new ATOM 0 HD3 ARG A 79 20.272 6.584 14.785 1.00 0.00 H new ATOM 0 HE ARG A 79 22.517 6.005 14.641 1.00 0.00 H new ATOM 0 HH11 ARG A 79 20.538 3.101 14.990 1.00 0.00 H new ATOM 0 HH12 ARG A 79 21.900 2.005 14.737 1.00 0.00 H new ATOM 0 HH21 ARG A 79 24.261 4.588 14.320 1.00 0.00 H new ATOM 0 HH22 ARG A 79 23.997 2.842 14.359 1.00 0.00 H new ATOM 1042 N ASP A 80 19.403 5.065 19.936 1.00 0.00 N ATOM 1043 CA ASP A 80 18.542 4.088 20.590 1.00 0.00 C ATOM 1044 C ASP A 80 17.378 4.775 21.297 1.00 0.00 C ATOM 1045 O ASP A 80 16.243 4.299 21.255 1.00 0.00 O ATOM 1046 CB ASP A 80 19.345 3.257 21.593 1.00 0.00 C ATOM 1047 CG ASP A 80 18.830 1.837 21.714 1.00 0.00 C ATOM 1048 OD1 ASP A 80 19.160 1.011 20.838 1.00 0.00 O ATOM 1049 OD2 ASP A 80 18.096 1.551 22.683 1.00 0.00 O ATOM 0 H ASP A 80 20.377 5.036 20.237 1.00 0.00 H new ATOM 0 HA ASP A 80 18.139 3.427 19.823 1.00 0.00 H new ATOM 0 HB2 ASP A 80 20.391 3.236 21.287 1.00 0.00 H new ATOM 0 HB3 ASP A 80 19.308 3.738 22.570 1.00 0.00 H new ATOM 1053 N TYR A 81 17.668 5.897 21.946 1.00 0.00 N ATOM 1054 CA TYR A 81 16.646 6.650 22.665 1.00 0.00 C ATOM 1055 C TYR A 81 15.686 7.330 21.694 1.00 0.00 C ATOM 1056 O TYR A 81 14.469 7.294 21.878 1.00 0.00 O ATOM 1057 CB TYR A 81 17.297 7.695 23.573 1.00 0.00 C ATOM 1058 CG TYR A 81 16.939 7.534 25.034 1.00 0.00 C ATOM 1059 CD1 TYR A 81 15.622 7.333 25.428 1.00 0.00 C ATOM 1060 CD2 TYR A 81 17.918 7.584 26.018 1.00 0.00 C ATOM 1061 CE1 TYR A 81 15.291 7.187 26.761 1.00 0.00 C ATOM 1062 CE2 TYR A 81 17.596 7.438 27.353 1.00 0.00 C ATOM 1063 CZ TYR A 81 16.281 7.239 27.721 1.00 0.00 C ATOM 1064 OH TYR A 81 15.958 7.093 29.050 1.00 0.00 O ATOM 0 H TYR A 81 18.602 6.305 21.989 1.00 0.00 H new ATOM 0 HA TYR A 81 16.078 5.950 23.278 1.00 0.00 H new ATOM 0 HB2 TYR A 81 18.380 7.635 23.464 1.00 0.00 H new ATOM 0 HB3 TYR A 81 16.998 8.689 23.242 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.844 7.290 24.680 1.00 0.00 H new ATOM 0 HD2 TYR A 81 18.948 7.740 25.734 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.262 7.033 27.051 1.00 0.00 H new ATOM 0 HE2 TYR A 81 18.370 7.479 28.105 1.00 0.00 H new ATOM 0 HH TYR A 81 16.772 7.154 29.593 1.00 0.00 H new ATOM 1073 N MET A 82 16.243 7.952 20.659 1.00 0.00 N ATOM 1074 CA MET A 82 15.438 8.640 19.657 1.00 0.00 C ATOM 1075 C MET A 82 14.512 7.663 18.939 1.00 0.00 C ATOM 1076 O MET A 82 13.297 7.855 18.905 1.00 0.00 O ATOM 1077 CB MET A 82 16.340 9.346 18.643 1.00 0.00 C ATOM 1078 CG MET A 82 16.673 10.780 19.020 1.00 0.00 C ATOM 1079 SD MET A 82 15.599 11.980 18.207 1.00 0.00 S ATOM 1080 CE MET A 82 16.780 12.849 17.180 1.00 0.00 C ATOM 0 H MET A 82 17.249 7.993 20.493 1.00 0.00 H new ATOM 0 HA MET A 82 14.826 9.384 20.167 1.00 0.00 H new ATOM 0 HB2 MET A 82 17.267 8.782 18.539 1.00 0.00 H new ATOM 0 HB3 MET A 82 15.852 9.339 17.668 1.00 0.00 H new ATOM 0 HG2 MET A 82 16.589 10.896 20.100 1.00 0.00 H new ATOM 0 HG3 MET A 82 17.710 10.989 18.757 1.00 0.00 H new ATOM 0 HE1 MET A 82 16.267 13.626 16.613 1.00 0.00 H new ATOM 0 HE2 MET A 82 17.544 13.304 17.810 1.00 0.00 H new ATOM 0 HE3 MET A 82 17.249 12.147 16.491 1.00 0.00 H new ATOM 1088 N GLY A 83 15.095 6.614 18.366 1.00 0.00 N ATOM 1089 CA GLY A 83 14.308 5.623 17.656 1.00 0.00 C ATOM 1090 C GLY A 83 13.215 5.024 18.520 1.00 0.00 C ATOM 1091 O GLY A 83 12.139 4.687 18.025 1.00 0.00 O ATOM 0 H GLY A 83 16.099 6.433 18.381 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.860 6.082 16.775 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.964 4.828 17.302 1.00 0.00 H new ATOM 1095 N ALA A 84 13.492 4.891 19.813 1.00 0.00 N ATOM 1096 CA ALA A 84 12.524 4.327 20.747 1.00 0.00 C ATOM 1097 C ALA A 84 11.217 5.113 20.721 1.00 0.00 C ATOM 1098 O ALA A 84 10.134 4.533 20.640 1.00 0.00 O ATOM 1099 CB ALA A 84 13.101 4.304 22.154 1.00 0.00 C ATOM 0 H ALA A 84 14.378 5.166 20.238 1.00 0.00 H new ATOM 0 HA ALA A 84 12.309 3.304 20.438 1.00 0.00 H new ATOM 0 HB1 ALA A 84 12.368 3.881 22.841 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.005 3.695 22.167 1.00 0.00 H new ATOM 0 HB3 ALA A 84 13.344 5.320 22.464 1.00 0.00 H new ATOM 1105 N ALA A 85 11.325 6.435 20.792 1.00 0.00 N ATOM 1106 CA ALA A 85 10.151 7.301 20.776 1.00 0.00 C ATOM 1107 C ALA A 85 9.333 7.091 19.507 1.00 0.00 C ATOM 1108 O ALA A 85 8.109 7.228 19.516 1.00 0.00 O ATOM 1109 CB ALA A 85 10.569 8.758 20.903 1.00 0.00 C ATOM 0 H ALA A 85 12.214 6.931 20.861 1.00 0.00 H new ATOM 0 HA ALA A 85 9.524 7.039 21.628 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.683 9.393 20.890 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.105 8.902 21.841 1.00 0.00 H new ATOM 0 HB3 ALA A 85 11.219 9.024 20.069 1.00 0.00 H new ATOM 1115 N LYS A 86 10.014 6.759 18.417 1.00 0.00 N ATOM 1116 CA LYS A 86 9.351 6.530 17.138 1.00 0.00 C ATOM 1117 C LYS A 86 8.418 5.324 17.218 1.00 0.00 C ATOM 1118 O LYS A 86 7.228 5.427 16.919 1.00 0.00 O ATOM 1119 CB LYS A 86 10.386 6.315 16.033 1.00 0.00 C ATOM 1120 CG LYS A 86 11.473 7.375 16.003 1.00 0.00 C ATOM 1121 CD LYS A 86 10.890 8.766 15.818 1.00 0.00 C ATOM 1122 CE LYS A 86 11.956 9.765 15.397 1.00 0.00 C ATOM 1123 NZ LYS A 86 11.595 11.159 15.785 1.00 0.00 N ATOM 0 H LYS A 86 11.027 6.642 18.393 1.00 0.00 H new ATOM 0 HA LYS A 86 8.757 7.413 16.902 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.848 5.337 16.165 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.878 6.300 15.069 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.043 7.339 16.931 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.169 7.161 15.192 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.102 8.734 15.066 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.429 9.095 16.749 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.908 9.495 15.855 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.096 9.713 14.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.347 11.810 15.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.700 11.426 15.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.486 11.215 16.818 1.00 0.00 H new ATOM 1133 N SER A 87 8.967 4.184 17.625 1.00 0.00 N ATOM 1134 CA SER A 87 8.185 2.959 17.742 1.00 0.00 C ATOM 1135 C SER A 87 7.049 3.132 18.745 1.00 0.00 C ATOM 1136 O SER A 87 5.911 2.736 18.489 1.00 0.00 O ATOM 1137 CB SER A 87 9.082 1.795 18.165 1.00 0.00 C ATOM 1138 OG SER A 87 8.568 0.558 17.702 1.00 0.00 O ATOM 0 H SER A 87 9.950 4.083 17.879 1.00 0.00 H new ATOM 0 HA SER A 87 7.753 2.739 16.766 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.087 1.945 17.771 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.166 1.773 19.252 1.00 0.00 H new ATOM 0 HG SER A 87 9.161 -0.169 17.985 1.00 0.00 H new ATOM 1143 N LYS A 88 7.366 3.728 19.891 1.00 0.00 N ATOM 1144 CA LYS A 88 6.374 3.957 20.934 1.00 0.00 C ATOM 1145 C LYS A 88 5.281 4.902 20.448 1.00 0.00 C ATOM 1146 O LYS A 88 4.091 4.601 20.558 1.00 0.00 O ATOM 1147 CB LYS A 88 7.042 4.535 22.183 1.00 0.00 C ATOM 1148 CG LYS A 88 7.843 3.513 22.974 1.00 0.00 C ATOM 1149 CD LYS A 88 6.943 2.448 23.579 1.00 0.00 C ATOM 1150 CE LYS A 88 7.143 2.341 25.084 1.00 0.00 C ATOM 1151 NZ LYS A 88 6.492 1.124 25.644 1.00 0.00 N ATOM 0 H LYS A 88 8.303 4.061 20.120 1.00 0.00 H new ATOM 0 HA LYS A 88 5.918 2.999 21.182 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.701 5.351 21.887 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.276 4.963 22.830 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.579 3.042 22.322 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.396 4.017 23.767 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.901 2.686 23.365 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.152 1.485 23.113 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.209 2.318 25.308 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.734 3.228 25.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.651 1.087 26.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.470 1.157 25.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.900 0.277 25.200 1.00 0.00 H new ATOM 1161 N LEU A 89 5.689 6.044 19.908 1.00 0.00 N ATOM 1162 CA LEU A 89 4.744 7.034 19.402 1.00 0.00 C ATOM 1163 C LEU A 89 3.756 6.396 18.430 1.00 0.00 C ATOM 1164 O LEU A 89 2.543 6.503 18.602 1.00 0.00 O ATOM 1165 CB LEU A 89 5.490 8.177 18.712 1.00 0.00 C ATOM 1166 CG LEU A 89 4.623 9.304 18.151 1.00 0.00 C ATOM 1167 CD1 LEU A 89 3.589 9.743 19.178 1.00 0.00 C ATOM 1168 CD2 LEU A 89 5.487 10.481 17.725 1.00 0.00 C ATOM 0 H LEU A 89 6.669 6.308 19.809 1.00 0.00 H new ATOM 0 HA LEU A 89 4.186 7.433 20.249 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.193 8.608 19.425 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.079 7.759 17.896 1.00 0.00 H new ATOM 0 HG LEU A 89 4.097 8.929 17.273 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.981 10.546 18.762 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.949 8.898 19.434 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.096 10.099 20.075 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.852 11.273 17.328 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.041 10.856 18.586 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.188 10.158 16.955 1.00 0.00 H new ATOM 1179 N ASN A 90 4.286 5.732 17.409 1.00 0.00 N ATOM 1180 CA ASN A 90 3.451 5.074 16.409 1.00 0.00 C ATOM 1181 C ASN A 90 2.530 4.048 17.059 1.00 0.00 C ATOM 1182 O ASN A 90 1.448 3.755 16.548 1.00 0.00 O ATOM 1183 CB ASN A 90 4.324 4.395 15.351 1.00 0.00 C ATOM 1184 CG ASN A 90 3.901 4.747 13.939 1.00 0.00 C ATOM 1185 OD1 ASN A 90 2.906 4.230 13.430 1.00 0.00 O ATOM 1186 ND2 ASN A 90 4.656 5.631 13.299 1.00 0.00 N ATOM 0 H ASN A 90 5.289 5.635 17.251 1.00 0.00 H new ATOM 0 HA ASN A 90 2.836 5.835 15.929 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.363 4.688 15.499 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.275 3.314 15.483 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.421 5.908 12.346 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.472 6.034 13.760 1.00 0.00 H new ATOM 1192 N ASP A 91 2.965 3.502 18.190 1.00 0.00 N ATOM 1193 CA ASP A 91 2.179 2.509 18.913 1.00 0.00 C ATOM 1194 C ASP A 91 0.961 3.152 19.568 1.00 0.00 C ATOM 1195 O ASP A 91 -0.107 2.545 19.645 1.00 0.00 O ATOM 1196 CB ASP A 91 3.040 1.819 19.972 1.00 0.00 C ATOM 1197 CG ASP A 91 2.793 0.324 20.036 1.00 0.00 C ATOM 1198 OD1 ASP A 91 3.052 -0.362 19.026 1.00 0.00 O ATOM 1199 OD2 ASP A 91 2.340 -0.158 21.095 1.00 0.00 O ATOM 0 H ASP A 91 3.858 3.731 18.626 1.00 0.00 H new ATOM 0 HA ASP A 91 1.832 1.764 18.197 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.093 2.001 19.755 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.834 2.260 20.947 1.00 0.00 H new ATOM 1203 N ALA A 92 1.131 4.382 20.042 1.00 0.00 N ATOM 1204 CA ALA A 92 0.045 5.107 20.689 1.00 0.00 C ATOM 1205 C ALA A 92 -0.882 5.744 19.659 1.00 0.00 C ATOM 1206 O ALA A 92 -2.106 5.647 19.766 1.00 0.00 O ATOM 1207 CB ALA A 92 0.604 6.169 21.625 1.00 0.00 C ATOM 0 H ALA A 92 2.010 4.897 19.990 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.538 4.393 21.271 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.218 6.703 22.102 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.219 5.693 22.389 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.212 6.872 21.056 1.00 0.00 H new ATOM 1213 N VAL A 93 -0.294 6.395 18.661 1.00 0.00 N ATOM 1214 CA VAL A 93 -1.067 7.046 17.611 1.00 0.00 C ATOM 1215 C VAL A 93 -2.060 6.078 16.978 1.00 0.00 C ATOM 1216 O VAL A 93 -3.260 6.345 16.936 1.00 0.00 O ATOM 1217 CB VAL A 93 -0.151 7.618 16.512 1.00 0.00 C ATOM 1218 CG1 VAL A 93 -0.956 8.451 15.526 1.00 0.00 C ATOM 1219 CG2 VAL A 93 0.970 8.441 17.128 1.00 0.00 C ATOM 0 H VAL A 93 0.717 6.486 18.558 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.612 7.864 18.081 1.00 0.00 H new ATOM 0 HB VAL A 93 0.297 6.787 15.967 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.292 8.847 14.757 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.719 7.827 15.061 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.434 9.277 16.053 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.607 8.837 16.337 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.544 9.266 17.699 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.563 7.810 17.790 1.00 0.00 H new ATOM 1229 N GLU A 94 -1.549 4.953 16.487 1.00 0.00 N ATOM 1230 CA GLU A 94 -2.393 3.945 15.857 1.00 0.00 C ATOM 1231 C GLU A 94 -3.590 3.605 16.740 1.00 0.00 C ATOM 1232 O GLU A 94 -4.690 3.362 16.245 1.00 0.00 O ATOM 1233 CB GLU A 94 -1.582 2.678 15.568 1.00 0.00 C ATOM 1234 CG GLU A 94 -1.538 2.307 14.096 1.00 0.00 C ATOM 1235 CD GLU A 94 -2.185 0.964 13.814 1.00 0.00 C ATOM 1236 OE1 GLU A 94 -3.425 0.924 13.669 1.00 0.00 O ATOM 1237 OE2 GLU A 94 -1.452 -0.043 13.736 1.00 0.00 O ATOM 0 H GLU A 94 -0.557 4.717 16.513 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.763 4.355 14.917 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.563 2.818 15.929 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.008 1.848 16.131 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.043 3.079 13.515 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.501 2.284 13.762 1.00 0.00 H new ATOM 1242 N TYR A 95 -3.366 3.592 18.050 1.00 0.00 N ATOM 1243 CA TYR A 95 -4.426 3.281 19.002 1.00 0.00 C ATOM 1244 C TYR A 95 -5.369 4.466 19.175 1.00 0.00 C ATOM 1245 O TYR A 95 -6.586 4.299 19.260 1.00 0.00 O ATOM 1246 CB TYR A 95 -3.825 2.890 20.354 1.00 0.00 C ATOM 1247 CG TYR A 95 -4.844 2.373 21.342 1.00 0.00 C ATOM 1248 CD1 TYR A 95 -5.680 3.246 22.029 1.00 0.00 C ATOM 1249 CD2 TYR A 95 -4.973 1.013 21.592 1.00 0.00 C ATOM 1250 CE1 TYR A 95 -6.614 2.778 22.934 1.00 0.00 C ATOM 1251 CE2 TYR A 95 -5.905 0.536 22.493 1.00 0.00 C ATOM 1252 CZ TYR A 95 -6.723 1.422 23.162 1.00 0.00 C ATOM 1253 OH TYR A 95 -7.650 0.951 24.062 1.00 0.00 O ATOM 0 H TYR A 95 -2.461 3.793 18.476 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.998 2.441 18.609 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.064 2.126 20.196 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.322 3.757 20.783 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.598 4.308 21.852 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.333 0.315 21.072 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.255 3.470 23.460 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.993 -0.525 22.673 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.598 -0.027 24.104 1.00 0.00 H new ATOM 1262 N VAL A 96 -4.799 5.666 19.224 1.00 0.00 N ATOM 1263 CA VAL A 96 -5.587 6.881 19.385 1.00 0.00 C ATOM 1264 C VAL A 96 -6.491 7.113 18.179 1.00 0.00 C ATOM 1265 O VAL A 96 -7.695 7.325 18.325 1.00 0.00 O ATOM 1266 CB VAL A 96 -4.685 8.115 19.580 1.00 0.00 C ATOM 1267 CG1 VAL A 96 -5.524 9.352 19.856 1.00 0.00 C ATOM 1268 CG2 VAL A 96 -3.691 7.873 20.707 1.00 0.00 C ATOM 0 H VAL A 96 -3.793 5.822 19.154 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.200 6.744 20.276 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.125 8.284 18.660 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.869 10.213 19.991 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.193 9.533 19.015 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.112 9.198 20.761 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.061 8.754 20.832 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.232 7.679 21.633 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.067 7.013 20.464 1.00 0.00 H new ATOM 1278 N SER A 97 -5.902 7.071 16.989 1.00 0.00 N ATOM 1279 CA SER A 97 -6.655 7.280 15.756 1.00 0.00 C ATOM 1280 C SER A 97 -7.766 6.244 15.616 1.00 0.00 C ATOM 1281 O SER A 97 -8.817 6.519 15.038 1.00 0.00 O ATOM 1282 CB SER A 97 -5.721 7.209 14.546 1.00 0.00 C ATOM 1283 OG SER A 97 -5.823 8.381 13.755 1.00 0.00 O ATOM 0 H SER A 97 -4.907 6.894 16.851 1.00 0.00 H new ATOM 0 HA SER A 97 -7.109 8.270 15.799 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.692 7.082 14.883 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.968 6.336 13.942 1.00 0.00 H new ATOM 0 HG SER A 97 -5.216 8.313 12.989 1.00 0.00 H new ATOM 1288 N GLY A 98 -7.526 5.050 16.151 1.00 0.00 N ATOM 1289 CA GLY A 98 -8.514 3.991 16.075 1.00 0.00 C ATOM 1290 C GLY A 98 -9.622 4.157 17.096 1.00 0.00 C ATOM 1291 O GLY A 98 -10.719 3.624 16.925 1.00 0.00 O ATOM 0 H GLY A 98 -6.665 4.798 16.636 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.946 3.973 15.074 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.024 3.030 16.228 1.00 0.00 H new ATOM 1295 N ARG A 99 -9.334 4.896 18.163 1.00 0.00 N ATOM 1296 CA ARG A 99 -10.313 5.128 19.219 1.00 0.00 C ATOM 1297 C ARG A 99 -11.161 6.360 18.913 1.00 0.00 C ATOM 1298 O ARG A 99 -12.387 6.322 19.003 1.00 0.00 O ATOM 1299 CB ARG A 99 -9.611 5.300 20.567 1.00 0.00 C ATOM 1300 CG ARG A 99 -9.650 4.054 21.437 1.00 0.00 C ATOM 1301 CD ARG A 99 -10.771 4.127 22.463 1.00 0.00 C ATOM 1302 NE ARG A 99 -10.440 3.402 23.688 1.00 0.00 N ATOM 1303 CZ ARG A 99 -11.057 3.599 24.848 1.00 0.00 C ATOM 1304 NH1 ARG A 99 -12.033 4.492 24.941 1.00 0.00 N ATOM 1305 NH2 ARG A 99 -10.698 2.901 25.918 1.00 0.00 N ATOM 0 H ARG A 99 -8.431 5.344 18.319 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.970 4.259 19.268 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.572 5.579 20.393 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -10.076 6.125 21.107 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.787 3.174 20.809 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.695 3.935 21.948 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.975 5.170 22.703 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.684 3.714 22.033 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.695 2.707 23.650 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.312 5.030 24.121 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.505 4.641 25.833 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.948 2.213 25.850 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.172 3.053 26.808 1.00 0.00 H new ATOM 1316 N VAL A 100 -10.495 7.453 18.553 1.00 0.00 N ATOM 1317 CA VAL A 100 -11.185 8.697 18.233 1.00 0.00 C ATOM 1318 C VAL A 100 -12.291 8.465 17.210 1.00 0.00 C ATOM 1319 O VAL A 100 -13.364 9.065 17.292 1.00 0.00 O ATOM 1320 CB VAL A 100 -10.211 9.756 17.687 1.00 0.00 C ATOM 1321 CG1 VAL A 100 -10.960 11.018 17.287 1.00 0.00 C ATOM 1322 CG2 VAL A 100 -9.134 10.071 18.716 1.00 0.00 C ATOM 0 H VAL A 100 -9.479 7.502 18.476 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.623 9.062 19.162 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.727 9.352 16.798 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.254 11.754 16.904 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.690 10.778 16.514 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.474 11.427 18.157 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.454 10.822 18.313 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.599 10.453 19.624 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.576 9.164 18.948 1.00 0.00 H new