USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 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 43 LYS NZ :NH3+ 147:sc= -0.886! (180deg=-3.23!) USER MOD Set 1.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 83 SER OG : rot -83:sc= 1.76 USER MOD Set 2.2: A 85 ASN : amide:sc= 0.598 K(o=2.4,f=1.4) USER MOD Set 3.1: A 26 SER OG : rot 3:sc= 1.51 USER MOD Set 3.2: A 67 ASN : amide:sc= 0 K(o=1.5,f=0.043) USER MOD Set 4.1: A 36 SER OG : rot -85:sc= 1.24 USER MOD Set 4.2: A 91 ASN : amide:sc= 0.0116 K(o=1.2,f=-0.23) USER MOD Set 5.1: A 23 MET CE :methyl -125:sc= -0.0771 (180deg=-0.868) USER MOD Set 5.2: A 33 MET CE :methyl 159:sc= -1.22 (180deg=-1.71) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.166 K(o=0.17,f=-5.6!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 31 HIS : no HE2:sc= -0.114 K(o=-0.11,f=-7.2!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -169:sc= -1.33 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 2.43 (180deg=2.05) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.3 USER MOD Single : A 46 HIS : no HE2:sc= 1.05 K(o=1.1,f=-5.1!) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0808 USER MOD Single : A 63 GLN : amide:sc= 1.17 K(o=1.2,f=-0.012) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0322 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0208) USER MOD Single : A 80 LYS NZ :NH3+ -111:sc= 0.198 (180deg=-0.18) USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= -0.035 (180deg=-0.352) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00992 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN :FLIP amide:sc=-0.00267 F(o=-1.1,f=-0.0027) USER MOD Single : A 102 GLN :FLIP amide:sc= -0.143 F(o=-1.1,f=-0.14) USER MOD Single : A 104 LYS NZ :NH3+ 164:sc= -0.0372 (180deg=-0.281) USER MOD Single : A 110 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 163 N ALA A 12 12.439 3.915 -1.056 1.00 0.00 N ATOM 164 CA ALA A 12 11.637 2.822 -1.589 1.00 0.00 C ATOM 165 C ALA A 12 10.205 2.915 -1.072 1.00 0.00 C ATOM 166 O ALA A 12 9.247 2.685 -1.810 1.00 0.00 O ATOM 167 CB ALA A 12 12.249 1.481 -1.217 1.00 0.00 C ATOM 0 HA ALA A 12 11.621 2.903 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.637 0.676 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.256 1.414 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.294 1.390 -0.132 1.00 0.00 H new ATOM 173 N ILE A 13 10.073 3.280 0.196 1.00 0.00 N ATOM 174 CA ILE A 13 8.766 3.427 0.819 1.00 0.00 C ATOM 175 C ILE A 13 8.125 4.733 0.373 1.00 0.00 C ATOM 176 O ILE A 13 6.927 4.792 0.101 1.00 0.00 O ATOM 177 CB ILE A 13 8.870 3.396 2.362 1.00 0.00 C ATOM 178 CG1 ILE A 13 9.538 2.094 2.821 1.00 0.00 C ATOM 179 CG2 ILE A 13 7.495 3.550 3.002 1.00 0.00 C ATOM 180 CD1 ILE A 13 8.829 0.843 2.347 1.00 0.00 C ATOM 0 H ILE A 13 10.859 3.480 0.815 1.00 0.00 H new ATOM 0 HA ILE A 13 8.146 2.587 0.504 1.00 0.00 H new ATOM 0 HB ILE A 13 9.486 4.236 2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.566 2.077 2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.583 2.084 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.594 3.525 4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.057 4.501 2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.849 2.734 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.360 -0.036 2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.809 0.835 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.807 0.828 1.257 1.00 0.00 H new ATOM 192 N GLU A 14 8.945 5.774 0.279 1.00 0.00 N ATOM 193 CA GLU A 14 8.485 7.071 -0.196 1.00 0.00 C ATOM 194 C GLU A 14 7.956 6.988 -1.631 1.00 0.00 C ATOM 195 O GLU A 14 7.031 7.713 -1.998 1.00 0.00 O ATOM 196 CB GLU A 14 9.609 8.109 -0.099 1.00 0.00 C ATOM 197 CG GLU A 14 9.626 8.892 1.212 1.00 0.00 C ATOM 198 CD GLU A 14 9.794 8.015 2.442 1.00 0.00 C ATOM 199 OE1 GLU A 14 8.767 7.554 2.991 1.00 0.00 O ATOM 200 OE2 GLU A 14 10.946 7.803 2.874 1.00 0.00 O ATOM 0 H GLU A 14 9.934 5.743 0.527 1.00 0.00 H new ATOM 0 HA GLU A 14 7.661 7.385 0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.567 7.603 -0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.513 8.811 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.437 9.619 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.697 9.455 1.301 1.00 0.00 H new ATOM 207 N LYS A 15 8.534 6.105 -2.444 1.00 0.00 N ATOM 208 CA LYS A 15 8.052 5.913 -3.811 1.00 0.00 C ATOM 209 C LYS A 15 6.765 5.098 -3.835 1.00 0.00 C ATOM 210 O LYS A 15 5.886 5.349 -4.657 1.00 0.00 O ATOM 211 CB LYS A 15 9.119 5.267 -4.696 1.00 0.00 C ATOM 212 CG LYS A 15 10.106 6.271 -5.266 1.00 0.00 C ATOM 213 CD LYS A 15 9.391 7.329 -6.092 1.00 0.00 C ATOM 214 CE LYS A 15 10.361 8.320 -6.708 1.00 0.00 C ATOM 215 NZ LYS A 15 9.647 9.376 -7.473 1.00 0.00 N ATOM 0 H LYS A 15 9.327 5.518 -2.185 1.00 0.00 H new ATOM 0 HA LYS A 15 7.834 6.900 -4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.662 4.522 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.632 4.739 -5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.655 6.748 -4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.839 5.754 -5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.816 6.845 -6.882 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.680 7.862 -5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.961 8.780 -5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.050 7.794 -7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.339 10.037 -7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.095 8.938 -8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.008 9.893 -6.837 1.00 0.00 H new ATOM 229 N ALA A 16 6.647 4.134 -2.932 1.00 0.00 N ATOM 230 CA ALA A 16 5.392 3.412 -2.769 1.00 0.00 C ATOM 231 C ALA A 16 4.315 4.383 -2.295 1.00 0.00 C ATOM 232 O ALA A 16 3.150 4.302 -2.695 1.00 0.00 O ATOM 233 CB ALA A 16 5.554 2.260 -1.788 1.00 0.00 C ATOM 0 H ALA A 16 7.396 3.836 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 16 5.095 2.986 -3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.604 1.736 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.311 1.569 -2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.863 2.649 -0.818 1.00 0.00 H new ATOM 239 N LEU A 17 4.732 5.320 -1.454 1.00 0.00 N ATOM 240 CA LEU A 17 3.869 6.388 -0.987 1.00 0.00 C ATOM 241 C LEU A 17 3.435 7.264 -2.155 1.00 0.00 C ATOM 242 O LEU A 17 2.301 7.733 -2.204 1.00 0.00 O ATOM 243 CB LEU A 17 4.612 7.241 0.039 1.00 0.00 C ATOM 244 CG LEU A 17 3.750 8.260 0.775 1.00 0.00 C ATOM 245 CD1 LEU A 17 2.818 7.551 1.736 1.00 0.00 C ATOM 246 CD2 LEU A 17 4.621 9.272 1.502 1.00 0.00 C ATOM 0 H LEU A 17 5.679 5.358 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 17 2.986 5.947 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.073 6.580 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.420 7.769 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 17 3.146 8.803 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.206 8.286 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.173 6.870 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.404 6.986 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.987 9.991 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.252 8.756 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.249 9.796 0.781 1.00 0.00 H new ATOM 258 N ASP A 18 4.354 7.469 -3.090 1.00 0.00 N ATOM 259 CA ASP A 18 4.101 8.289 -4.269 1.00 0.00 C ATOM 260 C ASP A 18 2.983 7.679 -5.109 1.00 0.00 C ATOM 261 O ASP A 18 2.195 8.393 -5.727 1.00 0.00 O ATOM 262 CB ASP A 18 5.386 8.418 -5.096 1.00 0.00 C ATOM 263 CG ASP A 18 5.294 9.476 -6.177 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.564 10.658 -5.876 1.00 0.00 O ATOM 265 OD2 ASP A 18 4.983 9.133 -7.335 1.00 0.00 O ATOM 0 H ASP A 18 5.293 7.073 -3.053 1.00 0.00 H new ATOM 0 HA ASP A 18 3.786 9.283 -3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.216 8.657 -4.431 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.613 7.456 -5.556 1.00 0.00 H new ATOM 270 N PHE A 19 2.918 6.350 -5.117 1.00 0.00 N ATOM 271 CA PHE A 19 1.837 5.636 -5.793 1.00 0.00 C ATOM 272 C PHE A 19 0.504 5.832 -5.076 1.00 0.00 C ATOM 273 O PHE A 19 -0.536 5.985 -5.713 1.00 0.00 O ATOM 274 CB PHE A 19 2.134 4.136 -5.862 1.00 0.00 C ATOM 275 CG PHE A 19 3.210 3.749 -6.838 1.00 0.00 C ATOM 276 CD1 PHE A 19 3.094 4.075 -8.178 1.00 0.00 C ATOM 277 CD2 PHE A 19 4.326 3.045 -6.418 1.00 0.00 C ATOM 278 CE1 PHE A 19 4.073 3.705 -9.080 1.00 0.00 C ATOM 279 CE2 PHE A 19 5.305 2.667 -7.316 1.00 0.00 C ATOM 280 CZ PHE A 19 5.178 3.001 -8.650 1.00 0.00 C ATOM 0 H PHE A 19 3.602 5.745 -4.663 1.00 0.00 H new ATOM 0 HA PHE A 19 1.768 6.048 -6.800 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.423 3.791 -4.869 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.217 3.610 -6.127 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.230 4.624 -8.522 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.432 2.788 -5.374 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.973 3.967 -10.123 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.167 2.112 -6.976 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.943 2.711 -9.355 1.00 0.00 H new ATOM 290 N ILE A 20 0.540 5.804 -3.750 1.00 0.00 N ATOM 291 CA ILE A 20 -0.683 5.868 -2.956 1.00 0.00 C ATOM 292 C ILE A 20 -1.092 7.314 -2.658 1.00 0.00 C ATOM 293 O ILE A 20 -1.993 7.858 -3.292 1.00 0.00 O ATOM 294 CB ILE A 20 -0.526 5.091 -1.629 1.00 0.00 C ATOM 295 CG1 ILE A 20 -0.063 3.657 -1.906 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.842 5.084 -0.857 1.00 0.00 C ATOM 297 CD1 ILE A 20 0.213 2.847 -0.656 1.00 0.00 C ATOM 0 H ILE A 20 1.398 5.738 -3.202 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.469 5.403 -3.551 1.00 0.00 H new ATOM 0 HB ILE A 20 0.229 5.590 -1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.825 3.148 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.842 3.689 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.714 4.533 0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.139 6.109 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.614 4.605 -1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.536 1.844 -0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.997 3.331 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.695 2.782 -0.057 1.00 0.00 H new ATOM 309 N GLY A 21 -0.401 7.944 -1.711 1.00 0.00 N ATOM 310 CA GLY A 21 -0.790 9.270 -1.266 1.00 0.00 C ATOM 311 C GLY A 21 -0.186 10.371 -2.110 1.00 0.00 C ATOM 312 O GLY A 21 -0.493 11.548 -1.921 1.00 0.00 O ATOM 0 H GLY A 21 0.421 7.559 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.877 9.353 -1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.485 9.404 -0.228 1.00 0.00 H new ATOM 316 N GLY A 22 0.672 9.989 -3.046 1.00 0.00 N ATOM 317 CA GLY A 22 1.305 10.962 -3.915 1.00 0.00 C ATOM 318 C GLY A 22 0.459 11.290 -5.129 1.00 0.00 C ATOM 319 O GLY A 22 0.906 11.992 -6.036 1.00 0.00 O ATOM 0 H GLY A 22 0.942 9.021 -3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.498 11.876 -3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.271 10.578 -4.242 1.00 0.00 H new ATOM 323 N MET A 23 -0.765 10.783 -5.149 1.00 0.00 N ATOM 324 CA MET A 23 -1.676 11.037 -6.255 1.00 0.00 C ATOM 325 C MET A 23 -2.584 12.218 -5.941 1.00 0.00 C ATOM 326 O MET A 23 -3.434 12.142 -5.048 1.00 0.00 O ATOM 327 CB MET A 23 -2.517 9.796 -6.561 1.00 0.00 C ATOM 328 CG MET A 23 -1.703 8.620 -7.074 1.00 0.00 C ATOM 329 SD MET A 23 -0.824 8.998 -8.603 1.00 0.00 S ATOM 330 CE MET A 23 0.096 7.479 -8.848 1.00 0.00 C ATOM 0 H MET A 23 -1.150 10.193 -4.411 1.00 0.00 H new ATOM 0 HA MET A 23 -1.079 11.278 -7.135 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.046 9.494 -5.657 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.274 10.054 -7.302 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.985 8.320 -6.311 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.365 7.770 -7.240 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.157 7.708 -8.945 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.056 6.819 -7.994 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.253 6.985 -9.755 1.00 0.00 H new ATOM 340 N ASN A 24 -2.382 13.314 -6.675 1.00 0.00 N ATOM 341 CA ASN A 24 -3.182 14.532 -6.513 1.00 0.00 C ATOM 342 C ASN A 24 -3.096 15.029 -5.065 1.00 0.00 C ATOM 343 O ASN A 24 -2.138 14.722 -4.351 1.00 0.00 O ATOM 344 CB ASN A 24 -4.639 14.248 -6.910 1.00 0.00 C ATOM 345 CG ASN A 24 -5.382 15.475 -7.413 1.00 0.00 C ATOM 346 OD1 ASN A 24 -5.118 16.601 -6.994 1.00 0.00 O ATOM 347 ND2 ASN A 24 -6.317 15.263 -8.323 1.00 0.00 N ATOM 0 H ASN A 24 -1.663 13.384 -7.395 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.790 15.314 -7.164 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.653 13.482 -7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.169 13.840 -6.049 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.847 16.048 -8.702 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.508 14.315 -8.647 1.00 0.00 H new ATOM 354 N THR A 25 -4.082 15.800 -4.632 1.00 0.00 N ATOM 355 CA THR A 25 -4.156 16.255 -3.250 1.00 0.00 C ATOM 356 C THR A 25 -4.876 15.229 -2.377 1.00 0.00 C ATOM 357 O THR A 25 -5.674 15.599 -1.514 1.00 0.00 O ATOM 358 CB THR A 25 -4.888 17.607 -3.160 1.00 0.00 C ATOM 359 OG1 THR A 25 -6.128 17.539 -3.880 1.00 0.00 O ATOM 360 CG2 THR A 25 -4.026 18.731 -3.717 1.00 0.00 C ATOM 0 H THR A 25 -4.848 16.126 -5.222 1.00 0.00 H new ATOM 0 HA THR A 25 -3.135 16.376 -2.887 1.00 0.00 H new ATOM 0 HB THR A 25 -5.090 17.819 -2.110 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.590 18.401 -3.818 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.566 19.675 -3.642 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.100 18.796 -3.146 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.794 18.528 -4.763 1.00 0.00 H new ATOM 368 N SER A 26 -4.559 13.950 -2.612 1.00 0.00 N ATOM 369 CA SER A 26 -5.149 12.802 -1.913 1.00 0.00 C ATOM 370 C SER A 26 -6.671 12.754 -2.067 1.00 0.00 C ATOM 371 O SER A 26 -7.397 13.599 -1.549 1.00 0.00 O ATOM 372 CB SER A 26 -4.742 12.765 -0.425 1.00 0.00 C ATOM 373 OG SER A 26 -5.240 13.876 0.301 1.00 0.00 O ATOM 0 H SER A 26 -3.868 13.678 -3.311 1.00 0.00 H new ATOM 0 HA SER A 26 -4.745 11.909 -2.389 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.112 11.844 0.027 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.655 12.743 -0.349 1.00 0.00 H new ATOM 0 HG SER A 26 -5.796 14.428 -0.287 1.00 0.00 H new ATOM 430 N HIS A 31 -12.568 6.348 -5.485 1.00 0.00 N ATOM 431 CA HIS A 31 -11.249 6.561 -6.063 1.00 0.00 C ATOM 432 C HIS A 31 -11.179 5.990 -7.472 1.00 0.00 C ATOM 433 O HIS A 31 -12.006 5.160 -7.856 1.00 0.00 O ATOM 434 CB HIS A 31 -10.182 5.900 -5.190 1.00 0.00 C ATOM 435 CG HIS A 31 -10.334 6.160 -3.715 1.00 0.00 C ATOM 436 ND1 HIS A 31 -10.758 5.191 -2.831 1.00 0.00 N ATOM 437 CD2 HIS A 31 -10.113 7.273 -2.967 1.00 0.00 C ATOM 438 CE1 HIS A 31 -10.789 5.690 -1.613 1.00 0.00 C ATOM 439 NE2 HIS A 31 -10.402 6.948 -1.664 1.00 0.00 N ATOM 0 HA HIS A 31 -11.066 7.635 -6.111 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.206 4.824 -5.361 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.201 6.251 -5.509 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -11.009 4.235 -3.082 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -9.774 8.232 -3.329 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.083 5.157 -0.721 1.00 0.00 H new ATOM 448 N SER A 32 -10.179 6.415 -8.234 1.00 0.00 N ATOM 449 CA SER A 32 -10.043 5.977 -9.614 1.00 0.00 C ATOM 450 C SER A 32 -8.945 4.925 -9.735 1.00 0.00 C ATOM 451 O SER A 32 -9.216 3.720 -9.758 1.00 0.00 O ATOM 452 CB SER A 32 -9.731 7.175 -10.519 1.00 0.00 C ATOM 453 OG SER A 32 -9.862 6.836 -11.890 1.00 0.00 O ATOM 0 H SER A 32 -9.454 7.060 -7.920 1.00 0.00 H new ATOM 0 HA SER A 32 -10.985 5.531 -9.931 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.404 7.998 -10.280 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.717 7.526 -10.325 1.00 0.00 H new ATOM 0 HG SER A 32 -9.659 7.620 -12.442 1.00 0.00 H new ATOM 459 N MET A 33 -7.703 5.387 -9.779 1.00 0.00 N ATOM 460 CA MET A 33 -6.545 4.506 -9.867 1.00 0.00 C ATOM 461 C MET A 33 -5.960 4.307 -8.482 1.00 0.00 C ATOM 462 O MET A 33 -5.413 3.252 -8.160 1.00 0.00 O ATOM 463 CB MET A 33 -5.483 5.120 -10.790 1.00 0.00 C ATOM 464 CG MET A 33 -4.258 4.238 -11.004 1.00 0.00 C ATOM 465 SD MET A 33 -2.703 5.075 -10.613 1.00 0.00 S ATOM 466 CE MET A 33 -2.826 5.216 -8.829 1.00 0.00 C ATOM 0 H MET A 33 -7.469 6.380 -9.755 1.00 0.00 H new ATOM 0 HA MET A 33 -6.857 3.545 -10.277 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.937 5.333 -11.758 1.00 0.00 H new ATOM 0 HB3 MET A 33 -5.162 6.074 -10.372 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.348 3.345 -10.386 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.234 3.906 -12.042 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.831 5.356 -8.406 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.452 6.071 -8.574 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.269 4.307 -8.422 1.00 0.00 H new ATOM 476 N ASP A 34 -6.132 5.331 -7.659 1.00 0.00 N ATOM 477 CA ASP A 34 -5.520 5.412 -6.340 1.00 0.00 C ATOM 478 C ASP A 34 -6.091 4.375 -5.376 1.00 0.00 C ATOM 479 O ASP A 34 -5.590 4.203 -4.271 1.00 0.00 O ATOM 480 CB ASP A 34 -5.703 6.827 -5.785 1.00 0.00 C ATOM 481 CG ASP A 34 -7.152 7.282 -5.807 1.00 0.00 C ATOM 482 OD1 ASP A 34 -7.760 7.313 -6.910 1.00 0.00 O ATOM 483 OD2 ASP A 34 -7.689 7.610 -4.732 1.00 0.00 O ATOM 0 H ASP A 34 -6.708 6.140 -7.891 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.457 5.192 -6.443 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.331 6.862 -4.761 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.099 7.522 -6.368 1.00 0.00 H new ATOM 488 N GLU A 35 -7.142 3.689 -5.795 1.00 0.00 N ATOM 489 CA GLU A 35 -7.674 2.589 -5.013 1.00 0.00 C ATOM 490 C GLU A 35 -7.246 1.251 -5.606 1.00 0.00 C ATOM 491 O GLU A 35 -6.745 0.379 -4.897 1.00 0.00 O ATOM 492 CB GLU A 35 -9.196 2.656 -4.934 1.00 0.00 C ATOM 493 CG GLU A 35 -9.787 1.617 -4.001 1.00 0.00 C ATOM 494 CD GLU A 35 -11.284 1.743 -3.852 1.00 0.00 C ATOM 495 OE1 GLU A 35 -11.758 2.847 -3.513 1.00 0.00 O ATOM 496 OE2 GLU A 35 -11.986 0.733 -4.054 1.00 0.00 O ATOM 0 H GLU A 35 -7.639 3.874 -6.666 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.271 2.676 -4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.494 3.649 -4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.613 2.519 -5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.547 0.622 -4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.320 1.710 -3.020 1.00 0.00 H new ATOM 503 N SER A 36 -7.429 1.102 -6.914 1.00 0.00 N ATOM 504 CA SER A 36 -7.164 -0.161 -7.586 1.00 0.00 C ATOM 505 C SER A 36 -5.675 -0.500 -7.531 1.00 0.00 C ATOM 506 O SER A 36 -5.297 -1.617 -7.164 1.00 0.00 O ATOM 507 CB SER A 36 -7.653 -0.094 -9.036 1.00 0.00 C ATOM 508 OG SER A 36 -7.696 -1.382 -9.632 1.00 0.00 O ATOM 0 H SER A 36 -7.761 1.844 -7.530 1.00 0.00 H new ATOM 0 HA SER A 36 -7.707 -0.953 -7.071 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.646 0.355 -9.066 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.993 0.553 -9.614 1.00 0.00 H new ATOM 0 HG SER A 36 -6.811 -1.608 -9.986 1.00 0.00 H new ATOM 514 N THR A 37 -4.832 0.470 -7.877 1.00 0.00 N ATOM 515 CA THR A 37 -3.391 0.280 -7.818 1.00 0.00 C ATOM 516 C THR A 37 -2.944 0.072 -6.374 1.00 0.00 C ATOM 517 O THR A 37 -2.107 -0.786 -6.089 1.00 0.00 O ATOM 518 CB THR A 37 -2.638 1.484 -8.421 1.00 0.00 C ATOM 519 OG1 THR A 37 -3.063 1.694 -9.772 1.00 0.00 O ATOM 520 CG2 THR A 37 -1.131 1.266 -8.393 1.00 0.00 C ATOM 0 H THR A 37 -5.124 1.392 -8.200 1.00 0.00 H new ATOM 0 HA THR A 37 -3.151 -0.606 -8.407 1.00 0.00 H new ATOM 0 HB THR A 37 -2.869 2.362 -7.817 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.467 2.340 -10.206 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.630 2.132 -8.825 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.802 1.133 -7.363 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.881 0.377 -8.972 1.00 0.00 H new ATOM 528 N ALA A 38 -3.540 0.835 -5.462 1.00 0.00 N ATOM 529 CA ALA A 38 -3.183 0.766 -4.052 1.00 0.00 C ATOM 530 C ALA A 38 -3.456 -0.625 -3.486 1.00 0.00 C ATOM 531 O ALA A 38 -2.571 -1.253 -2.907 1.00 0.00 O ATOM 532 CB ALA A 38 -3.945 1.815 -3.259 1.00 0.00 C ATOM 0 H ALA A 38 -4.274 1.509 -5.677 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.115 0.966 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.666 1.750 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.700 2.807 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.016 1.642 -3.362 1.00 0.00 H new ATOM 538 N LYS A 39 -4.681 -1.112 -3.678 1.00 0.00 N ATOM 539 CA LYS A 39 -5.071 -2.440 -3.209 1.00 0.00 C ATOM 540 C LYS A 39 -4.225 -3.518 -3.873 1.00 0.00 C ATOM 541 O LYS A 39 -4.001 -4.595 -3.308 1.00 0.00 O ATOM 542 CB LYS A 39 -6.556 -2.693 -3.484 1.00 0.00 C ATOM 543 CG LYS A 39 -7.481 -1.859 -2.616 1.00 0.00 C ATOM 544 CD LYS A 39 -8.939 -2.040 -3.012 1.00 0.00 C ATOM 545 CE LYS A 39 -9.866 -1.348 -2.027 1.00 0.00 C ATOM 546 NZ LYS A 39 -11.284 -1.361 -2.476 1.00 0.00 N ATOM 0 H LYS A 39 -5.424 -0.603 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.902 -2.481 -2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.765 -2.481 -4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.773 -3.749 -3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.350 -2.139 -1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.209 -0.807 -2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.100 -1.636 -4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.178 -3.103 -3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.791 -1.838 -1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.541 -0.317 -1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.889 -0.969 -1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.381 -0.785 -3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.575 -2.339 -2.680 1.00 0.00 H new ATOM 560 N GLY A 40 -3.770 -3.232 -5.082 1.00 0.00 N ATOM 561 CA GLY A 40 -2.869 -4.130 -5.762 1.00 0.00 C ATOM 562 C GLY A 40 -1.531 -4.204 -5.061 1.00 0.00 C ATOM 563 O GLY A 40 -1.042 -5.293 -4.765 1.00 0.00 O ATOM 0 H GLY A 40 -4.011 -2.390 -5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.312 -5.125 -5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.725 -3.795 -6.789 1.00 0.00 H new ATOM 567 N ILE A 41 -0.959 -3.040 -4.772 1.00 0.00 N ATOM 568 CA ILE A 41 0.331 -2.953 -4.096 1.00 0.00 C ATOM 569 C ILE A 41 0.266 -3.581 -2.705 1.00 0.00 C ATOM 570 O ILE A 41 1.158 -4.335 -2.315 1.00 0.00 O ATOM 571 CB ILE A 41 0.802 -1.485 -3.983 1.00 0.00 C ATOM 572 CG1 ILE A 41 1.010 -0.886 -5.379 1.00 0.00 C ATOM 573 CG2 ILE A 41 2.078 -1.389 -3.159 1.00 0.00 C ATOM 574 CD1 ILE A 41 1.485 0.553 -5.367 1.00 0.00 C ATOM 0 H ILE A 41 -1.373 -2.136 -4.998 1.00 0.00 H new ATOM 0 HA ILE A 41 1.051 -3.507 -4.698 1.00 0.00 H new ATOM 0 HB ILE A 41 0.028 -0.912 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.736 -1.493 -5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.072 -0.944 -5.932 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.391 -0.347 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.894 -1.777 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.864 -1.974 -3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.608 0.904 -6.392 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.749 1.175 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.439 0.617 -4.844 1.00 0.00 H new ATOM 586 N LEU A 42 -0.806 -3.283 -1.974 1.00 0.00 N ATOM 587 CA LEU A 42 -1.002 -3.829 -0.630 1.00 0.00 C ATOM 588 C LEU A 42 -0.934 -5.354 -0.628 1.00 0.00 C ATOM 589 O LEU A 42 -0.248 -5.955 0.200 1.00 0.00 O ATOM 590 CB LEU A 42 -2.347 -3.374 -0.054 1.00 0.00 C ATOM 591 CG LEU A 42 -2.298 -2.136 0.851 1.00 0.00 C ATOM 592 CD1 LEU A 42 -1.715 -0.937 0.119 1.00 0.00 C ATOM 593 CD2 LEU A 42 -3.685 -1.811 1.383 1.00 0.00 C ATOM 0 H LEU A 42 -1.554 -2.666 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.194 -3.449 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.026 -3.169 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.776 -4.200 0.514 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.644 -2.364 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.694 -0.077 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.701 -1.168 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.331 -0.706 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.632 -0.930 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.358 -1.613 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.061 -2.656 1.959 1.00 0.00 H new ATOM 605 N LYS A 43 -1.641 -5.980 -1.559 1.00 0.00 N ATOM 606 CA LYS A 43 -1.658 -7.434 -1.636 1.00 0.00 C ATOM 607 C LYS A 43 -0.385 -7.970 -2.285 1.00 0.00 C ATOM 608 O LYS A 43 0.018 -9.102 -2.024 1.00 0.00 O ATOM 609 CB LYS A 43 -2.892 -7.925 -2.392 1.00 0.00 C ATOM 610 CG LYS A 43 -4.189 -7.732 -1.618 1.00 0.00 C ATOM 611 CD LYS A 43 -5.394 -8.295 -2.365 1.00 0.00 C ATOM 612 CE LYS A 43 -5.885 -7.357 -3.462 1.00 0.00 C ATOM 613 NZ LYS A 43 -4.860 -7.122 -4.513 1.00 0.00 N ATOM 0 H LYS A 43 -2.206 -5.509 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.703 -7.817 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.962 -7.396 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.770 -8.983 -2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.106 -8.219 -0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.344 -6.669 -1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.129 -9.257 -2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.203 -8.479 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.781 -7.777 -3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.171 -6.403 -3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.329 -6.992 -5.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.313 -6.269 -4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.221 -7.941 -4.563 1.00 0.00 H new ATOM 627 N TYR A 44 0.247 -7.154 -3.119 1.00 0.00 N ATOM 628 CA TYR A 44 1.506 -7.540 -3.746 1.00 0.00 C ATOM 629 C TYR A 44 2.582 -7.691 -2.677 1.00 0.00 C ATOM 630 O TYR A 44 3.295 -8.693 -2.637 1.00 0.00 O ATOM 631 CB TYR A 44 1.932 -6.501 -4.793 1.00 0.00 C ATOM 632 CG TYR A 44 3.096 -6.937 -5.663 1.00 0.00 C ATOM 633 CD1 TYR A 44 2.891 -7.732 -6.783 1.00 0.00 C ATOM 634 CD2 TYR A 44 4.396 -6.546 -5.369 1.00 0.00 C ATOM 635 CE1 TYR A 44 3.948 -8.126 -7.584 1.00 0.00 C ATOM 636 CE2 TYR A 44 5.458 -6.937 -6.165 1.00 0.00 C ATOM 637 CZ TYR A 44 5.229 -7.726 -7.271 1.00 0.00 C ATOM 638 OH TYR A 44 6.281 -8.119 -8.063 1.00 0.00 O ATOM 0 H TYR A 44 -0.089 -6.226 -3.376 1.00 0.00 H new ATOM 0 HA TYR A 44 1.370 -8.494 -4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.079 -6.276 -5.433 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.201 -5.576 -4.283 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.889 -8.048 -7.033 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.581 -5.926 -4.504 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.770 -8.745 -8.451 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.463 -6.625 -5.920 1.00 0.00 H new ATOM 0 HH TYR A 44 5.971 -8.235 -8.985 1.00 0.00 H new ATOM 648 N LEU A 45 2.672 -6.697 -1.799 1.00 0.00 N ATOM 649 CA LEU A 45 3.613 -6.736 -0.683 1.00 0.00 C ATOM 650 C LEU A 45 3.275 -7.892 0.251 1.00 0.00 C ATOM 651 O LEU A 45 4.165 -8.585 0.749 1.00 0.00 O ATOM 652 CB LEU A 45 3.577 -5.417 0.089 1.00 0.00 C ATOM 653 CG LEU A 45 3.959 -4.176 -0.719 1.00 0.00 C ATOM 654 CD1 LEU A 45 3.830 -2.926 0.137 1.00 0.00 C ATOM 655 CD2 LEU A 45 5.376 -4.303 -1.255 1.00 0.00 C ATOM 0 H LEU A 45 2.103 -5.851 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 45 4.617 -6.884 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.572 -5.276 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.250 -5.496 0.942 1.00 0.00 H new ATOM 0 HG LEU A 45 3.276 -4.093 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.105 -2.051 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.800 -2.824 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.492 -3.006 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.630 -3.411 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.072 -4.410 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.444 -5.179 -1.900 1.00 0.00 H new ATOM 667 N HIS A 46 1.977 -8.087 0.477 1.00 0.00 N ATOM 668 CA HIS A 46 1.474 -9.200 1.267 1.00 0.00 C ATOM 669 C HIS A 46 2.053 -10.524 0.790 1.00 0.00 C ATOM 670 O HIS A 46 2.643 -11.271 1.569 1.00 0.00 O ATOM 671 CB HIS A 46 -0.052 -9.241 1.173 1.00 0.00 C ATOM 672 CG HIS A 46 -0.673 -10.439 1.819 1.00 0.00 C ATOM 673 ND1 HIS A 46 -1.061 -11.565 1.123 1.00 0.00 N ATOM 674 CD2 HIS A 46 -0.983 -10.667 3.110 1.00 0.00 C ATOM 675 CE1 HIS A 46 -1.589 -12.435 1.965 1.00 0.00 C ATOM 676 NE2 HIS A 46 -1.552 -11.912 3.178 1.00 0.00 N ATOM 0 H HIS A 46 1.246 -7.474 0.115 1.00 0.00 H new ATOM 0 HA HIS A 46 1.780 -9.051 2.303 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.458 -8.341 1.635 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.341 -9.218 0.122 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -0.957 -11.704 0.118 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.814 -9.994 3.938 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.983 -13.407 1.707 1.00 0.00 H new ATOM 685 N ASP A 47 1.883 -10.800 -0.490 1.00 0.00 N ATOM 686 CA ASP A 47 2.302 -12.070 -1.062 1.00 0.00 C ATOM 687 C ASP A 47 3.817 -12.134 -1.234 1.00 0.00 C ATOM 688 O ASP A 47 4.382 -13.220 -1.362 1.00 0.00 O ATOM 689 CB ASP A 47 1.582 -12.323 -2.387 1.00 0.00 C ATOM 690 CG ASP A 47 0.142 -12.772 -2.185 1.00 0.00 C ATOM 691 OD1 ASP A 47 -0.616 -12.087 -1.455 1.00 0.00 O ATOM 692 OD2 ASP A 47 -0.234 -13.828 -2.736 1.00 0.00 O ATOM 0 H ASP A 47 1.455 -10.159 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 47 2.024 -12.861 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.596 -11.412 -2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.122 -13.083 -2.952 1.00 0.00 H new ATOM 697 N LEU A 48 4.473 -10.977 -1.229 1.00 0.00 N ATOM 698 CA LEU A 48 5.932 -10.935 -1.177 1.00 0.00 C ATOM 699 C LEU A 48 6.410 -11.423 0.183 1.00 0.00 C ATOM 700 O LEU A 48 7.515 -11.947 0.318 1.00 0.00 O ATOM 701 CB LEU A 48 6.460 -9.518 -1.424 1.00 0.00 C ATOM 702 CG LEU A 48 6.315 -8.997 -2.854 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.891 -7.597 -2.967 1.00 0.00 C ATOM 704 CD2 LEU A 48 6.997 -9.934 -3.841 1.00 0.00 C ATOM 0 H LEU A 48 4.022 -10.063 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 48 6.316 -11.585 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.940 -8.834 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.515 -9.491 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 48 5.254 -8.958 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.780 -7.240 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.359 -6.929 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.948 -7.616 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.881 -9.544 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.057 -10.008 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.541 -10.922 -3.779 1.00 0.00 H new ATOM 716 N GLY A 49 5.561 -11.249 1.191 1.00 0.00 N ATOM 717 CA GLY A 49 5.882 -11.712 2.522 1.00 0.00 C ATOM 718 C GLY A 49 5.920 -10.588 3.535 1.00 0.00 C ATOM 719 O GLY A 49 6.290 -10.804 4.691 1.00 0.00 O ATOM 0 H GLY A 49 4.653 -10.793 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.145 -12.452 2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.849 -12.214 2.505 1.00 0.00 H new ATOM 723 N VAL A 50 5.541 -9.391 3.114 1.00 0.00 N ATOM 724 CA VAL A 50 5.545 -8.237 4.004 1.00 0.00 C ATOM 725 C VAL A 50 4.178 -7.553 4.013 1.00 0.00 C ATOM 726 O VAL A 50 3.887 -6.716 3.158 1.00 0.00 O ATOM 727 CB VAL A 50 6.624 -7.202 3.609 1.00 0.00 C ATOM 728 CG1 VAL A 50 6.666 -6.057 4.614 1.00 0.00 C ATOM 729 CG2 VAL A 50 7.990 -7.858 3.493 1.00 0.00 C ATOM 0 H VAL A 50 5.227 -9.192 2.164 1.00 0.00 H new ATOM 0 HA VAL A 50 5.776 -8.613 5.001 1.00 0.00 H new ATOM 0 HB VAL A 50 6.358 -6.795 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.432 -5.340 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.696 -5.561 4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.901 -6.450 5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.731 -7.109 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.264 -8.300 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.956 -8.636 2.731 1.00 0.00 H new ATOM 739 N PRO A 51 3.309 -7.924 4.958 1.00 0.00 N ATOM 740 CA PRO A 51 2.006 -7.292 5.131 1.00 0.00 C ATOM 741 C PRO A 51 2.107 -5.990 5.920 1.00 0.00 C ATOM 742 O PRO A 51 2.574 -5.979 7.063 1.00 0.00 O ATOM 743 CB PRO A 51 1.191 -8.336 5.916 1.00 0.00 C ATOM 744 CG PRO A 51 2.104 -9.507 6.128 1.00 0.00 C ATOM 745 CD PRO A 51 3.503 -9.004 5.924 1.00 0.00 C ATOM 0 HA PRO A 51 1.554 -7.021 4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.852 -7.929 6.869 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.301 -8.632 5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.982 -9.916 7.131 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.875 -10.309 5.426 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.945 -8.644 6.853 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.162 -9.781 5.538 1.00 0.00 H new ATOM 753 N VAL A 52 1.681 -4.894 5.308 1.00 0.00 N ATOM 754 CA VAL A 52 1.708 -3.599 5.971 1.00 0.00 C ATOM 755 C VAL A 52 0.509 -3.458 6.908 1.00 0.00 C ATOM 756 O VAL A 52 -0.600 -3.877 6.579 1.00 0.00 O ATOM 757 CB VAL A 52 1.729 -2.440 4.946 1.00 0.00 C ATOM 758 CG1 VAL A 52 0.498 -2.471 4.053 1.00 0.00 C ATOM 759 CG2 VAL A 52 1.854 -1.092 5.648 1.00 0.00 C ATOM 0 H VAL A 52 1.314 -4.876 4.357 1.00 0.00 H new ATOM 0 HA VAL A 52 2.625 -3.542 6.557 1.00 0.00 H new ATOM 0 HB VAL A 52 2.605 -2.576 4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.542 -1.644 3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.467 -3.415 3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.398 -2.376 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.866 -0.295 4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.006 -0.951 6.318 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.779 -1.066 6.224 1.00 0.00 H new ATOM 769 N SER A 53 0.743 -2.898 8.083 1.00 0.00 N ATOM 770 CA SER A 53 -0.316 -2.715 9.059 1.00 0.00 C ATOM 771 C SER A 53 -1.029 -1.380 8.868 1.00 0.00 C ATOM 772 O SER A 53 -0.419 -0.392 8.449 1.00 0.00 O ATOM 773 CB SER A 53 0.263 -2.812 10.467 1.00 0.00 C ATOM 774 OG SER A 53 1.623 -2.413 10.482 1.00 0.00 O ATOM 0 H SER A 53 1.658 -2.562 8.384 1.00 0.00 H new ATOM 0 HA SER A 53 -1.054 -3.504 8.915 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.313 -2.182 11.146 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.176 -3.836 10.831 1.00 0.00 H new ATOM 0 HG SER A 53 1.974 -2.481 11.394 1.00 0.00 H new ATOM 780 N PRO A 54 -2.338 -1.347 9.172 1.00 0.00 N ATOM 781 CA PRO A 54 -3.160 -0.131 9.080 1.00 0.00 C ATOM 782 C PRO A 54 -2.555 1.040 9.851 1.00 0.00 C ATOM 783 O PRO A 54 -2.647 2.191 9.424 1.00 0.00 O ATOM 784 CB PRO A 54 -4.487 -0.553 9.713 1.00 0.00 C ATOM 785 CG PRO A 54 -4.540 -2.031 9.554 1.00 0.00 C ATOM 786 CD PRO A 54 -3.121 -2.512 9.622 1.00 0.00 C ATOM 0 HA PRO A 54 -3.252 0.221 8.052 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.531 -0.268 10.764 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.331 -0.073 9.217 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.143 -2.485 10.340 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.998 -2.304 8.603 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.848 -2.812 10.634 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.959 -3.377 8.978 1.00 0.00 H new ATOM 794 N GLU A 55 -1.937 0.721 10.986 1.00 0.00 N ATOM 795 CA GLU A 55 -1.271 1.707 11.837 1.00 0.00 C ATOM 796 C GLU A 55 -0.325 2.589 11.028 1.00 0.00 C ATOM 797 O GLU A 55 -0.343 3.818 11.141 1.00 0.00 O ATOM 798 CB GLU A 55 -0.476 0.979 12.921 1.00 0.00 C ATOM 799 CG GLU A 55 0.212 1.897 13.918 1.00 0.00 C ATOM 800 CD GLU A 55 1.054 1.130 14.913 1.00 0.00 C ATOM 801 OE1 GLU A 55 2.220 0.807 14.594 1.00 0.00 O ATOM 802 OE2 GLU A 55 0.554 0.828 16.015 1.00 0.00 O ATOM 0 H GLU A 55 -1.883 -0.233 11.344 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.033 2.344 12.286 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.148 0.313 13.462 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.277 0.352 12.443 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.842 2.606 13.382 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.539 2.479 14.452 1.00 0.00 H new ATOM 809 N VAL A 56 0.483 1.943 10.197 1.00 0.00 N ATOM 810 CA VAL A 56 1.489 2.634 9.407 1.00 0.00 C ATOM 811 C VAL A 56 0.833 3.626 8.451 1.00 0.00 C ATOM 812 O VAL A 56 1.306 4.754 8.287 1.00 0.00 O ATOM 813 CB VAL A 56 2.347 1.631 8.608 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.446 2.347 7.841 1.00 0.00 C ATOM 815 CG2 VAL A 56 2.939 0.582 9.536 1.00 0.00 C ATOM 0 H VAL A 56 0.459 0.933 10.053 1.00 0.00 H new ATOM 0 HA VAL A 56 2.136 3.178 10.095 1.00 0.00 H new ATOM 0 HB VAL A 56 1.702 1.131 7.885 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.037 1.618 7.286 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.000 3.058 7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.091 2.879 8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.541 -0.118 8.957 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.566 1.069 10.283 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.134 0.042 10.035 1.00 0.00 H new ATOM 825 N VAL A 57 -0.274 3.207 7.852 1.00 0.00 N ATOM 826 CA VAL A 57 -1.017 4.056 6.929 1.00 0.00 C ATOM 827 C VAL A 57 -1.569 5.279 7.656 1.00 0.00 C ATOM 828 O VAL A 57 -1.443 6.408 7.177 1.00 0.00 O ATOM 829 CB VAL A 57 -2.184 3.285 6.272 1.00 0.00 C ATOM 830 CG1 VAL A 57 -2.926 4.171 5.284 1.00 0.00 C ATOM 831 CG2 VAL A 57 -1.677 2.024 5.587 1.00 0.00 C ATOM 0 H VAL A 57 -0.679 2.281 7.989 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.325 4.375 6.149 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.882 2.991 7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.743 3.608 4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.328 5.040 5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.239 4.501 4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.514 1.496 5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.955 2.294 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.198 1.378 6.323 1.00 0.00 H new ATOM 841 N VAL A 58 -2.158 5.045 8.823 1.00 0.00 N ATOM 842 CA VAL A 58 -2.741 6.119 9.618 1.00 0.00 C ATOM 843 C VAL A 58 -1.687 7.157 9.999 1.00 0.00 C ATOM 844 O VAL A 58 -1.893 8.356 9.817 1.00 0.00 O ATOM 845 CB VAL A 58 -3.411 5.579 10.902 1.00 0.00 C ATOM 846 CG1 VAL A 58 -4.002 6.716 11.720 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.487 4.558 10.563 1.00 0.00 C ATOM 0 H VAL A 58 -2.244 4.118 9.240 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.503 6.591 8.997 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.644 5.085 11.499 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.468 6.313 12.619 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.211 7.411 12.002 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.751 7.240 11.126 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.944 4.192 11.482 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.249 5.026 9.940 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.039 3.723 10.023 1.00 0.00 H new ATOM 857 N ALA A 59 -0.552 6.687 10.502 1.00 0.00 N ATOM 858 CA ALA A 59 0.515 7.577 10.946 1.00 0.00 C ATOM 859 C ALA A 59 1.120 8.349 9.777 1.00 0.00 C ATOM 860 O ALA A 59 1.369 9.549 9.880 1.00 0.00 O ATOM 861 CB ALA A 59 1.594 6.787 11.678 1.00 0.00 C ATOM 0 H ALA A 59 -0.346 5.694 10.613 1.00 0.00 H new ATOM 0 HA ALA A 59 0.081 8.302 11.634 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.383 7.465 12.003 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.158 6.294 12.547 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.013 6.037 11.008 1.00 0.00 H new ATOM 867 N ARG A 60 1.347 7.666 8.662 1.00 0.00 N ATOM 868 CA ARG A 60 1.921 8.313 7.490 1.00 0.00 C ATOM 869 C ARG A 60 0.935 9.319 6.897 1.00 0.00 C ATOM 870 O ARG A 60 1.325 10.415 6.498 1.00 0.00 O ATOM 871 CB ARG A 60 2.340 7.269 6.449 1.00 0.00 C ATOM 872 CG ARG A 60 2.896 7.859 5.158 1.00 0.00 C ATOM 873 CD ARG A 60 4.070 8.803 5.402 1.00 0.00 C ATOM 874 NE ARG A 60 5.238 8.130 5.979 1.00 0.00 N ATOM 875 CZ ARG A 60 6.377 7.906 5.310 1.00 0.00 C ATOM 876 NH1 ARG A 60 6.484 8.252 4.034 1.00 0.00 N ATOM 877 NH2 ARG A 60 7.413 7.344 5.918 1.00 0.00 N ATOM 0 H ARG A 60 1.144 6.673 8.545 1.00 0.00 H new ATOM 0 HA ARG A 60 2.814 8.858 7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.093 6.615 6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.478 6.646 6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.216 7.050 4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.104 8.397 4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.356 9.269 4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.752 9.603 6.070 1.00 0.00 H new ATOM 0 HE ARG A 60 5.180 7.814 6.947 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.697 8.691 3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.354 8.079 3.530 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.346 7.079 6.901 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.277 7.176 5.403 1.00 0.00 H new ATOM 891 N GLY A 61 -0.344 8.955 6.861 1.00 0.00 N ATOM 892 CA GLY A 61 -1.365 9.871 6.384 1.00 0.00 C ATOM 893 C GLY A 61 -1.494 11.077 7.289 1.00 0.00 C ATOM 894 O GLY A 61 -1.707 12.199 6.825 1.00 0.00 O ATOM 0 H GLY A 61 -0.691 8.042 7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.119 10.198 5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.322 9.353 6.327 1.00 0.00 H new ATOM 898 N GLU A 62 -1.349 10.829 8.584 1.00 0.00 N ATOM 899 CA GLU A 62 -1.356 11.877 9.597 1.00 0.00 C ATOM 900 C GLU A 62 -0.186 12.838 9.384 1.00 0.00 C ATOM 901 O GLU A 62 -0.315 14.050 9.563 1.00 0.00 O ATOM 902 CB GLU A 62 -1.273 11.223 10.983 1.00 0.00 C ATOM 903 CG GLU A 62 -1.262 12.192 12.150 1.00 0.00 C ATOM 904 CD GLU A 62 -1.185 11.477 13.483 1.00 0.00 C ATOM 905 OE1 GLU A 62 -0.083 11.035 13.866 1.00 0.00 O ATOM 906 OE2 GLU A 62 -2.228 11.351 14.157 1.00 0.00 O ATOM 0 H GLU A 62 -1.223 9.891 8.963 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.277 12.454 9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.120 10.546 11.100 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.370 10.614 11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.412 12.868 12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.162 12.806 12.120 1.00 0.00 H new ATOM 913 N GLN A 63 0.947 12.279 8.983 1.00 0.00 N ATOM 914 CA GLN A 63 2.168 13.049 8.778 1.00 0.00 C ATOM 915 C GLN A 63 2.084 13.904 7.517 1.00 0.00 C ATOM 916 O GLN A 63 2.462 15.075 7.518 1.00 0.00 O ATOM 917 CB GLN A 63 3.362 12.098 8.666 1.00 0.00 C ATOM 918 CG GLN A 63 4.700 12.806 8.529 1.00 0.00 C ATOM 919 CD GLN A 63 5.811 11.860 8.131 1.00 0.00 C ATOM 920 OE1 GLN A 63 6.453 11.243 8.978 1.00 0.00 O ATOM 921 NE2 GLN A 63 6.049 11.738 6.835 1.00 0.00 N ATOM 0 H GLN A 63 1.047 11.282 8.791 1.00 0.00 H new ATOM 0 HA GLN A 63 2.295 13.713 9.633 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.389 11.458 9.548 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.216 11.447 7.804 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.615 13.597 7.784 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.954 13.284 9.475 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.494 12.267 6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.787 11.115 6.509 1.00 0.00 H new ATOM 930 N GLU A 64 1.598 13.310 6.441 1.00 0.00 N ATOM 931 CA GLU A 64 1.586 13.969 5.144 1.00 0.00 C ATOM 932 C GLU A 64 0.396 14.910 5.019 1.00 0.00 C ATOM 933 O GLU A 64 0.464 15.926 4.327 1.00 0.00 O ATOM 934 CB GLU A 64 1.548 12.922 4.033 1.00 0.00 C ATOM 935 CG GLU A 64 2.696 11.926 4.089 1.00 0.00 C ATOM 936 CD GLU A 64 4.043 12.561 3.817 1.00 0.00 C ATOM 937 OE1 GLU A 64 4.455 12.604 2.638 1.00 0.00 O ATOM 938 OE2 GLU A 64 4.702 13.005 4.781 1.00 0.00 O ATOM 0 H GLU A 64 1.205 12.369 6.439 1.00 0.00 H new ATOM 0 HA GLU A 64 2.496 14.562 5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.605 12.379 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.566 13.429 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.714 11.456 5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.519 11.135 3.360 1.00 0.00 H new ATOM 945 N GLY A 65 -0.688 14.577 5.696 1.00 0.00 N ATOM 946 CA GLY A 65 -1.873 15.398 5.625 1.00 0.00 C ATOM 947 C GLY A 65 -2.778 14.991 4.486 1.00 0.00 C ATOM 948 O GLY A 65 -3.081 15.795 3.602 1.00 0.00 O ATOM 0 H GLY A 65 -0.768 13.754 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.420 15.327 6.565 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.584 16.442 5.503 1.00 0.00 H new ATOM 952 N TRP A 66 -3.190 13.734 4.492 1.00 0.00 N ATOM 953 CA TRP A 66 -4.100 13.227 3.476 1.00 0.00 C ATOM 954 C TRP A 66 -5.539 13.546 3.857 1.00 0.00 C ATOM 955 O TRP A 66 -5.812 13.962 4.985 1.00 0.00 O ATOM 956 CB TRP A 66 -3.978 11.709 3.331 1.00 0.00 C ATOM 957 CG TRP A 66 -2.622 11.201 2.943 1.00 0.00 C ATOM 958 CD1 TRP A 66 -1.551 11.921 2.496 1.00 0.00 C ATOM 959 CD2 TRP A 66 -2.206 9.834 2.971 1.00 0.00 C ATOM 960 NE1 TRP A 66 -0.497 11.079 2.237 1.00 0.00 N ATOM 961 CE2 TRP A 66 -0.875 9.794 2.525 1.00 0.00 C ATOM 962 CE3 TRP A 66 -2.837 8.636 3.328 1.00 0.00 C ATOM 963 CZ2 TRP A 66 -0.161 8.606 2.433 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -2.126 7.456 3.237 1.00 0.00 C ATOM 965 CH2 TRP A 66 -0.800 7.449 2.790 1.00 0.00 C ATOM 0 H TRP A 66 -2.909 13.045 5.189 1.00 0.00 H new ATOM 0 HA TRP A 66 -3.835 13.706 2.534 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -4.262 11.248 4.277 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.699 11.374 2.585 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -1.535 12.993 2.366 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.418 11.364 1.887 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.862 8.635 3.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.864 8.595 2.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -2.600 6.526 3.515 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.269 6.511 2.725 1.00 0.00 H new ATOM 976 N ASN A 67 -6.451 13.354 2.912 1.00 0.00 N ATOM 977 CA ASN A 67 -7.875 13.367 3.220 1.00 0.00 C ATOM 978 C ASN A 67 -8.184 12.240 4.199 1.00 0.00 C ATOM 979 O ASN A 67 -7.896 11.073 3.919 1.00 0.00 O ATOM 980 CB ASN A 67 -8.717 13.204 1.946 1.00 0.00 C ATOM 981 CG ASN A 67 -8.791 14.476 1.119 1.00 0.00 C ATOM 982 OD1 ASN A 67 -7.892 15.315 1.161 1.00 0.00 O ATOM 983 ND2 ASN A 67 -9.864 14.631 0.356 1.00 0.00 N ATOM 0 H ASN A 67 -6.231 13.188 1.930 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.130 14.327 3.668 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.294 12.405 1.337 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.726 12.896 2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.963 15.466 -0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.590 13.915 0.346 1.00 0.00 H new ATOM 990 N PRO A 68 -8.775 12.576 5.358 1.00 0.00 N ATOM 991 CA PRO A 68 -9.010 11.625 6.455 1.00 0.00 C ATOM 992 C PRO A 68 -9.727 10.347 6.021 1.00 0.00 C ATOM 993 O PRO A 68 -9.458 9.269 6.553 1.00 0.00 O ATOM 994 CB PRO A 68 -9.884 12.407 7.446 1.00 0.00 C ATOM 995 CG PRO A 68 -10.320 13.638 6.720 1.00 0.00 C ATOM 996 CD PRO A 68 -9.253 13.921 5.705 1.00 0.00 C ATOM 0 HA PRO A 68 -8.063 11.280 6.870 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.743 11.815 7.762 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.324 12.661 8.346 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.286 13.485 6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.436 14.476 7.408 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.649 14.447 4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.456 14.541 6.117 1.00 0.00 H new ATOM 1004 N GLU A 69 -10.631 10.469 5.049 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.392 9.323 4.559 1.00 0.00 C ATOM 1006 C GLU A 69 -10.465 8.314 3.897 1.00 0.00 C ATOM 1007 O GLU A 69 -10.605 7.108 4.083 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.442 9.777 3.546 1.00 0.00 C ATOM 1009 CG GLU A 69 -13.306 10.928 4.027 1.00 0.00 C ATOM 1010 CD GLU A 69 -14.217 11.455 2.940 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -15.317 10.896 2.756 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -13.836 12.428 2.259 1.00 0.00 O ATOM 0 H GLU A 69 -10.853 11.350 4.586 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.887 8.855 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.940 10.073 2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.085 8.932 3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.908 10.599 4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.666 11.735 4.385 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.504 8.825 3.141 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.586 7.983 2.387 1.00 0.00 C ATOM 1021 C PHE A 70 -7.737 7.154 3.336 1.00 0.00 C ATOM 1022 O PHE A 70 -7.660 5.935 3.206 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.696 8.850 1.493 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.799 8.069 0.576 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -7.316 7.406 -0.525 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.437 8.002 0.814 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -6.491 6.693 -1.373 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -4.607 7.292 -0.031 1.00 0.00 C ATOM 1029 CZ PHE A 70 -5.135 6.635 -1.126 1.00 0.00 C ATOM 0 H PHE A 70 -9.339 9.826 3.033 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.162 7.306 1.756 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.329 9.504 0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.082 9.492 2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.377 7.447 -0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.019 8.511 1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.907 6.182 -2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.546 7.250 0.164 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.488 6.078 -1.787 1.00 0.00 H new ATOM 1039 N THR A 71 -7.130 7.825 4.303 1.00 0.00 N ATOM 1040 CA THR A 71 -6.289 7.169 5.287 1.00 0.00 C ATOM 1041 C THR A 71 -7.066 6.080 6.032 1.00 0.00 C ATOM 1042 O THR A 71 -6.554 4.984 6.266 1.00 0.00 O ATOM 1043 CB THR A 71 -5.747 8.198 6.293 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.177 9.304 5.583 1.00 0.00 O ATOM 1045 CG2 THR A 71 -4.696 7.579 7.198 1.00 0.00 C ATOM 0 H THR A 71 -7.207 8.835 4.426 1.00 0.00 H new ATOM 0 HA THR A 71 -5.455 6.703 4.762 1.00 0.00 H new ATOM 0 HB THR A 71 -6.575 8.540 6.915 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.833 9.961 6.223 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.331 8.330 7.899 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.136 6.749 7.752 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.866 7.213 6.594 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.313 6.383 6.371 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.157 5.441 7.091 1.00 0.00 C ATOM 1055 C LYS A 72 -9.538 4.257 6.207 1.00 0.00 C ATOM 1056 O LYS A 72 -9.553 3.109 6.660 1.00 0.00 O ATOM 1057 CB LYS A 72 -10.414 6.144 7.608 1.00 0.00 C ATOM 1058 CG LYS A 72 -11.310 5.249 8.442 1.00 0.00 C ATOM 1059 CD LYS A 72 -12.459 6.028 9.058 1.00 0.00 C ATOM 1060 CE LYS A 72 -13.313 5.142 9.944 1.00 0.00 C ATOM 1061 NZ LYS A 72 -14.329 5.922 10.695 1.00 0.00 N ATOM 0 H LYS A 72 -8.761 7.274 6.158 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.590 5.059 7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.118 7.006 8.206 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.983 6.524 6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.706 4.447 7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.723 4.779 9.231 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.065 6.859 9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.075 6.458 8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.812 4.391 9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.674 4.608 10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.891 5.279 11.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.853 6.622 11.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.956 6.412 10.025 1.00 0.00 H new ATOM 1075 N LYS A 73 -9.843 4.538 4.944 1.00 0.00 N ATOM 1076 CA LYS A 73 -10.200 3.496 4.000 1.00 0.00 C ATOM 1077 C LYS A 73 -9.029 2.557 3.753 1.00 0.00 C ATOM 1078 O LYS A 73 -9.179 1.343 3.852 1.00 0.00 O ATOM 1079 CB LYS A 73 -10.678 4.097 2.678 1.00 0.00 C ATOM 1080 CG LYS A 73 -12.077 4.693 2.737 1.00 0.00 C ATOM 1081 CD LYS A 73 -12.523 5.171 1.363 1.00 0.00 C ATOM 1082 CE LYS A 73 -13.884 5.851 1.407 1.00 0.00 C ATOM 1083 NZ LYS A 73 -14.974 4.918 1.795 1.00 0.00 N ATOM 0 H LYS A 73 -9.849 5.481 4.555 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.017 2.922 4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.977 4.872 2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.656 3.323 1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.778 3.948 3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.092 5.527 3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.784 5.866 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.564 4.322 0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.850 6.679 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.106 6.277 0.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.890 5.407 1.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.972 4.097 1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.824 4.596 2.772 1.00 0.00 H new ATOM 1097 N VAL A 74 -7.861 3.118 3.450 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.683 2.305 3.163 1.00 0.00 C ATOM 1099 C VAL A 74 -6.326 1.432 4.364 1.00 0.00 C ATOM 1100 O VAL A 74 -5.963 0.265 4.209 1.00 0.00 O ATOM 1101 CB VAL A 74 -5.458 3.164 2.777 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -4.266 2.279 2.431 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -5.784 4.092 1.617 1.00 0.00 C ATOM 0 H VAL A 74 -7.706 4.125 3.397 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.938 1.676 2.310 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.196 3.777 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.415 2.904 2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.007 1.664 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.523 1.635 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.904 4.684 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.082 3.501 0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.600 4.757 1.901 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.442 2.002 5.560 1.00 0.00 N ATOM 1114 CA ALA A 75 -6.197 1.259 6.785 1.00 0.00 C ATOM 1115 C ALA A 75 -7.144 0.067 6.891 1.00 0.00 C ATOM 1116 O ALA A 75 -6.745 -1.027 7.290 1.00 0.00 O ATOM 1117 CB ALA A 75 -6.352 2.173 7.990 1.00 0.00 C ATOM 0 H ALA A 75 -6.705 2.977 5.703 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.176 0.879 6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.166 1.607 8.903 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.637 2.992 7.920 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.364 2.576 8.013 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.396 0.286 6.502 1.00 0.00 N ATOM 1124 CA GLY A 76 -9.384 -0.776 6.535 1.00 0.00 C ATOM 1125 C GLY A 76 -9.075 -1.872 5.537 1.00 0.00 C ATOM 1126 O GLY A 76 -9.336 -3.048 5.793 1.00 0.00 O ATOM 0 H GLY A 76 -8.744 1.183 6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.426 -1.201 7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.369 -0.361 6.323 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.521 -1.488 4.392 1.00 0.00 N ATOM 1131 CA TRP A 77 -8.122 -2.454 3.374 1.00 0.00 C ATOM 1132 C TRP A 77 -6.964 -3.291 3.891 1.00 0.00 C ATOM 1133 O TRP A 77 -6.981 -4.518 3.801 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.702 -1.750 2.078 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.724 -0.795 1.550 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -10.070 -0.836 1.758 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -8.481 0.343 0.714 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -10.678 0.212 1.118 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -9.725 0.950 0.468 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -7.333 0.913 0.156 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -9.853 2.093 -0.316 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -7.463 2.044 -0.623 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -8.714 2.629 -0.848 1.00 0.00 C ATOM 0 H TRP A 77 -8.338 -0.515 4.145 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.977 -3.094 3.158 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.771 -1.211 2.254 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.495 -2.503 1.317 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.583 -1.586 2.342 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -11.679 0.410 1.125 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.361 0.476 0.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -10.819 2.541 -0.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.583 2.486 -1.067 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.781 3.521 -1.453 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.971 -2.607 4.450 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.789 -3.260 4.996 1.00 0.00 C ATOM 1156 C ALA A 78 -5.165 -4.223 6.113 1.00 0.00 C ATOM 1157 O ALA A 78 -4.602 -5.313 6.215 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.798 -2.222 5.499 1.00 0.00 C ATOM 0 H ALA A 78 -5.963 -1.591 4.537 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.319 -3.836 4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.920 -2.724 5.904 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.498 -1.576 4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.265 -1.621 6.280 1.00 0.00 H new ATOM 1164 N GLU A 79 -6.119 -3.816 6.943 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.602 -4.657 8.034 1.00 0.00 C ATOM 1166 C GLU A 79 -7.156 -5.971 7.488 1.00 0.00 C ATOM 1167 O GLU A 79 -6.866 -7.049 8.010 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.688 -3.927 8.824 1.00 0.00 C ATOM 1169 CG GLU A 79 -8.135 -4.665 10.075 1.00 0.00 C ATOM 1170 CD GLU A 79 -7.079 -4.664 11.164 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -6.163 -5.509 11.113 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -7.171 -3.819 12.081 1.00 0.00 O ATOM 0 H GLU A 79 -6.575 -2.906 6.881 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.765 -4.875 8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.318 -2.941 9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.551 -3.770 8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.046 -4.205 10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.383 -5.694 9.816 1.00 0.00 H new ATOM 1179 N LYS A 80 -7.941 -5.873 6.422 1.00 0.00 N ATOM 1180 CA LYS A 80 -8.517 -7.050 5.791 1.00 0.00 C ATOM 1181 C LYS A 80 -7.423 -7.934 5.203 1.00 0.00 C ATOM 1182 O LYS A 80 -7.419 -9.147 5.406 1.00 0.00 O ATOM 1183 CB LYS A 80 -9.507 -6.642 4.698 1.00 0.00 C ATOM 1184 CG LYS A 80 -10.714 -5.883 5.221 1.00 0.00 C ATOM 1185 CD LYS A 80 -11.586 -5.373 4.086 1.00 0.00 C ATOM 1186 CE LYS A 80 -12.804 -4.626 4.602 1.00 0.00 C ATOM 1187 NZ LYS A 80 -12.438 -3.444 5.430 1.00 0.00 N ATOM 0 H LYS A 80 -8.192 -4.990 5.978 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.051 -7.618 6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.990 -6.024 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.849 -7.536 4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.302 -6.534 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.381 -5.043 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.000 -4.714 3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.908 -6.212 3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.411 -4.300 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.419 -5.304 5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.697 -3.621 6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.413 -3.278 5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.948 -2.606 5.084 1.00 0.00 H new ATOM 1201 N VAL A 81 -6.481 -7.317 4.502 1.00 0.00 N ATOM 1202 CA VAL A 81 -5.390 -8.050 3.870 1.00 0.00 C ATOM 1203 C VAL A 81 -4.510 -8.739 4.919 1.00 0.00 C ATOM 1204 O VAL A 81 -4.092 -9.884 4.736 1.00 0.00 O ATOM 1205 CB VAL A 81 -4.518 -7.118 2.996 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -3.373 -7.889 2.356 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -5.363 -6.441 1.927 1.00 0.00 C ATOM 0 H VAL A 81 -6.450 -6.308 4.356 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.841 -8.809 3.230 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.094 -6.349 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.774 -7.212 1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.748 -8.325 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.776 -8.683 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.732 -5.790 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.818 -7.199 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.145 -5.849 2.402 1.00 0.00 H new ATOM 1217 N ALA A 82 -4.247 -8.043 6.021 1.00 0.00 N ATOM 1218 CA ALA A 82 -3.393 -8.573 7.080 1.00 0.00 C ATOM 1219 C ALA A 82 -4.051 -9.745 7.799 1.00 0.00 C ATOM 1220 O ALA A 82 -3.396 -10.742 8.110 1.00 0.00 O ATOM 1221 CB ALA A 82 -3.043 -7.479 8.078 1.00 0.00 C ATOM 0 H ALA A 82 -4.614 -7.109 6.204 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.478 -8.937 6.612 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.406 -7.891 8.861 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.515 -6.675 7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.957 -7.087 8.523 1.00 0.00 H new ATOM 1227 N SER A 83 -5.348 -9.626 8.054 1.00 0.00 N ATOM 1228 CA SER A 83 -6.088 -10.669 8.755 1.00 0.00 C ATOM 1229 C SER A 83 -6.352 -11.865 7.843 1.00 0.00 C ATOM 1230 O SER A 83 -6.690 -12.953 8.310 1.00 0.00 O ATOM 1231 CB SER A 83 -7.403 -10.109 9.302 1.00 0.00 C ATOM 1232 OG SER A 83 -8.132 -9.427 8.293 1.00 0.00 O ATOM 0 H SER A 83 -5.910 -8.818 7.786 1.00 0.00 H new ATOM 0 HA SER A 83 -5.479 -11.015 9.591 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.008 -10.922 9.704 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.195 -9.428 10.127 1.00 0.00 H new ATOM 0 HG SER A 83 -7.800 -8.508 8.214 1.00 0.00 H new ATOM 1238 N GLY A 84 -6.203 -11.656 6.540 1.00 0.00 N ATOM 1239 CA GLY A 84 -6.362 -12.740 5.595 1.00 0.00 C ATOM 1240 C GLY A 84 -7.749 -12.782 4.988 1.00 0.00 C ATOM 1241 O GLY A 84 -8.268 -13.860 4.686 1.00 0.00 O ATOM 0 H GLY A 84 -5.975 -10.754 6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.624 -12.635 4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.159 -13.687 6.096 1.00 0.00 H new ATOM 1245 N ASN A 85 -8.354 -11.617 4.810 1.00 0.00 N ATOM 1246 CA ASN A 85 -9.670 -11.522 4.196 1.00 0.00 C ATOM 1247 C ASN A 85 -9.561 -10.890 2.816 1.00 0.00 C ATOM 1248 O ASN A 85 -8.548 -10.272 2.485 1.00 0.00 O ATOM 1249 CB ASN A 85 -10.629 -10.694 5.058 1.00 0.00 C ATOM 1250 CG ASN A 85 -11.025 -11.393 6.346 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -12.002 -12.143 6.377 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -10.290 -11.143 7.423 1.00 0.00 N ATOM 0 H ASN A 85 -7.952 -10.720 5.084 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.068 -12.533 4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.160 -9.740 5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.527 -10.472 4.481 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.527 -11.578 8.315 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.488 -10.516 7.359 1.00 0.00 H new ATOM 1259 N ARG A 86 -10.609 -11.040 2.023 1.00 0.00 N ATOM 1260 CA ARG A 86 -10.638 -10.481 0.683 1.00 0.00 C ATOM 1261 C ARG A 86 -11.195 -9.061 0.708 1.00 0.00 C ATOM 1262 O ARG A 86 -11.922 -8.685 1.631 1.00 0.00 O ATOM 1263 CB ARG A 86 -11.486 -11.364 -0.239 1.00 0.00 C ATOM 1264 CG ARG A 86 -12.911 -11.568 0.256 1.00 0.00 C ATOM 1265 CD ARG A 86 -13.697 -12.501 -0.655 1.00 0.00 C ATOM 1266 NE ARG A 86 -13.111 -13.836 -0.716 1.00 0.00 N ATOM 1267 CZ ARG A 86 -13.773 -14.929 -1.092 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -15.048 -14.854 -1.458 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -13.145 -16.097 -1.114 1.00 0.00 N ATOM 0 H ARG A 86 -11.454 -11.547 2.286 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.618 -10.447 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.516 -10.915 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.003 -12.336 -0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.890 -11.978 1.266 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.417 -10.604 0.314 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.725 -12.573 -0.299 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.737 -12.077 -1.659 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.131 -13.939 -0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.528 -13.954 -1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.547 -15.696 -1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.163 -16.153 -0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.644 -16.939 -1.401 1.00 0.00 H new ATOM 1283 N ILE A 87 -10.847 -8.278 -0.301 1.00 0.00 N ATOM 1284 CA ILE A 87 -11.309 -6.901 -0.399 1.00 0.00 C ATOM 1285 C ILE A 87 -12.024 -6.670 -1.724 1.00 0.00 C ATOM 1286 O ILE A 87 -11.688 -7.289 -2.736 1.00 0.00 O ATOM 1287 CB ILE A 87 -10.141 -5.900 -0.267 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -9.043 -6.212 -1.291 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -9.580 -5.922 1.148 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -7.860 -5.273 -1.221 1.00 0.00 C ATOM 0 H ILE A 87 -10.243 -8.574 -1.068 1.00 0.00 H new ATOM 0 HA ILE A 87 -12.003 -6.733 0.424 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.520 -4.899 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.694 -7.233 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.470 -6.169 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.757 -5.211 1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.364 -5.648 1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.217 -6.923 1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.125 -5.556 -1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.194 -4.252 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.406 -5.333 -0.232 1.00 0.00 H new ATOM 1302 N LEU A 88 -13.013 -5.791 -1.709 1.00 0.00 N ATOM 1303 CA LEU A 88 -13.750 -5.443 -2.914 1.00 0.00 C ATOM 1304 C LEU A 88 -12.852 -4.611 -3.828 1.00 0.00 C ATOM 1305 O LEU A 88 -12.212 -3.659 -3.383 1.00 0.00 O ATOM 1306 CB LEU A 88 -15.028 -4.671 -2.537 1.00 0.00 C ATOM 1307 CG LEU A 88 -16.097 -4.542 -3.635 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -17.436 -4.166 -3.019 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -15.704 -3.501 -4.671 1.00 0.00 C ATOM 0 H LEU A 88 -13.326 -5.302 -0.870 1.00 0.00 H new ATOM 0 HA LEU A 88 -14.046 -6.347 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -15.481 -5.160 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.741 -3.668 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.181 -5.508 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -18.186 -4.077 -3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -17.741 -4.938 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -17.342 -3.213 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -16.481 -3.435 -5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.587 -2.532 -4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.762 -3.789 -5.137 1.00 0.00 H new ATOM 1321 N ILE A 89 -12.799 -4.976 -5.099 1.00 0.00 N ATOM 1322 CA ILE A 89 -11.939 -4.292 -6.047 1.00 0.00 C ATOM 1323 C ILE A 89 -12.667 -4.115 -7.382 1.00 0.00 C ATOM 1324 O ILE A 89 -13.681 -4.768 -7.631 1.00 0.00 O ATOM 1325 CB ILE A 89 -10.619 -5.076 -6.250 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -9.559 -4.200 -6.925 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -10.862 -6.339 -7.067 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -8.217 -4.882 -7.068 1.00 0.00 C ATOM 0 H ILE A 89 -13.342 -5.742 -5.497 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.693 -3.308 -5.648 1.00 0.00 H new ATOM 0 HB ILE A 89 -10.247 -5.366 -5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.916 -3.907 -7.912 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.433 -3.285 -6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.922 -6.874 -7.198 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.574 -6.978 -6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.264 -6.069 -8.043 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.515 -4.205 -7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.839 -5.151 -6.082 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.329 -5.783 -7.672 1.00 0.00 H new ATOM 1340 N LYS A 90 -12.163 -3.216 -8.218 1.00 0.00 N ATOM 1341 CA LYS A 90 -12.756 -2.964 -9.528 1.00 0.00 C ATOM 1342 C LYS A 90 -12.402 -4.080 -10.504 1.00 0.00 C ATOM 1343 O LYS A 90 -13.279 -4.677 -11.127 1.00 0.00 O ATOM 1344 CB LYS A 90 -12.285 -1.611 -10.077 1.00 0.00 C ATOM 1345 CG LYS A 90 -13.091 -0.418 -9.580 1.00 0.00 C ATOM 1346 CD LYS A 90 -13.015 -0.249 -8.068 1.00 0.00 C ATOM 1347 CE LYS A 90 -13.860 0.924 -7.601 1.00 0.00 C ATOM 1348 NZ LYS A 90 -15.295 0.751 -7.953 1.00 0.00 N ATOM 0 H LYS A 90 -11.342 -2.647 -8.012 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.840 -2.938 -9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.239 -1.466 -9.806 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.331 -1.638 -11.166 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.726 0.489 -10.062 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.133 -0.539 -9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.355 -1.162 -7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.978 -0.095 -7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.762 1.034 -6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.485 1.843 -8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -15.871 1.415 -7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.429 0.941 -8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.589 -0.224 -7.742 1.00 0.00 H new ATOM 1362 N ASN A 91 -11.108 -4.356 -10.625 1.00 0.00 N ATOM 1363 CA ASN A 91 -10.623 -5.431 -11.480 1.00 0.00 C ATOM 1364 C ASN A 91 -9.533 -6.210 -10.756 1.00 0.00 C ATOM 1365 O ASN A 91 -8.700 -5.626 -10.063 1.00 0.00 O ATOM 1366 CB ASN A 91 -10.093 -4.878 -12.807 1.00 0.00 C ATOM 1367 CG ASN A 91 -8.911 -3.953 -12.622 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -7.760 -4.386 -12.632 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -9.192 -2.674 -12.458 1.00 0.00 N ATOM 0 H ASN A 91 -10.372 -3.845 -10.137 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.454 -6.100 -11.704 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.803 -5.708 -13.452 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.893 -4.342 -13.318 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.438 -1.998 -12.332 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.163 -2.361 -12.457 1.00 0.00 H new ATOM 1376 N PRO A 92 -9.518 -7.542 -10.893 1.00 0.00 N ATOM 1377 CA PRO A 92 -8.578 -8.392 -10.165 1.00 0.00 C ATOM 1378 C PRO A 92 -7.177 -8.417 -10.780 1.00 0.00 C ATOM 1379 O PRO A 92 -6.320 -9.191 -10.353 1.00 0.00 O ATOM 1380 CB PRO A 92 -9.231 -9.764 -10.248 1.00 0.00 C ATOM 1381 CG PRO A 92 -9.966 -9.751 -11.544 1.00 0.00 C ATOM 1382 CD PRO A 92 -10.421 -8.329 -11.756 1.00 0.00 C ATOM 0 HA PRO A 92 -8.411 -8.034 -9.149 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.487 -10.560 -10.222 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.907 -9.933 -9.410 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.322 -10.079 -12.360 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.817 -10.432 -11.516 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.335 -8.033 -12.801 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -11.465 -8.196 -11.471 1.00 0.00 H new ATOM 1390 N GLU A 93 -6.945 -7.577 -11.780 1.00 0.00 N ATOM 1391 CA GLU A 93 -5.613 -7.429 -12.347 1.00 0.00 C ATOM 1392 C GLU A 93 -4.876 -6.311 -11.617 1.00 0.00 C ATOM 1393 O GLU A 93 -3.652 -6.191 -11.699 1.00 0.00 O ATOM 1394 CB GLU A 93 -5.691 -7.137 -13.843 1.00 0.00 C ATOM 1395 CG GLU A 93 -4.335 -7.114 -14.526 1.00 0.00 C ATOM 1396 CD GLU A 93 -4.439 -7.040 -16.032 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -4.839 -5.979 -16.554 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -4.124 -8.047 -16.703 1.00 0.00 O ATOM 0 H GLU A 93 -7.659 -6.991 -12.213 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.065 -8.362 -12.220 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.317 -7.891 -14.320 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.181 -6.175 -13.993 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.765 -6.259 -14.163 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.778 -8.009 -14.248 1.00 0.00 H new ATOM 1405 N TYR A 94 -5.659 -5.501 -10.898 1.00 0.00 N ATOM 1406 CA TYR A 94 -5.148 -4.465 -9.999 1.00 0.00 C ATOM 1407 C TYR A 94 -4.677 -3.235 -10.768 1.00 0.00 C ATOM 1408 O TYR A 94 -5.318 -2.182 -10.720 1.00 0.00 O ATOM 1409 CB TYR A 94 -4.010 -4.999 -9.116 1.00 0.00 C ATOM 1410 CG TYR A 94 -4.302 -6.325 -8.440 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -5.590 -6.673 -8.061 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -3.278 -7.229 -8.186 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -5.853 -7.881 -7.446 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -3.530 -8.437 -7.568 1.00 0.00 C ATOM 1415 CZ TYR A 94 -4.819 -8.758 -7.203 1.00 0.00 C ATOM 1416 OH TYR A 94 -5.073 -9.953 -6.577 1.00 0.00 O ATOM 0 H TYR A 94 -6.678 -5.548 -10.925 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.977 -4.170 -9.356 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.114 -5.108 -9.727 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.785 -4.258 -8.349 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.402 -5.987 -8.250 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.268 -6.982 -8.477 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.862 -8.136 -7.158 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.722 -9.126 -7.372 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.238 -10.456 -6.482 1.00 0.00 H new ATOM 1426 N PHE A 95 -3.570 -3.372 -11.480 1.00 0.00 N ATOM 1427 CA PHE A 95 -2.939 -2.241 -12.140 1.00 0.00 C ATOM 1428 C PHE A 95 -1.960 -2.716 -13.210 1.00 0.00 C ATOM 1429 O PHE A 95 -1.903 -3.904 -13.526 1.00 0.00 O ATOM 1430 CB PHE A 95 -2.217 -1.369 -11.103 1.00 0.00 C ATOM 1431 CG PHE A 95 -1.200 -2.115 -10.275 1.00 0.00 C ATOM 1432 CD1 PHE A 95 0.080 -2.306 -10.752 1.00 0.00 C ATOM 1433 CD2 PHE A 95 -1.521 -2.619 -9.024 1.00 0.00 C ATOM 1434 CE1 PHE A 95 1.023 -2.981 -10.011 1.00 0.00 C ATOM 1435 CE2 PHE A 95 -0.576 -3.299 -8.274 1.00 0.00 C ATOM 1436 CZ PHE A 95 0.698 -3.481 -8.770 1.00 0.00 C ATOM 0 H PHE A 95 -3.088 -4.261 -11.616 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.711 -1.647 -12.628 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.719 -0.547 -11.618 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.958 -0.926 -10.437 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.347 -1.919 -11.724 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.517 -2.480 -8.631 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.020 -3.119 -10.404 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.837 -3.687 -7.300 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.436 -4.013 -8.188 1.00 0.00 H new ATOM 1446 N SER A 96 -1.183 -1.784 -13.753 1.00 0.00 N ATOM 1447 CA SER A 96 -0.243 -2.091 -14.823 1.00 0.00 C ATOM 1448 C SER A 96 1.096 -2.602 -14.275 1.00 0.00 C ATOM 1449 O SER A 96 1.563 -2.161 -13.225 1.00 0.00 O ATOM 1450 CB SER A 96 -0.028 -0.848 -15.682 1.00 0.00 C ATOM 1451 OG SER A 96 -1.267 -0.318 -16.114 1.00 0.00 O ATOM 0 H SER A 96 -1.187 -0.805 -13.467 1.00 0.00 H new ATOM 0 HA SER A 96 -0.668 -2.889 -15.432 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.516 -0.095 -15.111 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.587 -1.099 -16.546 1.00 0.00 H new ATOM 0 HG SER A 96 -1.109 0.479 -16.662 1.00 0.00 H new ATOM 1457 N THR A 97 1.710 -3.505 -15.031 1.00 0.00 N ATOM 1458 CA THR A 97 2.924 -4.217 -14.631 1.00 0.00 C ATOM 1459 C THR A 97 4.044 -3.312 -14.117 1.00 0.00 C ATOM 1460 O THR A 97 4.761 -3.681 -13.187 1.00 0.00 O ATOM 1461 CB THR A 97 3.453 -5.012 -15.831 1.00 0.00 C ATOM 1462 OG1 THR A 97 3.336 -4.212 -17.019 1.00 0.00 O ATOM 1463 CG2 THR A 97 2.683 -6.309 -16.004 1.00 0.00 C ATOM 0 H THR A 97 1.374 -3.770 -15.957 1.00 0.00 H new ATOM 0 HA THR A 97 2.638 -4.863 -13.801 1.00 0.00 H new ATOM 0 HB THR A 97 4.500 -5.260 -15.654 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.675 -4.716 -17.788 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.077 -6.855 -16.861 1.00 0.00 H new ATOM 0 HG22 THR A 97 2.790 -6.918 -15.106 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.629 -6.087 -16.169 1.00 0.00 H new ATOM 1471 N TYR A 98 4.190 -2.134 -14.717 1.00 0.00 N ATOM 1472 CA TYR A 98 5.309 -1.240 -14.403 1.00 0.00 C ATOM 1473 C TYR A 98 5.427 -0.993 -12.903 1.00 0.00 C ATOM 1474 O TYR A 98 6.532 -0.931 -12.363 1.00 0.00 O ATOM 1475 CB TYR A 98 5.174 0.116 -15.102 1.00 0.00 C ATOM 1476 CG TYR A 98 4.210 0.147 -16.263 1.00 0.00 C ATOM 1477 CD1 TYR A 98 4.413 -0.625 -17.400 1.00 0.00 C ATOM 1478 CD2 TYR A 98 3.097 0.970 -16.217 1.00 0.00 C ATOM 1479 CE1 TYR A 98 3.529 -0.576 -18.459 1.00 0.00 C ATOM 1480 CE2 TYR A 98 2.207 1.025 -17.269 1.00 0.00 C ATOM 1481 CZ TYR A 98 2.425 0.251 -18.389 1.00 0.00 C ATOM 1482 OH TYR A 98 1.541 0.303 -19.440 1.00 0.00 O ATOM 0 H TYR A 98 3.549 -1.773 -15.424 1.00 0.00 H new ATOM 0 HA TYR A 98 6.204 -1.746 -14.765 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.857 0.856 -14.367 1.00 0.00 H new ATOM 0 HB3 TYR A 98 6.157 0.423 -15.459 1.00 0.00 H new ATOM 0 HD1 TYR A 98 5.275 -1.273 -17.456 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.923 1.579 -15.342 1.00 0.00 H new ATOM 0 HE1 TYR A 98 3.700 -1.181 -19.337 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.343 1.671 -17.216 1.00 0.00 H new ATOM 0 HH TYR A 98 0.820 0.932 -19.230 1.00 0.00 H new ATOM 1492 N MET A 99 4.287 -0.859 -12.231 1.00 0.00 N ATOM 1493 CA MET A 99 4.284 -0.531 -10.810 1.00 0.00 C ATOM 1494 C MET A 99 4.894 -1.673 -10.004 1.00 0.00 C ATOM 1495 O MET A 99 5.782 -1.469 -9.179 1.00 0.00 O ATOM 1496 CB MET A 99 2.870 -0.290 -10.282 1.00 0.00 C ATOM 1497 CG MET A 99 1.934 0.421 -11.239 1.00 0.00 C ATOM 1498 SD MET A 99 2.322 2.154 -11.487 1.00 0.00 S ATOM 1499 CE MET A 99 0.776 2.681 -12.215 1.00 0.00 C ATOM 0 H MET A 99 3.361 -0.971 -12.644 1.00 0.00 H new ATOM 0 HA MET A 99 4.869 0.382 -10.698 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.430 -1.251 -10.017 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.937 0.294 -9.364 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.961 -0.088 -12.202 1.00 0.00 H new ATOM 0 HG3 MET A 99 0.914 0.338 -10.863 1.00 0.00 H new ATOM 0 HE1 MET A 99 0.825 3.746 -12.442 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.597 2.122 -13.134 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.038 2.496 -11.514 1.00 0.00 H new ATOM 1509 N GLN A 100 4.408 -2.885 -10.264 1.00 0.00 N ATOM 1510 CA GLN A 100 4.821 -4.055 -9.497 1.00 0.00 C ATOM 1511 C GLN A 100 6.260 -4.447 -9.825 1.00 0.00 C ATOM 1512 O GLN A 100 6.976 -4.957 -8.966 1.00 0.00 O ATOM 1513 CB GLN A 100 3.856 -5.227 -9.728 1.00 0.00 C ATOM 1514 CG GLN A 100 3.682 -5.623 -11.182 1.00 0.00 C ATOM 1515 CD GLN A 100 2.734 -6.793 -11.360 1.00 0.00 C ATOM 1516 OE1 GLN A 100 1.750 -6.899 -10.480 1.00 0.00 O flip ATOM 1517 NE2 GLN A 100 2.878 -7.593 -12.283 1.00 0.00 N flip ATOM 0 H GLN A 100 3.729 -3.081 -10.999 1.00 0.00 H new ATOM 0 HA GLN A 100 4.784 -3.796 -8.439 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.215 -6.092 -9.170 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.881 -4.965 -9.317 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.307 -4.768 -11.745 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.654 -5.881 -11.603 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.648 -7.479 -12.942 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.227 -8.371 -12.390 1.00 0.00 H new ATOM 1526 N GLU A 101 6.685 -4.187 -11.057 1.00 0.00 N ATOM 1527 CA GLU A 101 8.078 -4.400 -11.443 1.00 0.00 C ATOM 1528 C GLU A 101 8.992 -3.446 -10.680 1.00 0.00 C ATOM 1529 O GLU A 101 10.134 -3.783 -10.359 1.00 0.00 O ATOM 1530 CB GLU A 101 8.253 -4.213 -12.952 1.00 0.00 C ATOM 1531 CG GLU A 101 7.698 -5.368 -13.771 1.00 0.00 C ATOM 1532 CD GLU A 101 8.454 -6.658 -13.529 1.00 0.00 C ATOM 1533 OE1 GLU A 101 9.479 -6.885 -14.202 1.00 0.00 O ATOM 1534 OE2 GLU A 101 8.032 -7.452 -12.657 1.00 0.00 O ATOM 0 H GLU A 101 6.089 -3.830 -11.804 1.00 0.00 H new ATOM 0 HA GLU A 101 8.353 -5.424 -11.189 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.758 -3.291 -13.256 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.313 -4.095 -13.176 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.646 -5.514 -13.524 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.745 -5.115 -14.830 1.00 0.00 H new ATOM 1541 N GLN A 102 8.482 -2.255 -10.389 1.00 0.00 N ATOM 1542 CA GLN A 102 9.206 -1.288 -9.579 1.00 0.00 C ATOM 1543 C GLN A 102 9.272 -1.773 -8.138 1.00 0.00 C ATOM 1544 O GLN A 102 10.340 -1.819 -7.531 1.00 0.00 O ATOM 1545 CB GLN A 102 8.510 0.070 -9.631 1.00 0.00 C ATOM 1546 CG GLN A 102 9.317 1.202 -9.007 1.00 0.00 C ATOM 1547 CD GLN A 102 10.677 1.385 -9.653 1.00 0.00 C ATOM 1548 OE1 GLN A 102 10.767 1.104 -10.942 1.00 0.00 O flip ATOM 1549 NE2 GLN A 102 11.635 1.790 -8.997 1.00 0.00 N flip ATOM 0 H GLN A 102 7.566 -1.937 -10.704 1.00 0.00 H new ATOM 0 HA GLN A 102 10.216 -1.183 -9.974 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.298 0.319 -10.671 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.551 -0.005 -9.119 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.753 2.131 -9.090 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.450 1.003 -7.944 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.523 1.995 -8.004 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.542 1.921 -9.446 1.00 0.00 H new ATOM 1558 N LEU A 103 8.110 -2.138 -7.613 1.00 0.00 N ATOM 1559 CA LEU A 103 7.997 -2.677 -6.258 1.00 0.00 C ATOM 1560 C LEU A 103 8.951 -3.849 -6.054 1.00 0.00 C ATOM 1561 O LEU A 103 9.704 -3.887 -5.082 1.00 0.00 O ATOM 1562 CB LEU A 103 6.564 -3.142 -5.984 1.00 0.00 C ATOM 1563 CG LEU A 103 5.490 -2.058 -6.088 1.00 0.00 C ATOM 1564 CD1 LEU A 103 4.109 -2.672 -5.935 1.00 0.00 C ATOM 1565 CD2 LEU A 103 5.715 -0.976 -5.041 1.00 0.00 C ATOM 0 H LEU A 103 7.221 -2.071 -8.109 1.00 0.00 H new ATOM 0 HA LEU A 103 8.261 -1.880 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.319 -3.940 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.525 -3.573 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 103 5.558 -1.596 -7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.353 -1.891 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.949 -3.409 -6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.032 -3.158 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.940 -0.215 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.674 -1.419 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.693 -0.519 -5.194 1.00 0.00 H new ATOM 1577 N LYS A 104 8.914 -4.794 -6.988 1.00 0.00 N ATOM 1578 CA LYS A 104 9.760 -5.976 -6.926 1.00 0.00 C ATOM 1579 C LYS A 104 11.235 -5.585 -6.916 1.00 0.00 C ATOM 1580 O LYS A 104 12.026 -6.136 -6.156 1.00 0.00 O ATOM 1581 CB LYS A 104 9.470 -6.882 -8.121 1.00 0.00 C ATOM 1582 CG LYS A 104 10.129 -8.247 -8.035 1.00 0.00 C ATOM 1583 CD LYS A 104 9.883 -9.049 -9.298 1.00 0.00 C ATOM 1584 CE LYS A 104 10.394 -10.473 -9.174 1.00 0.00 C ATOM 1585 NZ LYS A 104 9.664 -11.241 -8.131 1.00 0.00 N ATOM 0 H LYS A 104 8.301 -4.761 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 104 9.540 -6.512 -6.003 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.392 -7.015 -8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.806 -6.385 -9.031 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.201 -8.128 -7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.739 -8.789 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.815 -9.064 -9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.373 -8.560 -10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.292 -10.979 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.457 -10.456 -8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.844 -12.257 -8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.992 -10.946 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.644 -11.057 -8.215 1.00 0.00 H new ATOM 1599 N GLU A 105 11.590 -4.616 -7.750 1.00 0.00 N ATOM 1600 CA GLU A 105 12.967 -4.135 -7.833 1.00 0.00 C ATOM 1601 C GLU A 105 13.400 -3.514 -6.505 1.00 0.00 C ATOM 1602 O GLU A 105 14.526 -3.716 -6.050 1.00 0.00 O ATOM 1603 CB GLU A 105 13.098 -3.115 -8.967 1.00 0.00 C ATOM 1604 CG GLU A 105 14.511 -2.594 -9.178 1.00 0.00 C ATOM 1605 CD GLU A 105 14.615 -1.685 -10.384 1.00 0.00 C ATOM 1606 OE1 GLU A 105 14.730 -2.205 -11.512 1.00 0.00 O ATOM 1607 OE2 GLU A 105 14.572 -0.451 -10.214 1.00 0.00 O ATOM 0 H GLU A 105 10.942 -4.145 -8.382 1.00 0.00 H new ATOM 0 HA GLU A 105 13.620 -4.982 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.749 -3.572 -9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.439 -2.272 -8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.832 -2.052 -8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.192 -3.436 -9.301 1.00 0.00 H new ATOM 1614 N LEU A 106 12.490 -2.777 -5.880 1.00 0.00 N ATOM 1615 CA LEU A 106 12.770 -2.122 -4.607 1.00 0.00 C ATOM 1616 C LEU A 106 13.079 -3.143 -3.512 1.00 0.00 C ATOM 1617 O LEU A 106 13.935 -2.907 -2.658 1.00 0.00 O ATOM 1618 CB LEU A 106 11.580 -1.252 -4.186 1.00 0.00 C ATOM 1619 CG LEU A 106 11.224 -0.116 -5.150 1.00 0.00 C ATOM 1620 CD1 LEU A 106 9.987 0.624 -4.666 1.00 0.00 C ATOM 1621 CD2 LEU A 106 12.392 0.847 -5.305 1.00 0.00 C ATOM 0 H LEU A 106 11.547 -2.617 -6.236 1.00 0.00 H new ATOM 0 HA LEU A 106 13.649 -1.492 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.706 -1.893 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.794 -0.822 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 106 11.009 -0.552 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.748 1.428 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.147 -0.069 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.178 1.044 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.116 1.645 -5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.642 1.275 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.256 0.311 -5.698 1.00 0.00 H new ATOM 1633 N VAL A 107 12.395 -4.278 -3.551 1.00 0.00 N ATOM 1634 CA VAL A 107 12.553 -5.298 -2.521 1.00 0.00 C ATOM 1635 C VAL A 107 13.673 -6.280 -2.866 1.00 0.00 C ATOM 1636 O VAL A 107 14.487 -6.626 -2.012 1.00 0.00 O ATOM 1637 CB VAL A 107 11.239 -6.081 -2.300 1.00 0.00 C ATOM 1638 CG1 VAL A 107 11.392 -7.090 -1.172 1.00 0.00 C ATOM 1639 CG2 VAL A 107 10.088 -5.127 -2.009 1.00 0.00 C ATOM 0 H VAL A 107 11.726 -4.517 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 107 12.816 -4.775 -1.602 1.00 0.00 H new ATOM 0 HB VAL A 107 11.013 -6.626 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 107 10.454 -7.628 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.183 -7.797 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.648 -6.569 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 107 9.172 -5.698 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.311 -4.551 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.956 -4.448 -2.851 1.00 0.00 H new ATOM 1649 N LEU A 108 13.720 -6.713 -4.121 1.00 0.00 N ATOM 1650 CA LEU A 108 14.645 -7.763 -4.542 1.00 0.00 C ATOM 1651 C LEU A 108 16.067 -7.245 -4.746 1.00 0.00 C ATOM 1652 O LEU A 108 17.029 -7.877 -4.311 1.00 0.00 O ATOM 1653 CB LEU A 108 14.147 -8.420 -5.835 1.00 0.00 C ATOM 1654 CG LEU A 108 15.033 -9.540 -6.387 1.00 0.00 C ATOM 1655 CD1 LEU A 108 15.098 -10.705 -5.411 1.00 0.00 C ATOM 1656 CD2 LEU A 108 14.517 -10.001 -7.744 1.00 0.00 C ATOM 0 H LEU A 108 13.127 -6.353 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 108 14.676 -8.498 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.150 -8.823 -5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.047 -7.649 -6.599 1.00 0.00 H new ATOM 0 HG LEU A 108 16.043 -9.151 -6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 108 15.733 -11.490 -5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.513 -10.363 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.095 -11.098 -5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 108 15.156 -10.797 -8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.498 -10.373 -7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.527 -9.163 -8.441 1.00 0.00 H new ATOM 1668 N GLU A 109 16.207 -6.105 -5.415 1.00 0.00 N ATOM 1669 CA GLU A 109 17.531 -5.588 -5.755 1.00 0.00 C ATOM 1670 C GLU A 109 18.256 -5.083 -4.514 1.00 0.00 C ATOM 1671 O GLU A 109 19.146 -5.753 -3.993 1.00 0.00 O ATOM 1672 CB GLU A 109 17.431 -4.481 -6.805 1.00 0.00 C ATOM 1673 CG GLU A 109 16.874 -4.960 -8.135 1.00 0.00 C ATOM 1674 CD GLU A 109 17.758 -5.995 -8.801 1.00 0.00 C ATOM 1675 OE1 GLU A 109 18.689 -5.601 -9.530 1.00 0.00 O ATOM 1676 OE2 GLU A 109 17.523 -7.207 -8.605 1.00 0.00 O ATOM 0 H GLU A 109 15.429 -5.525 -5.731 1.00 0.00 H new ATOM 0 HA GLU A 109 18.111 -6.409 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.797 -3.682 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.420 -4.053 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.882 -5.383 -7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.754 -4.107 -8.803 1.00 0.00 H new ATOM 1683 N HIS A 110 17.863 -3.914 -4.030 1.00 0.00 N ATOM 1684 CA HIS A 110 18.457 -3.368 -2.816 1.00 0.00 C ATOM 1685 C HIS A 110 17.721 -3.883 -1.584 1.00 0.00 C ATOM 1686 O HIS A 110 17.150 -3.120 -0.801 1.00 0.00 O ATOM 1687 CB HIS A 110 18.514 -1.828 -2.845 1.00 0.00 C ATOM 1688 CG HIS A 110 17.244 -1.148 -3.263 1.00 0.00 C ATOM 1689 ND1 HIS A 110 16.990 -0.773 -4.563 1.00 0.00 N ATOM 1690 CD2 HIS A 110 16.168 -0.751 -2.546 1.00 0.00 C ATOM 1691 CE1 HIS A 110 15.818 -0.178 -4.628 1.00 0.00 C ATOM 1692 NE2 HIS A 110 15.295 -0.148 -3.417 1.00 0.00 N ATOM 0 H HIS A 110 17.143 -3.329 -4.453 1.00 0.00 H new ATOM 0 HA HIS A 110 19.489 -3.715 -2.763 1.00 0.00 H new ATOM 0 HB2 HIS A 110 18.788 -1.472 -1.852 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.311 -1.523 -3.524 1.00 0.00 H new ATOM 0 HD2 HIS A 110 16.023 -0.884 -1.484 1.00 0.00 H new ATOM 0 HE1 HIS A 110 15.361 0.219 -5.522 1.00 0.00 H new ATOM 0 HE2 HIS A 110 14.392 0.256 -3.169 1.00 0.00 H new