USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 613 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 SER OG : rot 180:sc= 0.256 USER MOD Set 1.2: A 73 LYS NZ :NH3+ -171:sc= 0.819 (180deg=0.286) USER MOD Set 2.1: A 34 CYS SG : rot 61:sc= 0.808 USER MOD Set 2.2: A 69 MET CE :methyl -168:sc= -0.0814 (180deg=-0.689) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 0.882 (180deg=0.831) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -140:sc= -1.3 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.236 X(o=0.24,f=-0.02) USER MOD Single : A 29 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= 0.596 K(o=0.6,f=-2!) USER MOD Single : A 44 HIS : no HD1:sc= -0.0412 X(o=-0.041,f=-0.041) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0358 USER MOD Single : A 68 LYS NZ :NH3+ -118:sc= 0.568 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= -0.0041 (180deg=-0.143) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 161:sc= -0.253 (180deg=-0.881) USER MOD Single : A 80 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.2) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.112 USER MOD Single : A 89 HIS : no HD1:sc= -0.352 K(o=-0.35,f=-1.4) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 164:sc= -0.371 (180deg=-0.722) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -12.486 -3.775 2.649 1.00 0.00 N ATOM 127 CA PHE A 11 -12.350 -3.499 1.225 1.00 0.00 C ATOM 128 C PHE A 11 -11.171 -2.560 0.988 1.00 0.00 C ATOM 129 O PHE A 11 -11.309 -1.521 0.345 1.00 0.00 O ATOM 130 CB PHE A 11 -13.649 -2.897 0.690 1.00 0.00 C ATOM 131 CG PHE A 11 -14.889 -3.687 1.045 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.829 -5.082 1.177 1.00 0.00 C ATOM 133 CD2 PHE A 11 -16.106 -3.019 1.244 1.00 0.00 C ATOM 134 CE1 PHE A 11 -15.983 -5.805 1.506 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.259 -3.743 1.577 1.00 0.00 C ATOM 136 CZ PHE A 11 -17.198 -5.137 1.707 1.00 0.00 C ATOM 0 HA PHE A 11 -12.157 -4.429 0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.754 -1.884 1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.580 -2.818 -0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.893 -5.599 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.155 -1.945 1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.936 -6.879 1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.195 -3.227 1.733 1.00 0.00 H new ATOM 0 HZ PHE A 11 -18.086 -5.696 1.962 1.00 0.00 H new ATOM 146 N VAL A 12 -10.006 -2.934 1.515 1.00 0.00 N ATOM 147 CA VAL A 12 -8.802 -2.123 1.425 1.00 0.00 C ATOM 148 C VAL A 12 -7.637 -3.008 1.008 1.00 0.00 C ATOM 149 O VAL A 12 -7.640 -4.211 1.264 1.00 0.00 O ATOM 150 CB VAL A 12 -8.528 -1.467 2.785 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.244 -0.637 2.776 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.680 -0.539 3.161 1.00 0.00 C ATOM 0 H VAL A 12 -9.875 -3.812 2.017 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.931 -1.337 0.681 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.423 -2.276 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.091 -0.192 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.397 -1.279 2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.327 0.153 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.476 -0.079 4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.783 0.238 2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.605 -1.113 3.221 1.00 0.00 H new ATOM 162 N VAL A 13 -6.638 -2.405 0.361 1.00 0.00 N ATOM 163 CA VAL A 13 -5.440 -3.125 -0.046 1.00 0.00 C ATOM 164 C VAL A 13 -4.190 -2.294 0.209 1.00 0.00 C ATOM 165 O VAL A 13 -4.245 -1.069 0.309 1.00 0.00 O ATOM 166 CB VAL A 13 -5.511 -3.516 -1.527 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.651 -4.503 -1.769 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.699 -2.296 -2.429 1.00 0.00 C ATOM 0 H VAL A 13 -6.639 -1.417 0.109 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.384 -4.033 0.554 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.560 -3.986 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.685 -4.768 -2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.487 -5.402 -1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.597 -4.045 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.744 -2.617 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.626 -1.788 -2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.860 -1.613 -2.296 1.00 0.00 H new ATOM 178 N LYS A 14 -3.056 -2.988 0.314 1.00 0.00 N ATOM 179 CA LYS A 14 -1.746 -2.381 0.459 1.00 0.00 C ATOM 180 C LYS A 14 -1.160 -2.149 -0.928 1.00 0.00 C ATOM 181 O LYS A 14 -1.619 -2.739 -1.904 1.00 0.00 O ATOM 182 CB LYS A 14 -0.819 -3.312 1.246 1.00 0.00 C ATOM 183 CG LYS A 14 -1.540 -4.000 2.407 1.00 0.00 C ATOM 184 CD LYS A 14 -0.534 -4.764 3.267 1.00 0.00 C ATOM 185 CE LYS A 14 -1.281 -5.652 4.260 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.346 -6.325 5.178 1.00 0.00 N ATOM 0 H LYS A 14 -3.029 -4.008 0.300 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.840 -1.437 0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.411 -4.068 0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.025 -2.740 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.060 -3.259 3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.296 -4.685 2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.113 -5.372 2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.109 -4.064 3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.987 -5.049 4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.864 -6.397 3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.873 -6.973 5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.353 -6.864 4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.143 -5.614 5.758 1.00 0.00 H new ATOM 200 N LEU A 15 -0.146 -1.291 -1.015 1.00 0.00 N ATOM 201 CA LEU A 15 0.557 -1.010 -2.249 1.00 0.00 C ATOM 202 C LEU A 15 2.035 -0.865 -1.905 1.00 0.00 C ATOM 203 O LEU A 15 2.375 -0.247 -0.900 1.00 0.00 O ATOM 204 CB LEU A 15 -0.023 0.296 -2.792 1.00 0.00 C ATOM 205 CG LEU A 15 0.035 0.470 -4.308 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.435 0.280 -4.883 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.920 -0.503 -4.992 1.00 0.00 C ATOM 0 H LEU A 15 0.210 -0.768 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 15 0.449 -1.794 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.064 0.368 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.508 1.128 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.263 1.500 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.406 0.417 -5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.112 1.012 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.789 -0.725 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.867 -0.366 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.639 -1.526 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.938 -0.313 -4.652 1.00 0.00 H new ATOM 219 N ARG A 16 2.920 -1.427 -2.729 1.00 0.00 N ATOM 220 CA ARG A 16 4.356 -1.351 -2.489 1.00 0.00 C ATOM 221 C ARG A 16 5.097 -1.274 -3.817 1.00 0.00 C ATOM 222 O ARG A 16 4.529 -1.570 -4.867 1.00 0.00 O ATOM 223 CB ARG A 16 4.839 -2.582 -1.714 1.00 0.00 C ATOM 224 CG ARG A 16 4.077 -2.786 -0.402 1.00 0.00 C ATOM 225 CD ARG A 16 4.755 -3.873 0.433 1.00 0.00 C ATOM 226 NE ARG A 16 4.966 -5.092 -0.355 1.00 0.00 N ATOM 227 CZ ARG A 16 5.880 -6.022 -0.074 1.00 0.00 C ATOM 228 NH1 ARG A 16 6.622 -5.948 1.029 1.00 0.00 N ATOM 229 NH2 ARG A 16 6.065 -7.042 -0.902 1.00 0.00 N ATOM 0 H ARG A 16 2.663 -1.941 -3.571 1.00 0.00 H new ATOM 0 HA ARG A 16 4.559 -0.457 -1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.724 -3.468 -2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.903 -2.478 -1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.045 -1.852 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.045 -3.067 -0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.712 -3.506 0.804 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.142 -4.102 1.305 1.00 0.00 H new ATOM 0 HE ARG A 16 4.374 -5.238 -1.173 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.497 -5.170 1.677 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.316 -6.669 1.226 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.508 -7.115 -1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.764 -7.753 -0.687 1.00 0.00 H new ATOM 243 N GLY A 17 6.368 -0.875 -3.768 1.00 0.00 N ATOM 244 CA GLY A 17 7.181 -0.788 -4.965 1.00 0.00 C ATOM 245 C GLY A 17 7.387 0.663 -5.361 1.00 0.00 C ATOM 246 O GLY A 17 7.685 1.500 -4.511 1.00 0.00 O ATOM 0 H GLY A 17 6.850 -0.609 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.146 -1.265 -4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.699 -1.329 -5.780 1.00 0.00 H new ATOM 250 N LEU A 18 7.221 0.940 -6.658 1.00 0.00 N ATOM 251 CA LEU A 18 7.285 2.282 -7.223 1.00 0.00 C ATOM 252 C LEU A 18 8.721 2.814 -7.198 1.00 0.00 C ATOM 253 O LEU A 18 9.539 2.325 -6.424 1.00 0.00 O ATOM 254 CB LEU A 18 6.349 3.234 -6.457 1.00 0.00 C ATOM 255 CG LEU A 18 5.006 2.609 -6.059 1.00 0.00 C ATOM 256 CD1 LEU A 18 4.113 3.667 -5.416 1.00 0.00 C ATOM 257 CD2 LEU A 18 4.292 2.021 -7.270 1.00 0.00 C ATOM 0 H LEU A 18 7.035 0.219 -7.355 1.00 0.00 H new ATOM 0 HA LEU A 18 6.956 2.230 -8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.857 3.579 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.160 4.113 -7.073 1.00 0.00 H new ATOM 0 HG LEU A 18 5.206 1.807 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.161 3.217 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.602 4.065 -4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.938 4.475 -6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.343 1.585 -6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.106 2.808 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.915 1.248 -7.720 1.00 0.00 H new ATOM 269 N PRO A 19 9.044 3.810 -8.033 1.00 0.00 N ATOM 270 CA PRO A 19 10.306 4.535 -7.988 1.00 0.00 C ATOM 271 C PRO A 19 10.566 5.160 -6.614 1.00 0.00 C ATOM 272 O PRO A 19 9.765 5.012 -5.692 1.00 0.00 O ATOM 273 CB PRO A 19 10.190 5.624 -9.058 1.00 0.00 C ATOM 274 CG PRO A 19 9.135 5.085 -10.019 1.00 0.00 C ATOM 275 CD PRO A 19 8.197 4.315 -9.094 1.00 0.00 C ATOM 0 HA PRO A 19 11.144 3.861 -8.169 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.887 6.578 -8.626 1.00 0.00 H new ATOM 0 HB3 PRO A 19 11.142 5.791 -9.563 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.617 5.888 -10.543 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.573 4.439 -10.780 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.414 4.962 -8.699 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.701 3.502 -9.624 1.00 0.00 H new ATOM 283 N TRP A 20 11.693 5.864 -6.471 1.00 0.00 N ATOM 284 CA TRP A 20 12.019 6.580 -5.241 1.00 0.00 C ATOM 285 C TRP A 20 10.956 7.634 -4.900 1.00 0.00 C ATOM 286 O TRP A 20 10.992 8.209 -3.813 1.00 0.00 O ATOM 287 CB TRP A 20 13.393 7.250 -5.384 1.00 0.00 C ATOM 288 CG TRP A 20 14.553 6.645 -4.644 1.00 0.00 C ATOM 289 CD1 TRP A 20 15.667 7.326 -4.300 1.00 0.00 C ATOM 290 CD2 TRP A 20 14.765 5.285 -4.140 1.00 0.00 C ATOM 291 NE1 TRP A 20 16.556 6.498 -3.654 1.00 0.00 N ATOM 292 CE2 TRP A 20 16.050 5.223 -3.520 1.00 0.00 C ATOM 293 CE3 TRP A 20 14.002 4.103 -4.107 1.00 0.00 C ATOM 294 CZ2 TRP A 20 16.553 4.058 -2.930 1.00 0.00 C ATOM 295 CZ3 TRP A 20 14.486 2.952 -3.471 1.00 0.00 C ATOM 296 CH2 TRP A 20 15.760 2.915 -2.910 1.00 0.00 C ATOM 0 H TRP A 20 12.399 5.951 -7.202 1.00 0.00 H new ATOM 0 HA TRP A 20 12.043 5.857 -4.426 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.646 7.269 -6.444 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.295 8.286 -5.061 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.836 8.373 -4.503 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.473 6.791 -3.317 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.030 4.083 -4.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.542 4.046 -2.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.858 2.075 -3.415 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.130 2.005 -2.462 1.00 0.00 H new ATOM 307 N SER A 21 10.012 7.893 -5.813 1.00 0.00 N ATOM 308 CA SER A 21 8.918 8.829 -5.594 1.00 0.00 C ATOM 309 C SER A 21 7.703 8.441 -6.439 1.00 0.00 C ATOM 310 O SER A 21 7.838 7.724 -7.431 1.00 0.00 O ATOM 311 CB SER A 21 9.375 10.246 -5.946 1.00 0.00 C ATOM 312 OG SER A 21 9.764 10.312 -7.303 1.00 0.00 O ATOM 0 H SER A 21 9.992 7.451 -6.732 1.00 0.00 H new ATOM 0 HA SER A 21 8.630 8.795 -4.543 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.568 10.953 -5.757 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.209 10.536 -5.307 1.00 0.00 H new ATOM 0 HG SER A 21 10.053 11.224 -7.517 1.00 0.00 H new ATOM 318 N CYS A 22 6.514 8.914 -6.050 1.00 0.00 N ATOM 319 CA CYS A 22 5.276 8.622 -6.763 1.00 0.00 C ATOM 320 C CYS A 22 4.177 9.610 -6.346 1.00 0.00 C ATOM 321 O CYS A 22 4.424 10.501 -5.533 1.00 0.00 O ATOM 322 CB CYS A 22 4.864 7.183 -6.449 1.00 0.00 C ATOM 323 SG CYS A 22 3.635 6.618 -7.655 1.00 0.00 S ATOM 0 H CYS A 22 6.388 9.510 -5.232 1.00 0.00 H new ATOM 0 HA CYS A 22 5.427 8.730 -7.837 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.737 6.531 -6.474 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.452 7.125 -5.442 1.00 0.00 H new ATOM 0 HG CYS A 22 2.725 5.914 -7.050 1.00 0.00 H new ATOM 329 N SER A 23 2.967 9.458 -6.896 1.00 0.00 N ATOM 330 CA SER A 23 1.830 10.307 -6.560 1.00 0.00 C ATOM 331 C SER A 23 0.519 9.527 -6.626 1.00 0.00 C ATOM 332 O SER A 23 0.468 8.404 -7.133 1.00 0.00 O ATOM 333 CB SER A 23 1.773 11.505 -7.508 1.00 0.00 C ATOM 334 OG SER A 23 1.488 11.073 -8.820 1.00 0.00 O ATOM 0 H SER A 23 2.753 8.740 -7.588 1.00 0.00 H new ATOM 0 HA SER A 23 1.963 10.661 -5.538 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.009 12.207 -7.174 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.724 12.038 -7.491 1.00 0.00 H new ATOM 0 HG SER A 23 1.452 11.848 -9.419 1.00 0.00 H new ATOM 340 N VAL A 24 -0.556 10.130 -6.104 1.00 0.00 N ATOM 341 CA VAL A 24 -1.854 9.478 -6.014 1.00 0.00 C ATOM 342 C VAL A 24 -2.469 9.230 -7.392 1.00 0.00 C ATOM 343 O VAL A 24 -3.413 8.452 -7.508 1.00 0.00 O ATOM 344 CB VAL A 24 -2.818 10.270 -5.113 1.00 0.00 C ATOM 345 CG1 VAL A 24 -2.089 11.255 -4.201 1.00 0.00 C ATOM 346 CG2 VAL A 24 -3.878 11.055 -5.881 1.00 0.00 C ATOM 0 H VAL A 24 -0.544 11.081 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.688 8.504 -5.555 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.309 9.496 -4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.815 11.788 -3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.398 10.711 -3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.533 11.970 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.518 11.586 -5.177 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.392 11.772 -6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.482 10.368 -6.473 1.00 0.00 H new ATOM 356 N GLU A 25 -1.947 9.879 -8.435 1.00 0.00 N ATOM 357 CA GLU A 25 -2.490 9.739 -9.775 1.00 0.00 C ATOM 358 C GLU A 25 -1.922 8.515 -10.481 1.00 0.00 C ATOM 359 O GLU A 25 -2.581 7.957 -11.358 1.00 0.00 O ATOM 360 CB GLU A 25 -2.171 10.991 -10.587 1.00 0.00 C ATOM 361 CG GLU A 25 -2.786 12.231 -9.936 1.00 0.00 C ATOM 362 CD GLU A 25 -2.580 13.466 -10.811 1.00 0.00 C ATOM 363 OE1 GLU A 25 -3.447 13.710 -11.680 1.00 0.00 O ATOM 364 OE2 GLU A 25 -1.558 14.159 -10.604 1.00 0.00 O ATOM 0 H GLU A 25 -1.146 10.507 -8.370 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.569 9.611 -9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.091 11.114 -10.666 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.554 10.879 -11.601 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.852 12.070 -9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.335 12.394 -8.957 1.00 0.00 H new ATOM 371 N ASP A 26 -0.710 8.087 -10.117 1.00 0.00 N ATOM 372 CA ASP A 26 -0.112 6.908 -10.726 1.00 0.00 C ATOM 373 C ASP A 26 -0.671 5.645 -10.078 1.00 0.00 C ATOM 374 O ASP A 26 -0.846 4.634 -10.757 1.00 0.00 O ATOM 375 CB ASP A 26 1.406 6.954 -10.559 1.00 0.00 C ATOM 376 CG ASP A 26 2.039 8.099 -11.349 1.00 0.00 C ATOM 377 OD1 ASP A 26 1.603 8.322 -12.499 1.00 0.00 O ATOM 378 OD2 ASP A 26 2.957 8.743 -10.794 1.00 0.00 O ATOM 0 H ASP A 26 -0.132 8.539 -9.409 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.353 6.894 -11.789 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.650 7.065 -9.503 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.835 6.007 -10.888 1.00 0.00 H new ATOM 383 N VAL A 27 -0.956 5.686 -8.773 1.00 0.00 N ATOM 384 CA VAL A 27 -1.520 4.525 -8.104 1.00 0.00 C ATOM 385 C VAL A 27 -2.953 4.274 -8.573 1.00 0.00 C ATOM 386 O VAL A 27 -3.324 3.125 -8.795 1.00 0.00 O ATOM 387 CB VAL A 27 -1.417 4.691 -6.583 1.00 0.00 C ATOM 388 CG1 VAL A 27 -2.226 5.881 -6.079 1.00 0.00 C ATOM 389 CG2 VAL A 27 -1.892 3.428 -5.870 1.00 0.00 C ATOM 0 H VAL A 27 -0.807 6.498 -8.174 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.945 3.639 -8.372 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.366 4.871 -6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.123 5.959 -4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.858 6.795 -6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.276 5.741 -6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.811 3.566 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.931 3.231 -6.133 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.274 2.584 -6.175 1.00 0.00 H new ATOM 399 N GLN A 28 -3.774 5.318 -8.733 1.00 0.00 N ATOM 400 CA GLN A 28 -5.134 5.116 -9.219 1.00 0.00 C ATOM 401 C GLN A 28 -5.134 4.702 -10.690 1.00 0.00 C ATOM 402 O GLN A 28 -6.080 4.064 -11.150 1.00 0.00 O ATOM 403 CB GLN A 28 -5.976 6.373 -8.996 1.00 0.00 C ATOM 404 CG GLN A 28 -5.473 7.564 -9.806 1.00 0.00 C ATOM 405 CD GLN A 28 -6.275 8.817 -9.480 1.00 0.00 C ATOM 406 OE1 GLN A 28 -7.196 9.186 -10.203 1.00 0.00 O ATOM 407 NE2 GLN A 28 -5.928 9.482 -8.381 1.00 0.00 N ATOM 0 H GLN A 28 -3.525 6.287 -8.537 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.584 4.303 -8.649 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.011 6.165 -9.266 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.968 6.629 -7.936 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.418 7.736 -9.592 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.550 7.344 -10.871 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.157 9.146 -7.804 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.433 10.328 -8.116 1.00 0.00 H new ATOM 416 N ASN A 29 -4.080 5.057 -11.431 1.00 0.00 N ATOM 417 CA ASN A 29 -3.919 4.618 -12.809 1.00 0.00 C ATOM 418 C ASN A 29 -3.605 3.120 -12.873 1.00 0.00 C ATOM 419 O ASN A 29 -3.909 2.470 -13.871 1.00 0.00 O ATOM 420 CB ASN A 29 -2.799 5.446 -13.454 1.00 0.00 C ATOM 421 CG ASN A 29 -1.796 4.593 -14.219 1.00 0.00 C ATOM 422 OD1 ASN A 29 -1.907 4.415 -15.428 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.809 4.060 -13.505 1.00 0.00 N ATOM 0 H ASN A 29 -3.324 5.651 -11.091 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.849 4.772 -13.356 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.239 6.177 -14.133 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.276 6.006 -12.679 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.107 3.478 -13.961 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.754 4.234 -12.501 1.00 0.00 H new ATOM 430 N PHE A 30 -2.998 2.570 -11.815 1.00 0.00 N ATOM 431 CA PHE A 30 -2.561 1.183 -11.814 1.00 0.00 C ATOM 432 C PHE A 30 -3.649 0.214 -11.345 1.00 0.00 C ATOM 433 O PHE A 30 -3.736 -0.897 -11.864 1.00 0.00 O ATOM 434 CB PHE A 30 -1.328 1.078 -10.921 1.00 0.00 C ATOM 435 CG PHE A 30 -0.884 -0.344 -10.680 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.088 -1.007 -11.622 1.00 0.00 C ATOM 437 CD2 PHE A 30 -1.278 -1.002 -9.508 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.301 -2.333 -11.395 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.909 -2.333 -9.290 1.00 0.00 C ATOM 440 CZ PHE A 30 -0.113 -3.000 -10.232 1.00 0.00 C ATOM 0 H PHE A 30 -2.801 3.072 -10.949 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.327 0.893 -12.838 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.509 1.634 -11.377 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.541 1.552 -9.963 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.225 -0.497 -12.521 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.869 -0.480 -8.770 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.921 -2.844 -12.117 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.236 -2.846 -8.398 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.181 -4.025 -10.063 1.00 0.00 H new ATOM 450 N LEU A 31 -4.480 0.612 -10.376 1.00 0.00 N ATOM 451 CA LEU A 31 -5.585 -0.227 -9.925 1.00 0.00 C ATOM 452 C LEU A 31 -6.763 -0.071 -10.885 1.00 0.00 C ATOM 453 O LEU A 31 -7.805 0.477 -10.529 1.00 0.00 O ATOM 454 CB LEU A 31 -5.989 0.080 -8.476 1.00 0.00 C ATOM 455 CG LEU A 31 -4.981 -0.369 -7.407 1.00 0.00 C ATOM 456 CD1 LEU A 31 -4.359 -1.730 -7.715 1.00 0.00 C ATOM 457 CD2 LEU A 31 -3.892 0.676 -7.233 1.00 0.00 C ATOM 0 H LEU A 31 -4.405 1.507 -9.893 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.257 -1.266 -9.932 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.143 1.155 -8.379 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.947 -0.399 -8.273 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.537 -0.475 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.655 -1.995 -6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.144 -2.485 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.834 -1.682 -8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.186 0.343 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.368 0.816 -8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.340 1.620 -6.923 1.00 0.00 H new ATOM 469 N SER A 32 -6.585 -0.564 -12.114 1.00 0.00 N ATOM 470 CA SER A 32 -7.597 -0.529 -13.154 1.00 0.00 C ATOM 471 C SER A 32 -8.912 -1.142 -12.681 1.00 0.00 C ATOM 472 O SER A 32 -8.928 -2.030 -11.831 1.00 0.00 O ATOM 473 CB SER A 32 -7.069 -1.272 -14.381 1.00 0.00 C ATOM 474 OG SER A 32 -6.752 -2.607 -14.040 1.00 0.00 O ATOM 0 H SER A 32 -5.715 -1.005 -12.412 1.00 0.00 H new ATOM 0 HA SER A 32 -7.803 0.510 -13.409 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.817 -1.259 -15.174 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.184 -0.767 -14.769 1.00 0.00 H new ATOM 0 HG SER A 32 -6.416 -3.076 -14.832 1.00 0.00 H new ATOM 480 N ASP A 33 -10.008 -0.642 -13.256 1.00 0.00 N ATOM 481 CA ASP A 33 -11.389 -1.017 -12.964 1.00 0.00 C ATOM 482 C ASP A 33 -11.794 -0.859 -11.493 1.00 0.00 C ATOM 483 O ASP A 33 -12.954 -1.089 -11.159 1.00 0.00 O ATOM 484 CB ASP A 33 -11.665 -2.434 -13.474 1.00 0.00 C ATOM 485 CG ASP A 33 -11.405 -2.548 -14.974 1.00 0.00 C ATOM 486 OD1 ASP A 33 -12.123 -1.863 -15.736 1.00 0.00 O ATOM 487 OD2 ASP A 33 -10.493 -3.319 -15.349 1.00 0.00 O ATOM 0 H ASP A 33 -9.950 0.076 -13.978 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.019 -0.306 -13.499 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.034 -3.144 -12.939 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.699 -2.704 -13.261 1.00 0.00 H new ATOM 492 N CYS A 34 -10.868 -0.473 -10.611 1.00 0.00 N ATOM 493 CA CYS A 34 -11.157 -0.294 -9.198 1.00 0.00 C ATOM 494 C CYS A 34 -11.570 1.148 -8.906 1.00 0.00 C ATOM 495 O CYS A 34 -11.688 1.973 -9.811 1.00 0.00 O ATOM 496 CB CYS A 34 -9.917 -0.662 -8.378 1.00 0.00 C ATOM 497 SG CYS A 34 -9.433 -2.371 -8.733 1.00 0.00 S ATOM 0 H CYS A 34 -9.899 -0.278 -10.863 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.986 -0.946 -8.922 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.097 0.015 -8.617 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.126 -0.547 -7.314 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.145 -2.487 -9.995 1.00 0.00 H new ATOM 503 N THR A 35 -11.789 1.440 -7.622 1.00 0.00 N ATOM 504 CA THR A 35 -12.145 2.759 -7.125 1.00 0.00 C ATOM 505 C THR A 35 -11.328 3.004 -5.859 1.00 0.00 C ATOM 506 O THR A 35 -10.968 2.049 -5.177 1.00 0.00 O ATOM 507 CB THR A 35 -13.651 2.790 -6.835 1.00 0.00 C ATOM 508 OG1 THR A 35 -14.374 2.589 -8.029 1.00 0.00 O ATOM 509 CG2 THR A 35 -14.077 4.126 -6.236 1.00 0.00 C ATOM 0 H THR A 35 -11.720 0.741 -6.883 1.00 0.00 H new ATOM 0 HA THR A 35 -11.928 3.541 -7.853 1.00 0.00 H new ATOM 0 HB THR A 35 -13.862 1.996 -6.119 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.335 2.608 -7.837 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.150 4.113 -6.043 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.542 4.293 -5.301 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.844 4.929 -6.935 1.00 0.00 H new ATOM 517 N ILE A 36 -11.035 4.267 -5.541 1.00 0.00 N ATOM 518 CA ILE A 36 -10.162 4.618 -4.424 1.00 0.00 C ATOM 519 C ILE A 36 -10.989 5.260 -3.310 1.00 0.00 C ATOM 520 O ILE A 36 -10.582 6.243 -2.697 1.00 0.00 O ATOM 521 CB ILE A 36 -8.967 5.462 -4.907 1.00 0.00 C ATOM 522 CG1 ILE A 36 -8.176 4.719 -5.995 1.00 0.00 C ATOM 523 CG2 ILE A 36 -7.982 5.726 -3.765 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.678 5.049 -7.399 1.00 0.00 C ATOM 0 H ILE A 36 -11.397 5.073 -6.051 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.715 3.722 -3.993 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.382 6.395 -5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.121 4.981 -5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.251 3.645 -5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.149 6.324 -4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.489 6.265 -2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.606 4.777 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.089 4.501 -8.134 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.726 4.763 -7.487 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.578 6.119 -7.579 1.00 0.00 H new ATOM 536 N HIS A 37 -12.168 4.680 -3.059 1.00 0.00 N ATOM 537 CA HIS A 37 -13.144 5.107 -2.060 1.00 0.00 C ATOM 538 C HIS A 37 -13.697 6.524 -2.272 1.00 0.00 C ATOM 539 O HIS A 37 -14.820 6.808 -1.861 1.00 0.00 O ATOM 540 CB HIS A 37 -12.524 4.913 -0.678 1.00 0.00 C ATOM 541 CG HIS A 37 -13.532 4.979 0.434 1.00 0.00 C ATOM 542 ND1 HIS A 37 -14.185 3.912 1.004 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.972 6.109 1.065 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.994 4.394 1.964 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.900 5.734 2.042 1.00 0.00 N ATOM 0 H HIS A 37 -12.480 3.858 -3.576 1.00 0.00 H new ATOM 0 HA HIS A 37 -14.031 4.482 -2.163 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -12.018 3.948 -0.645 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.763 5.677 -0.517 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -14.076 2.931 0.745 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.657 7.119 0.847 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.633 3.787 2.588 1.00 0.00 H new ATOM 553 N ASP A 38 -12.922 7.407 -2.909 1.00 0.00 N ATOM 554 CA ASP A 38 -13.318 8.758 -3.289 1.00 0.00 C ATOM 555 C ASP A 38 -12.444 9.273 -4.435 1.00 0.00 C ATOM 556 O ASP A 38 -12.887 10.113 -5.218 1.00 0.00 O ATOM 557 CB ASP A 38 -13.138 9.718 -2.108 1.00 0.00 C ATOM 558 CG ASP A 38 -14.249 9.600 -1.066 1.00 0.00 C ATOM 559 OD1 ASP A 38 -15.426 9.770 -1.454 1.00 0.00 O ATOM 560 OD2 ASP A 38 -13.912 9.341 0.111 1.00 0.00 O ATOM 0 H ASP A 38 -11.964 7.187 -3.183 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.363 8.718 -3.596 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -12.178 9.522 -1.631 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -13.105 10.742 -2.481 1.00 0.00 H new ATOM 565 N GLY A 39 -11.207 8.771 -4.537 1.00 0.00 N ATOM 566 CA GLY A 39 -10.223 9.252 -5.494 1.00 0.00 C ATOM 567 C GLY A 39 -9.631 10.560 -4.991 1.00 0.00 C ATOM 568 O GLY A 39 -10.363 11.486 -4.643 1.00 0.00 O ATOM 0 H GLY A 39 -10.865 8.012 -3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.435 8.510 -5.627 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.689 9.401 -6.468 1.00 0.00 H new ATOM 572 N ALA A 40 -8.298 10.631 -4.955 1.00 0.00 N ATOM 573 CA ALA A 40 -7.560 11.749 -4.386 1.00 0.00 C ATOM 574 C ALA A 40 -8.009 12.094 -2.960 1.00 0.00 C ATOM 575 O ALA A 40 -7.623 13.130 -2.419 1.00 0.00 O ATOM 576 CB ALA A 40 -7.657 12.948 -5.325 1.00 0.00 C ATOM 0 H ALA A 40 -7.696 9.897 -5.328 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.514 11.455 -4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.105 13.787 -4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.232 12.686 -6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.703 13.228 -5.451 1.00 0.00 H new ATOM 582 N ALA A 41 -8.822 11.223 -2.356 1.00 0.00 N ATOM 583 CA ALA A 41 -9.346 11.388 -1.008 1.00 0.00 C ATOM 584 C ALA A 41 -9.427 10.045 -0.277 1.00 0.00 C ATOM 585 O ALA A 41 -10.118 9.923 0.734 1.00 0.00 O ATOM 586 CB ALA A 41 -10.706 12.078 -1.083 1.00 0.00 C ATOM 0 H ALA A 41 -9.139 10.364 -2.806 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.667 12.014 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.105 12.205 -0.077 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.593 13.054 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.392 11.468 -1.671 1.00 0.00 H new ATOM 592 N GLY A 42 -8.717 9.035 -0.792 1.00 0.00 N ATOM 593 CA GLY A 42 -8.654 7.714 -0.181 1.00 0.00 C ATOM 594 C GLY A 42 -7.259 7.102 -0.308 1.00 0.00 C ATOM 595 O GLY A 42 -7.057 5.950 0.074 1.00 0.00 O ATOM 0 H GLY A 42 -8.169 9.117 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.926 7.786 0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.384 7.058 -0.655 1.00 0.00 H new ATOM 599 N VAL A 43 -6.296 7.864 -0.841 1.00 0.00 N ATOM 600 CA VAL A 43 -4.920 7.401 -0.963 1.00 0.00 C ATOM 601 C VAL A 43 -4.226 7.478 0.400 1.00 0.00 C ATOM 602 O VAL A 43 -4.674 8.203 1.288 1.00 0.00 O ATOM 603 CB VAL A 43 -4.166 8.254 -2.001 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.650 9.551 -1.372 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.997 7.450 -2.575 1.00 0.00 C ATOM 0 H VAL A 43 -6.452 8.808 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.918 6.365 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.857 8.516 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.121 10.135 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.491 10.129 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.970 9.313 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.465 8.055 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.316 7.173 -1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.377 6.548 -3.055 1.00 0.00 H new ATOM 615 N HIS A 44 -3.129 6.734 0.565 1.00 0.00 N ATOM 616 CA HIS A 44 -2.269 6.809 1.738 1.00 0.00 C ATOM 617 C HIS A 44 -0.851 6.409 1.344 1.00 0.00 C ATOM 618 O HIS A 44 -0.655 5.758 0.322 1.00 0.00 O ATOM 619 CB HIS A 44 -2.757 5.853 2.826 1.00 0.00 C ATOM 620 CG HIS A 44 -3.952 6.353 3.592 1.00 0.00 C ATOM 621 ND1 HIS A 44 -3.964 7.375 4.513 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.228 5.872 3.504 1.00 0.00 C ATOM 623 CE1 HIS A 44 -5.222 7.496 4.973 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.035 6.600 4.386 1.00 0.00 N ATOM 0 H HIS A 44 -2.813 6.054 -0.126 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.291 7.830 2.120 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.007 4.896 2.368 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.942 5.669 3.525 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.558 5.067 2.863 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.537 8.216 5.714 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.034 6.476 4.550 1.00 0.00 H new ATOM 632 N PHE A 45 0.132 6.798 2.158 1.00 0.00 N ATOM 633 CA PHE A 45 1.533 6.471 1.937 1.00 0.00 C ATOM 634 C PHE A 45 2.230 6.283 3.280 1.00 0.00 C ATOM 635 O PHE A 45 1.661 6.598 4.324 1.00 0.00 O ATOM 636 CB PHE A 45 2.205 7.591 1.143 1.00 0.00 C ATOM 637 CG PHE A 45 1.679 7.729 -0.269 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.201 6.925 -1.293 1.00 0.00 C ATOM 639 CD2 PHE A 45 0.669 8.658 -0.554 1.00 0.00 C ATOM 640 CE1 PHE A 45 1.705 7.042 -2.599 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.172 8.772 -1.860 1.00 0.00 C ATOM 642 CZ PHE A 45 0.687 7.962 -2.883 1.00 0.00 C ATOM 0 H PHE A 45 -0.029 7.355 2.997 1.00 0.00 H new ATOM 0 HA PHE A 45 1.606 5.545 1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.062 8.535 1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.279 7.406 1.106 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.985 6.215 -1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.274 9.285 0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.108 6.423 -3.387 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.609 9.485 -2.079 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.300 8.047 -3.888 1.00 0.00 H new ATOM 652 N ILE A 46 3.462 5.769 3.254 1.00 0.00 N ATOM 653 CA ILE A 46 4.216 5.496 4.469 1.00 0.00 C ATOM 654 C ILE A 46 5.660 5.943 4.275 1.00 0.00 C ATOM 655 O ILE A 46 6.211 5.839 3.178 1.00 0.00 O ATOM 656 CB ILE A 46 4.143 4.003 4.813 1.00 0.00 C ATOM 657 CG1 ILE A 46 2.713 3.492 4.601 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.580 3.784 6.266 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.562 2.050 5.064 1.00 0.00 C ATOM 0 H ILE A 46 3.958 5.533 2.394 1.00 0.00 H new ATOM 0 HA ILE A 46 3.785 6.052 5.302 1.00 0.00 H new ATOM 0 HB ILE A 46 4.814 3.447 4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.014 4.126 5.147 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.452 3.566 3.545 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.527 2.722 6.506 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.604 4.134 6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.920 4.340 6.932 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.536 1.720 4.899 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.243 1.413 4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.799 1.982 6.126 1.00 0.00 H new ATOM 826 N ALA A 57 2.556 1.913 0.741 1.00 0.00 N ATOM 827 CA ALA A 57 1.320 2.666 0.833 1.00 0.00 C ATOM 828 C ALA A 57 0.102 1.766 1.038 1.00 0.00 C ATOM 829 O ALA A 57 0.219 0.547 1.165 1.00 0.00 O ATOM 830 CB ALA A 57 1.174 3.420 -0.492 1.00 0.00 C ATOM 0 HA ALA A 57 1.363 3.333 1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.255 4.006 -0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.027 4.085 -0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.136 2.706 -1.315 1.00 0.00 H new ATOM 836 N PHE A 58 -1.075 2.396 1.067 1.00 0.00 N ATOM 837 CA PHE A 58 -2.362 1.716 1.100 1.00 0.00 C ATOM 838 C PHE A 58 -3.315 2.414 0.137 1.00 0.00 C ATOM 839 O PHE A 58 -3.080 3.553 -0.267 1.00 0.00 O ATOM 840 CB PHE A 58 -2.973 1.753 2.502 1.00 0.00 C ATOM 841 CG PHE A 58 -2.189 1.054 3.584 1.00 0.00 C ATOM 842 CD1 PHE A 58 -2.297 -0.333 3.768 1.00 0.00 C ATOM 843 CD2 PHE A 58 -1.356 1.809 4.415 1.00 0.00 C ATOM 844 CE1 PHE A 58 -1.588 -0.957 4.806 1.00 0.00 C ATOM 845 CE2 PHE A 58 -0.661 1.187 5.455 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.774 -0.195 5.656 1.00 0.00 C ATOM 0 H PHE A 58 -1.156 3.413 1.068 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.208 0.676 0.813 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.104 2.795 2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.967 1.307 2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.924 -0.919 3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.250 2.872 4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.669 -2.024 4.950 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.033 1.775 6.108 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.236 -0.671 6.462 1.00 0.00 H new ATOM 856 N VAL A 59 -4.396 1.722 -0.226 1.00 0.00 N ATOM 857 CA VAL A 59 -5.409 2.244 -1.127 1.00 0.00 C ATOM 858 C VAL A 59 -6.771 1.735 -0.669 1.00 0.00 C ATOM 859 O VAL A 59 -7.101 0.569 -0.877 1.00 0.00 O ATOM 860 CB VAL A 59 -5.123 1.786 -2.564 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.136 2.396 -3.531 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.727 2.208 -3.025 1.00 0.00 C ATOM 0 H VAL A 59 -4.589 0.776 0.103 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.398 3.334 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.194 0.698 -2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.918 2.061 -4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.141 2.080 -3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.072 3.483 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.562 1.866 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.645 3.294 -2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.978 1.765 -2.369 1.00 0.00 H new ATOM 872 N GLU A 60 -7.570 2.604 -0.045 1.00 0.00 N ATOM 873 CA GLU A 60 -8.927 2.232 0.322 1.00 0.00 C ATOM 874 C GLU A 60 -9.763 2.112 -0.945 1.00 0.00 C ATOM 875 O GLU A 60 -9.466 2.761 -1.946 1.00 0.00 O ATOM 876 CB GLU A 60 -9.550 3.278 1.247 1.00 0.00 C ATOM 877 CG GLU A 60 -8.847 3.318 2.599 1.00 0.00 C ATOM 878 CD GLU A 60 -9.675 4.120 3.601 1.00 0.00 C ATOM 879 OE1 GLU A 60 -10.518 3.489 4.277 1.00 0.00 O ATOM 880 OE2 GLU A 60 -9.463 5.350 3.683 1.00 0.00 O ATOM 0 H GLU A 60 -7.301 3.554 0.211 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.901 1.280 0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.494 4.260 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.607 3.054 1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.697 2.304 2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.860 3.767 2.490 1.00 0.00 H new ATOM 887 N LEU A 61 -10.808 1.282 -0.907 1.00 0.00 N ATOM 888 CA LEU A 61 -11.664 1.064 -2.064 1.00 0.00 C ATOM 889 C LEU A 61 -13.134 1.225 -1.688 1.00 0.00 C ATOM 890 O LEU A 61 -13.457 1.607 -0.563 1.00 0.00 O ATOM 891 CB LEU A 61 -11.430 -0.334 -2.636 1.00 0.00 C ATOM 892 CG LEU A 61 -9.948 -0.726 -2.713 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.843 -2.223 -2.946 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.246 -0.032 -3.877 1.00 0.00 C ATOM 0 H LEU A 61 -11.079 0.749 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.413 1.810 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.958 -1.062 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.863 -0.386 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.476 -0.428 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.793 -2.510 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.321 -2.754 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.340 -2.481 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.199 -0.332 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.727 -0.316 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.311 1.049 -3.749 1.00 0.00 H new ATOM 906 N GLY A 62 -14.027 0.932 -2.637 1.00 0.00 N ATOM 907 CA GLY A 62 -15.450 1.155 -2.454 1.00 0.00 C ATOM 908 C GLY A 62 -16.246 -0.115 -2.156 1.00 0.00 C ATOM 909 O GLY A 62 -17.331 -0.021 -1.584 1.00 0.00 O ATOM 0 H GLY A 62 -13.779 0.537 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.594 1.862 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.853 1.621 -3.353 1.00 0.00 H new ATOM 913 N SER A 63 -15.739 -1.297 -2.527 1.00 0.00 N ATOM 914 CA SER A 63 -16.456 -2.540 -2.267 1.00 0.00 C ATOM 915 C SER A 63 -15.534 -3.752 -2.318 1.00 0.00 C ATOM 916 O SER A 63 -14.361 -3.648 -2.673 1.00 0.00 O ATOM 917 CB SER A 63 -17.554 -2.730 -3.316 1.00 0.00 C ATOM 918 OG SER A 63 -18.511 -3.656 -2.847 1.00 0.00 O ATOM 0 H SER A 63 -14.844 -1.413 -3.003 1.00 0.00 H new ATOM 0 HA SER A 63 -16.879 -2.465 -1.265 1.00 0.00 H new ATOM 0 HB2 SER A 63 -18.034 -1.775 -3.530 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.119 -3.085 -4.250 1.00 0.00 H new ATOM 0 HG SER A 63 -19.212 -3.772 -3.522 1.00 0.00 H new ATOM 924 N GLU A 64 -16.086 -4.912 -1.955 1.00 0.00 N ATOM 925 CA GLU A 64 -15.402 -6.193 -2.025 1.00 0.00 C ATOM 926 C GLU A 64 -14.973 -6.493 -3.459 1.00 0.00 C ATOM 927 O GLU A 64 -13.979 -7.182 -3.682 1.00 0.00 O ATOM 928 CB GLU A 64 -16.385 -7.264 -1.551 1.00 0.00 C ATOM 929 CG GLU A 64 -15.800 -8.667 -1.697 1.00 0.00 C ATOM 930 CD GLU A 64 -16.774 -9.721 -1.179 1.00 0.00 C ATOM 931 OE1 GLU A 64 -16.877 -9.859 0.061 1.00 0.00 O ATOM 932 OE2 GLU A 64 -17.410 -10.384 -2.030 1.00 0.00 O ATOM 0 H GLU A 64 -17.039 -4.982 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.508 -6.176 -1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.645 -7.084 -0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.308 -7.192 -2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.570 -8.862 -2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.861 -8.733 -1.147 1.00 0.00 H new ATOM 939 N ASP A 65 -15.713 -5.983 -4.443 1.00 0.00 N ATOM 940 CA ASP A 65 -15.383 -6.245 -5.830 1.00 0.00 C ATOM 941 C ASP A 65 -14.111 -5.497 -6.229 1.00 0.00 C ATOM 942 O ASP A 65 -13.367 -5.959 -7.092 1.00 0.00 O ATOM 943 CB ASP A 65 -16.561 -5.816 -6.705 1.00 0.00 C ATOM 944 CG ASP A 65 -16.349 -6.205 -8.167 1.00 0.00 C ATOM 945 OD1 ASP A 65 -16.152 -7.414 -8.420 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.388 -5.288 -9.018 1.00 0.00 O ATOM 0 H ASP A 65 -16.534 -5.394 -4.302 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.197 -7.310 -5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.477 -6.277 -6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.695 -4.737 -6.631 1.00 0.00 H new ATOM 951 N ASP A 66 -13.852 -4.342 -5.608 1.00 0.00 N ATOM 952 CA ASP A 66 -12.673 -3.553 -5.911 1.00 0.00 C ATOM 953 C ASP A 66 -11.429 -4.177 -5.287 1.00 0.00 C ATOM 954 O ASP A 66 -10.360 -4.141 -5.893 1.00 0.00 O ATOM 955 CB ASP A 66 -12.872 -2.140 -5.368 1.00 0.00 C ATOM 956 CG ASP A 66 -14.024 -1.426 -6.067 1.00 0.00 C ATOM 957 OD1 ASP A 66 -13.798 -0.941 -7.197 1.00 0.00 O ATOM 958 OD2 ASP A 66 -15.117 -1.371 -5.463 1.00 0.00 O ATOM 0 H ASP A 66 -14.453 -3.938 -4.889 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.532 -3.522 -6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.068 -2.186 -4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.954 -1.567 -5.500 1.00 0.00 H new ATOM 963 N VAL A 67 -11.546 -4.753 -4.084 1.00 0.00 N ATOM 964 CA VAL A 67 -10.393 -5.371 -3.441 1.00 0.00 C ATOM 965 C VAL A 67 -9.993 -6.616 -4.213 1.00 0.00 C ATOM 966 O VAL A 67 -8.804 -6.886 -4.353 1.00 0.00 O ATOM 967 CB VAL A 67 -10.652 -5.647 -1.951 1.00 0.00 C ATOM 968 CG1 VAL A 67 -12.041 -6.193 -1.660 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.633 -6.628 -1.371 1.00 0.00 C ATOM 0 H VAL A 67 -12.413 -4.801 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.553 -4.677 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.559 -4.670 -1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.148 -6.362 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.791 -5.474 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.181 -7.134 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.850 -6.797 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.691 -7.574 -1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.630 -6.214 -1.473 1.00 0.00 H new ATOM 979 N LYS A 68 -10.959 -7.382 -4.720 1.00 0.00 N ATOM 980 CA LYS A 68 -10.643 -8.535 -5.541 1.00 0.00 C ATOM 981 C LYS A 68 -9.923 -8.099 -6.813 1.00 0.00 C ATOM 982 O LYS A 68 -8.910 -8.691 -7.179 1.00 0.00 O ATOM 983 CB LYS A 68 -11.938 -9.270 -5.875 1.00 0.00 C ATOM 984 CG LYS A 68 -12.469 -9.978 -4.629 1.00 0.00 C ATOM 985 CD LYS A 68 -13.823 -10.618 -4.936 1.00 0.00 C ATOM 986 CE LYS A 68 -14.348 -11.323 -3.687 1.00 0.00 C ATOM 987 NZ LYS A 68 -15.668 -11.933 -3.932 1.00 0.00 N ATOM 0 H LYS A 68 -11.956 -7.222 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.978 -9.205 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.681 -8.565 -6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.760 -9.996 -6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.761 -10.740 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.570 -9.266 -3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.532 -9.857 -5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.723 -11.331 -5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.641 -12.093 -3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.422 -10.609 -2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.374 -11.497 -3.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.943 -11.778 -4.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.619 -12.954 -3.742 1.00 0.00 H new ATOM 1001 N MET A 69 -10.438 -7.066 -7.491 1.00 0.00 N ATOM 1002 CA MET A 69 -9.858 -6.588 -8.737 1.00 0.00 C ATOM 1003 C MET A 69 -8.471 -5.981 -8.536 1.00 0.00 C ATOM 1004 O MET A 69 -7.662 -5.993 -9.462 1.00 0.00 O ATOM 1005 CB MET A 69 -10.786 -5.553 -9.372 1.00 0.00 C ATOM 1006 CG MET A 69 -11.980 -6.239 -10.033 1.00 0.00 C ATOM 1007 SD MET A 69 -12.981 -5.157 -11.086 1.00 0.00 S ATOM 1008 CE MET A 69 -13.365 -3.838 -9.906 1.00 0.00 C ATOM 0 H MET A 69 -11.262 -6.546 -7.189 1.00 0.00 H new ATOM 0 HA MET A 69 -9.745 -7.448 -9.397 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.136 -4.854 -8.612 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.238 -4.970 -10.113 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.617 -7.074 -10.633 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.618 -6.659 -9.255 1.00 0.00 H new ATOM 0 HE1 MET A 69 -14.145 -3.197 -10.318 1.00 0.00 H new ATOM 0 HE2 MET A 69 -13.712 -4.277 -8.970 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.470 -3.245 -9.719 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.184 -5.449 -7.345 1.00 0.00 N ATOM 1019 CA ALA A 70 -6.877 -4.882 -7.056 1.00 0.00 C ATOM 1020 C ALA A 70 -5.831 -5.983 -6.861 1.00 0.00 C ATOM 1021 O ALA A 70 -4.654 -5.780 -7.152 1.00 0.00 O ATOM 1022 CB ALA A 70 -6.980 -4.017 -5.802 1.00 0.00 C ATOM 0 H ALA A 70 -8.844 -5.402 -6.569 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.558 -4.271 -7.900 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.005 -3.586 -5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.700 -3.216 -5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.309 -4.630 -4.963 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.255 -7.150 -6.368 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.371 -8.282 -6.135 1.00 0.00 C ATOM 1030 C LEU A 71 -5.069 -9.041 -7.430 1.00 0.00 C ATOM 1031 O LEU A 71 -4.144 -9.850 -7.464 1.00 0.00 O ATOM 1032 CB LEU A 71 -6.028 -9.200 -5.104 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.219 -8.461 -3.775 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.109 -9.281 -2.849 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.884 -8.187 -3.096 1.00 0.00 C ATOM 0 H LEU A 71 -7.228 -7.331 -6.120 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.415 -7.920 -5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.992 -9.545 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.411 -10.085 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.695 -7.503 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.241 -8.750 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.081 -9.433 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.643 -10.248 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.055 -7.662 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.376 -9.131 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.264 -7.572 -3.748 1.00 0.00 H new ATOM 1047 N LYS A 72 -5.839 -8.792 -8.495 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.596 -9.412 -9.800 1.00 0.00 C ATOM 1049 C LYS A 72 -4.311 -8.927 -10.474 1.00 0.00 C ATOM 1050 O LYS A 72 -3.929 -9.475 -11.506 1.00 0.00 O ATOM 1051 CB LYS A 72 -6.760 -9.136 -10.753 1.00 0.00 C ATOM 1052 CG LYS A 72 -8.103 -9.646 -10.232 1.00 0.00 C ATOM 1053 CD LYS A 72 -8.047 -11.126 -9.844 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.391 -11.575 -9.274 1.00 0.00 C ATOM 1055 NZ LYS A 72 -10.457 -11.543 -10.295 1.00 0.00 N ATOM 0 H LYS A 72 -6.640 -8.161 -8.477 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.495 -10.479 -9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.830 -8.062 -10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.551 -9.603 -11.715 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.403 -9.056 -9.366 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.866 -9.501 -10.996 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.795 -11.729 -10.717 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.260 -11.286 -9.107 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.298 -12.586 -8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.666 -10.929 -8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.297 -12.040 -9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.704 -10.555 -10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.122 -12.011 -11.161 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.642 -7.915 -9.912 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.421 -7.363 -10.488 1.00 0.00 C ATOM 1071 C LYS A 73 -1.356 -7.188 -9.412 1.00 0.00 C ATOM 1072 O LYS A 73 -0.486 -6.325 -9.513 1.00 0.00 O ATOM 1073 CB LYS A 73 -2.718 -6.052 -11.220 1.00 0.00 C ATOM 1074 CG LYS A 73 -3.181 -4.954 -10.264 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.702 -4.853 -10.196 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.258 -4.294 -11.507 1.00 0.00 C ATOM 1077 NZ LYS A 73 -6.722 -4.128 -11.447 1.00 0.00 N ATOM 0 H LYS A 73 -3.934 -7.460 -9.047 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.028 -8.064 -11.224 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.823 -5.720 -11.747 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.486 -6.224 -11.974 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.787 -5.152 -9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.769 -3.997 -10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.130 -5.837 -10.002 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.993 -4.209 -9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.790 -3.333 -11.721 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.000 -4.964 -12.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.084 -3.894 -12.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.159 -5.013 -11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.957 -3.360 -10.787 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.453 -8.028 -8.385 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.602 -8.040 -7.202 1.00 0.00 C ATOM 1093 C ASP A 74 0.909 -7.916 -7.432 1.00 0.00 C ATOM 1094 O ASP A 74 1.627 -7.699 -6.457 1.00 0.00 O ATOM 1095 CB ASP A 74 -0.908 -9.307 -6.408 1.00 0.00 C ATOM 1096 CG ASP A 74 -0.398 -10.557 -7.126 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -1.073 -10.988 -8.087 1.00 0.00 O ATOM 1098 OD2 ASP A 74 0.664 -11.072 -6.711 1.00 0.00 O ATOM 0 H ASP A 74 -2.166 -8.757 -8.356 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.849 -7.128 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.448 -9.240 -5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.984 -9.389 -6.253 1.00 0.00 H new ATOM 1103 N ARG A 75 1.416 -8.043 -8.664 1.00 0.00 N ATOM 1104 CA ARG A 75 2.838 -7.873 -8.931 1.00 0.00 C ATOM 1105 C ARG A 75 3.106 -7.357 -10.352 1.00 0.00 C ATOM 1106 O ARG A 75 4.191 -7.570 -10.893 1.00 0.00 O ATOM 1107 CB ARG A 75 3.529 -9.210 -8.672 1.00 0.00 C ATOM 1108 CG ARG A 75 5.024 -9.046 -8.414 1.00 0.00 C ATOM 1109 CD ARG A 75 5.588 -10.445 -8.219 1.00 0.00 C ATOM 1110 NE ARG A 75 7.053 -10.426 -8.168 1.00 0.00 N ATOM 1111 CZ ARG A 75 7.804 -11.461 -7.781 1.00 0.00 C ATOM 1112 NH1 ARG A 75 7.244 -12.610 -7.410 1.00 0.00 N ATOM 1113 NH2 ARG A 75 9.130 -11.347 -7.764 1.00 0.00 N ATOM 0 H ARG A 75 0.857 -8.263 -9.488 1.00 0.00 H new ATOM 0 HA ARG A 75 3.244 -7.111 -8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.065 -9.696 -7.814 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.380 -9.866 -9.529 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.509 -8.546 -9.252 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.200 -8.431 -7.531 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.195 -10.872 -7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.259 -11.089 -9.034 1.00 0.00 H new ATOM 0 HE ARG A 75 7.529 -9.568 -8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.229 -12.709 -7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.830 -13.392 -7.117 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.570 -10.471 -8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.706 -12.135 -7.469 1.00 0.00 H new ATOM 1127 N GLU A 76 2.134 -6.682 -10.974 1.00 0.00 N ATOM 1128 CA GLU A 76 2.300 -6.148 -12.325 1.00 0.00 C ATOM 1129 C GLU A 76 3.294 -4.985 -12.368 1.00 0.00 C ATOM 1130 O GLU A 76 4.064 -4.765 -11.434 1.00 0.00 O ATOM 1131 CB GLU A 76 0.957 -5.712 -12.913 1.00 0.00 C ATOM 1132 CG GLU A 76 0.003 -6.893 -13.012 1.00 0.00 C ATOM 1133 CD GLU A 76 0.629 -8.095 -13.715 1.00 0.00 C ATOM 1134 OE1 GLU A 76 0.949 -7.958 -14.918 1.00 0.00 O ATOM 1135 OE2 GLU A 76 0.782 -9.141 -13.048 1.00 0.00 O ATOM 0 H GLU A 76 1.221 -6.493 -10.559 1.00 0.00 H new ATOM 0 HA GLU A 76 2.707 -6.956 -12.933 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.517 -4.934 -12.289 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.111 -5.279 -13.901 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.312 -7.186 -12.010 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.893 -6.587 -13.552 1.00 0.00 H new ATOM 1142 N SER A 77 3.272 -4.235 -13.472 1.00 0.00 N ATOM 1143 CA SER A 77 4.227 -3.164 -13.734 1.00 0.00 C ATOM 1144 C SER A 77 3.568 -1.972 -14.430 1.00 0.00 C ATOM 1145 O SER A 77 2.373 -1.999 -14.720 1.00 0.00 O ATOM 1146 CB SER A 77 5.368 -3.723 -14.588 1.00 0.00 C ATOM 1147 OG SER A 77 4.863 -4.177 -15.828 1.00 0.00 O ATOM 0 H SER A 77 2.583 -4.358 -14.214 1.00 0.00 H new ATOM 0 HA SER A 77 4.615 -2.799 -12.783 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.122 -2.953 -14.752 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.859 -4.543 -14.063 1.00 0.00 H new ATOM 0 HG SER A 77 5.598 -4.532 -16.370 1.00 0.00 H new ATOM 1153 N MET A 78 4.357 -0.924 -14.695 1.00 0.00 N ATOM 1154 CA MET A 78 3.884 0.280 -15.372 1.00 0.00 C ATOM 1155 C MET A 78 4.609 0.504 -16.701 1.00 0.00 C ATOM 1156 O MET A 78 4.172 1.331 -17.501 1.00 0.00 O ATOM 1157 CB MET A 78 4.090 1.503 -14.470 1.00 0.00 C ATOM 1158 CG MET A 78 3.108 1.541 -13.300 1.00 0.00 C ATOM 1159 SD MET A 78 3.378 2.967 -12.209 1.00 0.00 S ATOM 1160 CE MET A 78 1.924 2.835 -11.138 1.00 0.00 C ATOM 0 H MET A 78 5.345 -0.891 -14.443 1.00 0.00 H new ATOM 0 HA MET A 78 2.823 0.144 -15.581 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.109 1.498 -14.084 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.978 2.411 -15.063 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.089 1.571 -13.686 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.202 0.622 -12.721 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.093 3.403 -10.223 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.052 3.234 -11.657 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.750 1.788 -10.888 1.00 0.00 H new ATOM 1170 N GLY A 79 5.706 -0.220 -16.949 1.00 0.00 N ATOM 1171 CA GLY A 79 6.430 -0.141 -18.212 1.00 0.00 C ATOM 1172 C GLY A 79 7.935 0.041 -18.023 1.00 0.00 C ATOM 1173 O GLY A 79 8.706 -0.271 -18.930 1.00 0.00 O ATOM 0 H GLY A 79 6.112 -0.874 -16.279 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.248 -1.049 -18.787 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.039 0.691 -18.798 1.00 0.00 H new ATOM 1177 N HIS A 80 8.358 0.540 -16.856 1.00 0.00 N ATOM 1178 CA HIS A 80 9.769 0.778 -16.565 1.00 0.00 C ATOM 1179 C HIS A 80 10.110 0.442 -15.111 1.00 0.00 C ATOM 1180 O HIS A 80 11.268 0.538 -14.709 1.00 0.00 O ATOM 1181 CB HIS A 80 10.107 2.241 -16.860 1.00 0.00 C ATOM 1182 CG HIS A 80 9.843 2.644 -18.287 1.00 0.00 C ATOM 1183 ND1 HIS A 80 8.798 3.418 -18.735 1.00 0.00 N ATOM 1184 CD2 HIS A 80 10.597 2.310 -19.379 1.00 0.00 C ATOM 1185 CE1 HIS A 80 8.923 3.544 -20.067 1.00 0.00 C ATOM 1186 NE2 HIS A 80 10.008 2.885 -20.512 1.00 0.00 N ATOM 0 H HIS A 80 7.731 0.788 -16.091 1.00 0.00 H new ATOM 0 HA HIS A 80 10.365 0.124 -17.201 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.525 2.881 -16.197 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.158 2.416 -16.630 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.493 1.707 -19.369 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.243 4.100 -20.696 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.334 2.818 -21.476 1.00 0.00 H new ATOM 1194 N ARG A 81 9.105 0.047 -14.323 1.00 0.00 N ATOM 1195 CA ARG A 81 9.275 -0.355 -12.935 1.00 0.00 C ATOM 1196 C ARG A 81 8.115 -1.271 -12.558 1.00 0.00 C ATOM 1197 O ARG A 81 7.137 -1.334 -13.303 1.00 0.00 O ATOM 1198 CB ARG A 81 9.316 0.900 -12.049 1.00 0.00 C ATOM 1199 CG ARG A 81 9.955 0.610 -10.690 1.00 0.00 C ATOM 1200 CD ARG A 81 11.452 0.332 -10.848 1.00 0.00 C ATOM 1201 NE ARG A 81 12.013 -0.309 -9.655 1.00 0.00 N ATOM 1202 CZ ARG A 81 13.327 -0.424 -9.439 1.00 0.00 C ATOM 1203 NH1 ARG A 81 14.206 0.094 -10.293 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.775 -1.063 -8.362 1.00 0.00 N ATOM 0 H ARG A 81 8.138 -0.001 -14.643 1.00 0.00 H new ATOM 0 HA ARG A 81 10.210 -0.896 -12.792 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.877 1.685 -12.555 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.303 1.276 -11.903 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.806 1.459 -10.023 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.467 -0.248 -10.228 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.614 -0.308 -11.715 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.978 1.267 -11.040 1.00 0.00 H new ATOM 0 HE ARG A 81 11.371 -0.685 -8.957 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.880 0.586 -11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.206 -0.001 -10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.115 -1.467 -7.698 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.778 -1.149 -8.201 1.00 0.00 H new ATOM 1218 N TYR A 82 8.201 -1.976 -11.425 1.00 0.00 N ATOM 1219 CA TYR A 82 7.145 -2.904 -11.051 1.00 0.00 C ATOM 1220 C TYR A 82 6.428 -2.488 -9.776 1.00 0.00 C ATOM 1221 O TYR A 82 6.915 -1.668 -8.997 1.00 0.00 O ATOM 1222 CB TYR A 82 7.616 -4.362 -11.137 1.00 0.00 C ATOM 1223 CG TYR A 82 8.137 -5.064 -9.898 1.00 0.00 C ATOM 1224 CD1 TYR A 82 9.466 -4.898 -9.471 1.00 0.00 C ATOM 1225 CD2 TYR A 82 7.272 -5.912 -9.186 1.00 0.00 C ATOM 1226 CE1 TYR A 82 9.948 -5.649 -8.392 1.00 0.00 C ATOM 1227 CE2 TYR A 82 7.745 -6.645 -8.089 1.00 0.00 C ATOM 1228 CZ TYR A 82 9.096 -6.538 -7.708 1.00 0.00 C ATOM 1229 OH TYR A 82 9.580 -7.293 -6.681 1.00 0.00 O ATOM 0 H TYR A 82 8.978 -1.920 -10.766 1.00 0.00 H new ATOM 0 HA TYR A 82 6.350 -2.849 -11.795 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.781 -4.951 -11.516 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.404 -4.405 -11.889 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.113 -4.194 -9.973 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.238 -5.999 -9.485 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.978 -5.546 -8.083 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.076 -7.289 -7.538 1.00 0.00 H new ATOM 0 HH TYR A 82 8.861 -7.851 -6.318 1.00 0.00 H new ATOM 1239 N ILE A 83 5.250 -3.072 -9.574 1.00 0.00 N ATOM 1240 CA ILE A 83 4.316 -2.649 -8.551 1.00 0.00 C ATOM 1241 C ILE A 83 3.881 -3.880 -7.772 1.00 0.00 C ATOM 1242 O ILE A 83 4.104 -5.004 -8.215 1.00 0.00 O ATOM 1243 CB ILE A 83 3.099 -1.979 -9.213 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.466 -1.089 -10.414 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.313 -1.160 -8.184 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.303 0.137 -10.049 1.00 0.00 C ATOM 0 H ILE A 83 4.919 -3.862 -10.127 1.00 0.00 H new ATOM 0 HA ILE A 83 4.782 -1.930 -7.878 1.00 0.00 H new ATOM 0 HB ILE A 83 2.481 -2.790 -9.598 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.015 -1.687 -11.141 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.549 -0.758 -10.901 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.456 -0.693 -8.669 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.966 -1.816 -7.386 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.958 -0.388 -7.764 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.519 0.711 -10.950 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.749 0.759 -9.346 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.238 -0.184 -9.590 1.00 0.00 H new ATOM 1258 N GLU A 84 3.259 -3.679 -6.612 1.00 0.00 N ATOM 1259 CA GLU A 84 2.788 -4.782 -5.797 1.00 0.00 C ATOM 1260 C GLU A 84 1.519 -4.391 -5.051 1.00 0.00 C ATOM 1261 O GLU A 84 1.312 -3.220 -4.738 1.00 0.00 O ATOM 1262 CB GLU A 84 3.884 -5.168 -4.806 1.00 0.00 C ATOM 1263 CG GLU A 84 4.764 -6.279 -5.370 1.00 0.00 C ATOM 1264 CD GLU A 84 5.676 -6.822 -4.275 1.00 0.00 C ATOM 1265 OE1 GLU A 84 5.175 -7.623 -3.456 1.00 0.00 O ATOM 1266 OE2 GLU A 84 6.862 -6.433 -4.263 1.00 0.00 O ATOM 0 H GLU A 84 3.072 -2.756 -6.220 1.00 0.00 H new ATOM 0 HA GLU A 84 2.555 -5.632 -6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.496 -4.295 -4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.433 -5.496 -3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.142 -7.081 -5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.362 -5.897 -6.198 1.00 0.00 H new ATOM 1273 N VAL A 85 0.672 -5.384 -4.767 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.583 -5.185 -4.053 1.00 0.00 C ATOM 1275 C VAL A 85 -0.795 -6.363 -3.114 1.00 0.00 C ATOM 1276 O VAL A 85 -0.396 -7.480 -3.431 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.771 -5.120 -5.026 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -2.977 -4.472 -4.347 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.440 -4.326 -6.285 1.00 0.00 C ATOM 0 H VAL A 85 0.843 -6.355 -5.030 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.527 -4.244 -3.505 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.999 -6.147 -5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.811 -4.432 -5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.263 -5.060 -3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.718 -3.461 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.309 -4.307 -6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.170 -3.306 -6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.604 -4.796 -6.802 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.420 -6.120 -1.964 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.682 -7.156 -0.971 1.00 0.00 C ATOM 1291 C PHE A 86 -2.982 -6.789 -0.261 1.00 0.00 C ATOM 1292 O PHE A 86 -3.369 -5.625 -0.257 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.485 -7.225 -0.015 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.390 -8.438 0.889 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.141 -8.482 2.069 1.00 0.00 C ATOM 1296 CD2 PHE A 86 0.451 -9.517 0.566 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -1.048 -9.584 2.931 1.00 0.00 C ATOM 1298 CE2 PHE A 86 0.542 -10.620 1.420 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.203 -10.654 2.607 1.00 0.00 C ATOM 0 H PHE A 86 -1.759 -5.196 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.800 -8.144 -1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.426 -7.175 -0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.503 -6.335 0.614 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.797 -7.661 2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.029 -9.494 -0.346 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.626 -9.608 3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.187 -11.447 1.165 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.126 -11.503 3.270 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.669 -7.758 0.341 1.00 0.00 N ATOM 1310 CA LYS A 87 -4.976 -7.500 0.922 1.00 0.00 C ATOM 1311 C LYS A 87 -4.851 -6.885 2.315 1.00 0.00 C ATOM 1312 O LYS A 87 -3.874 -7.123 3.021 1.00 0.00 O ATOM 1313 CB LYS A 87 -5.759 -8.811 0.911 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.244 -8.536 1.106 1.00 0.00 C ATOM 1315 CD LYS A 87 -8.048 -9.813 0.859 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.539 -9.533 1.047 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.345 -10.741 0.785 1.00 0.00 N ATOM 0 H LYS A 87 -3.342 -8.720 0.437 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.522 -6.762 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.599 -9.331 -0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.396 -9.467 1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.425 -8.172 2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.570 -7.753 0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.862 -10.181 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.726 -10.595 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.721 -9.184 2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.849 -8.733 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.353 -10.522 0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.188 -11.058 -0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.064 -11.496 1.443 1.00 0.00 H new ATOM 1331 N SER A 88 -5.844 -6.087 2.715 1.00 0.00 N ATOM 1332 CA SER A 88 -5.804 -5.355 3.977 1.00 0.00 C ATOM 1333 C SER A 88 -7.173 -5.328 4.658 1.00 0.00 C ATOM 1334 O SER A 88 -8.144 -5.882 4.144 1.00 0.00 O ATOM 1335 CB SER A 88 -5.286 -3.940 3.714 1.00 0.00 C ATOM 1336 OG SER A 88 -5.067 -3.259 4.935 1.00 0.00 O ATOM 0 H SER A 88 -6.694 -5.932 2.173 1.00 0.00 H new ATOM 0 HA SER A 88 -5.128 -5.866 4.662 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.358 -3.986 3.145 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.005 -3.390 3.107 1.00 0.00 H new ATOM 0 HG SER A 88 -4.734 -2.356 4.751 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.245 -4.679 5.826 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.434 -4.674 6.667 1.00 0.00 C ATOM 1344 C HIS A 89 -8.539 -3.409 7.528 1.00 0.00 C ATOM 1345 O HIS A 89 -9.293 -3.394 8.498 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.400 -5.926 7.548 1.00 0.00 C ATOM 1347 CG HIS A 89 -7.069 -6.139 8.219 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -6.614 -5.508 9.354 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -6.083 -6.995 7.807 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -5.371 -5.961 9.601 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -5.007 -6.882 8.693 1.00 0.00 N ATOM 0 H HIS A 89 -6.470 -4.140 6.212 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.316 -4.678 6.027 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.176 -5.848 8.310 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.637 -6.798 6.939 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -6.128 -7.645 6.946 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.749 -5.629 10.419 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -4.126 -7.394 8.657 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.791 -2.354 7.176 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.830 -1.023 7.792 1.00 0.00 C ATOM 1361 C ARG A 90 -7.169 -0.957 9.167 1.00 0.00 C ATOM 1362 O ARG A 90 -6.603 0.078 9.510 1.00 0.00 O ATOM 1363 CB ARG A 90 -9.258 -0.472 7.906 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.822 -0.104 6.540 1.00 0.00 C ATOM 1365 CD ARG A 90 -11.174 0.587 6.708 1.00 0.00 C ATOM 1366 NE ARG A 90 -11.624 1.180 5.443 1.00 0.00 N ATOM 1367 CZ ARG A 90 -12.608 0.707 4.675 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -13.285 -0.388 5.014 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -12.918 1.342 3.549 1.00 0.00 N ATOM 0 H ARG A 90 -7.111 -2.410 6.418 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.250 -0.402 7.109 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.900 -1.216 8.378 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.260 0.407 8.551 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.129 0.554 6.016 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.934 -1.000 5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.913 -0.133 7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.098 1.363 7.470 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.146 2.023 5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.055 -0.883 5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.033 -0.732 4.412 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.406 2.182 3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.668 0.989 2.955 1.00 0.00 H new ATOM 1383 N THR A 91 -7.222 -2.028 9.963 1.00 0.00 N ATOM 1384 CA THR A 91 -6.596 -2.015 11.282 1.00 0.00 C ATOM 1385 C THR A 91 -5.091 -1.824 11.149 1.00 0.00 C ATOM 1386 O THR A 91 -4.482 -1.109 11.942 1.00 0.00 O ATOM 1387 CB THR A 91 -6.886 -3.326 12.015 1.00 0.00 C ATOM 1388 OG1 THR A 91 -8.275 -3.565 12.051 1.00 0.00 O ATOM 1389 CG2 THR A 91 -6.347 -3.269 13.441 1.00 0.00 C ATOM 0 H THR A 91 -7.686 -2.903 9.719 1.00 0.00 H new ATOM 0 HA THR A 91 -7.010 -1.186 11.855 1.00 0.00 H new ATOM 0 HB THR A 91 -6.392 -4.136 11.478 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.450 -4.407 12.521 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.561 -4.209 13.949 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.269 -3.107 13.416 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.825 -2.449 13.978 1.00 0.00 H new ATOM 1397 N GLU A 92 -4.490 -2.464 10.143 1.00 0.00 N ATOM 1398 CA GLU A 92 -3.073 -2.303 9.869 1.00 0.00 C ATOM 1399 C GLU A 92 -2.811 -0.914 9.305 1.00 0.00 C ATOM 1400 O GLU A 92 -1.818 -0.283 9.652 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.641 -3.373 8.866 1.00 0.00 C ATOM 1402 CG GLU A 92 -1.124 -3.322 8.679 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.631 -4.427 7.747 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -0.938 -5.607 8.029 1.00 0.00 O ATOM 1405 OE2 GLU A 92 0.052 -4.088 6.757 1.00 0.00 O ATOM 0 H GLU A 92 -4.971 -3.099 9.506 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.500 -2.415 10.790 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.940 -4.359 9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.140 -3.212 7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.840 -2.351 8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.635 -3.418 9.648 1.00 0.00 H new ATOM 1412 N MET A 93 -3.707 -0.442 8.436 1.00 0.00 N ATOM 1413 CA MET A 93 -3.551 0.841 7.772 1.00 0.00 C ATOM 1414 C MET A 93 -3.537 1.974 8.790 1.00 0.00 C ATOM 1415 O MET A 93 -2.751 2.907 8.662 1.00 0.00 O ATOM 1416 CB MET A 93 -4.707 1.024 6.790 1.00 0.00 C ATOM 1417 CG MET A 93 -4.568 2.332 6.009 1.00 0.00 C ATOM 1418 SD MET A 93 -5.968 2.684 4.918 1.00 0.00 S ATOM 1419 CE MET A 93 -7.234 3.011 6.172 1.00 0.00 C ATOM 0 H MET A 93 -4.558 -0.942 8.177 1.00 0.00 H new ATOM 0 HA MET A 93 -2.602 0.863 7.236 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.734 0.184 6.096 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.652 1.020 7.332 1.00 0.00 H new ATOM 0 HG2 MET A 93 -4.453 3.155 6.714 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.656 2.293 5.413 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.082 3.517 5.710 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.567 2.069 6.607 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.816 3.644 6.955 1.00 0.00 H new ATOM 1429 N ASP A 94 -4.401 1.903 9.803 1.00 0.00 N ATOM 1430 CA ASP A 94 -4.500 2.941 10.815 1.00 0.00 C ATOM 1431 C ASP A 94 -3.258 2.986 11.701 1.00 0.00 C ATOM 1432 O ASP A 94 -2.904 4.038 12.231 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.721 2.649 11.678 1.00 0.00 C ATOM 1434 CG ASP A 94 -6.058 3.825 12.591 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -6.448 4.884 12.050 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.924 3.656 13.824 1.00 0.00 O ATOM 0 H ASP A 94 -5.047 1.126 9.940 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.589 3.907 10.318 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.575 2.428 11.038 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.537 1.760 12.282 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.598 1.837 11.857 1.00 0.00 N ATOM 1442 CA TRP A 95 -1.445 1.712 12.732 1.00 0.00 C ATOM 1443 C TRP A 95 -0.172 2.279 12.108 1.00 0.00 C ATOM 1444 O TRP A 95 0.389 3.247 12.621 1.00 0.00 O ATOM 1445 CB TRP A 95 -1.233 0.236 13.064 1.00 0.00 C ATOM 1446 CG TRP A 95 -0.049 -0.034 13.938 1.00 0.00 C ATOM 1447 CD1 TRP A 95 0.040 0.247 15.257 1.00 0.00 C ATOM 1448 CD2 TRP A 95 1.233 -0.634 13.576 1.00 0.00 C ATOM 1449 NE1 TRP A 95 1.283 -0.124 15.731 1.00 0.00 N ATOM 1450 CE2 TRP A 95 2.065 -0.664 14.731 1.00 0.00 C ATOM 1451 CE3 TRP A 95 1.777 -1.146 12.385 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 3.371 -1.166 14.700 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 3.087 -1.648 12.341 1.00 0.00 C ATOM 1454 CH2 TRP A 95 3.885 -1.659 13.494 1.00 0.00 C ATOM 0 H TRP A 95 -2.852 0.972 11.379 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.648 2.290 13.634 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.128 -0.146 13.556 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.118 -0.321 12.134 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.743 0.694 15.851 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.585 -0.013 16.699 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.176 -1.153 11.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.975 -1.173 15.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.484 -2.029 11.411 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.892 -2.046 13.452 1.00 0.00 H new ATOM 1465 N VAL A 96 0.291 1.688 11.004 1.00 0.00 N ATOM 1466 CA VAL A 96 1.579 2.045 10.418 1.00 0.00 C ATOM 1467 C VAL A 96 1.577 3.468 9.854 1.00 0.00 C ATOM 1468 O VAL A 96 2.643 4.060 9.690 1.00 0.00 O ATOM 1469 CB VAL A 96 1.965 0.995 9.371 1.00 0.00 C ATOM 1470 CG1 VAL A 96 0.940 0.972 8.253 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.360 1.257 8.807 1.00 0.00 C ATOM 0 H VAL A 96 -0.211 0.958 10.499 1.00 0.00 H new ATOM 0 HA VAL A 96 2.339 2.045 11.200 1.00 0.00 H new ATOM 0 HB VAL A 96 1.982 0.021 9.860 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.224 0.222 7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.040 0.725 8.662 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.898 1.952 7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.603 0.494 8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.383 2.240 8.336 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.091 1.224 9.615 1.00 0.00 H new ATOM 1481 N LEU A 97 0.400 4.033 9.554 1.00 0.00 N ATOM 1482 CA LEU A 97 0.297 5.409 9.079 1.00 0.00 C ATOM 1483 C LEU A 97 0.775 6.407 10.139 1.00 0.00 C ATOM 1484 O LEU A 97 0.974 7.579 9.824 1.00 0.00 O ATOM 1485 CB LEU A 97 -1.161 5.716 8.710 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.432 5.864 7.206 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.675 7.064 6.639 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -1.057 4.620 6.402 1.00 0.00 C ATOM 0 H LEU A 97 -0.495 3.551 9.634 1.00 0.00 H new ATOM 0 HA LEU A 97 0.937 5.512 8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.794 4.920 9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.461 6.637 9.210 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.508 6.011 7.110 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.880 7.152 5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.999 7.972 7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.395 6.925 6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.273 4.790 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.006 4.413 6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.636 3.768 6.758 1.00 0.00 H new ATOM 1500 N LYS A 98 0.959 5.956 11.388 1.00 0.00 N ATOM 1501 CA LYS A 98 1.340 6.815 12.501 1.00 0.00 C ATOM 1502 C LYS A 98 2.355 6.152 13.435 1.00 0.00 C ATOM 1503 O LYS A 98 2.642 6.694 14.501 1.00 0.00 O ATOM 1504 CB LYS A 98 0.083 7.182 13.283 1.00 0.00 C ATOM 1505 CG LYS A 98 -0.880 7.990 12.413 1.00 0.00 C ATOM 1506 CD LYS A 98 -1.994 8.546 13.290 1.00 0.00 C ATOM 1507 CE LYS A 98 -2.978 9.344 12.436 1.00 0.00 C ATOM 1508 NZ LYS A 98 -4.069 9.899 13.259 1.00 0.00 N ATOM 0 H LYS A 98 0.845 4.976 11.649 1.00 0.00 H new ATOM 0 HA LYS A 98 1.820 7.704 12.093 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.410 6.276 13.634 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.354 7.760 14.166 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.349 8.803 11.919 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.298 7.359 11.628 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.514 7.731 13.793 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.573 9.184 14.067 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.452 10.154 11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.395 8.702 11.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.722 10.436 12.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.584 9.123 13.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.671 10.530 13.983 1.00 0.00 H new