USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 439 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 29 HIS : no HD1:sc= -1.54 K(o=-1.8,f=-5.4!) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= -0.259 USER MOD Set 2.1: A 19 ASN : amide:sc= -0.927 X(o=-3.7,f=-4.2!) USER MOD Set 2.2: A 20 HIS : no HE2:sc= -2.75 X(o=-3.7,f=-3.4) USER MOD Set 2.3: A 61 TYR OH : rot 180:sc=-9.29e-05 USER MOD Set 3.1: A 15 HIS : no HD1:sc= -0.321 K(o=-0.13,f=-1.1) USER MOD Set 3.2: A 33 LYS NZ :NH3+ -157:sc= 0.193 (180deg=0) USER MOD Single : A 12 MET CE :methyl 178:sc= -1.81 (180deg=-1.86) USER MOD Single : A 13 MET CE :methyl 133:sc= -1.95 (180deg=-4.94!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -113:sc= -1.01 (180deg=-2.24) USER MOD Single : A 27 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.3) USER MOD Single : A 30 TYR OH : rot 180:sc= 1.11 USER MOD Single : A 39 TYR OH : rot -11:sc= -1.11 USER MOD Single : A 41 GLN : amide:sc= -8.15! C(o=-8.2!,f=-9.6!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.648 K(o=-0.65,f=-4.3!) USER MOD Single : A 54 TYR OH : rot 159:sc= 1.21 USER MOD Single : A 58 LYS NZ :NH3+ -147:sc= 0.08 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.858 K(o=-0.86,f=0) USER MOD ----------------------------------------------------------------- ATOM 141 N MET A 12 -0.351 -8.001 -8.546 1.00 0.00 N ATOM 142 CA MET A 12 0.222 -6.948 -7.717 1.00 0.00 C ATOM 143 C MET A 12 0.221 -7.351 -6.246 1.00 0.00 C ATOM 144 O MET A 12 -0.794 -7.805 -5.719 1.00 0.00 O ATOM 145 CB MET A 12 -0.557 -5.644 -7.901 1.00 0.00 C ATOM 146 CG MET A 12 -0.019 -4.767 -9.020 1.00 0.00 C ATOM 147 SD MET A 12 1.702 -4.295 -8.767 1.00 0.00 S ATOM 148 CE MET A 12 1.624 -2.537 -9.101 1.00 0.00 C ATOM 0 HA MET A 12 1.254 -6.794 -8.032 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.601 -5.880 -8.106 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.534 -5.082 -6.967 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.110 -5.297 -9.968 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.630 -3.868 -9.098 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.608 -2.094 -8.951 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.307 -2.376 -10.132 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.909 -2.070 -8.424 1.00 0.00 H new ATOM 158 N MET A 13 1.364 -7.183 -5.590 1.00 0.00 N ATOM 159 CA MET A 13 1.493 -7.530 -4.179 1.00 0.00 C ATOM 160 C MET A 13 2.049 -6.356 -3.379 1.00 0.00 C ATOM 161 O MET A 13 2.496 -5.361 -3.950 1.00 0.00 O ATOM 162 CB MET A 13 2.401 -8.750 -4.013 1.00 0.00 C ATOM 163 CG MET A 13 2.144 -9.843 -5.038 1.00 0.00 C ATOM 164 SD MET A 13 3.625 -10.798 -5.421 1.00 0.00 S ATOM 165 CE MET A 13 4.618 -9.563 -6.255 1.00 0.00 C ATOM 0 H MET A 13 2.214 -6.809 -6.012 1.00 0.00 H new ATOM 0 HA MET A 13 0.501 -7.770 -3.797 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.441 -8.431 -4.087 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.264 -9.161 -3.013 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.371 -10.514 -4.662 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.759 -9.394 -5.954 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.632 -9.580 -5.855 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.645 -9.779 -7.323 1.00 0.00 H new ATOM 0 HE3 MET A 13 4.182 -8.577 -6.095 1.00 0.00 H new ATOM 175 N ILE A 14 2.016 -6.479 -2.057 1.00 0.00 N ATOM 176 CA ILE A 14 2.517 -5.428 -1.180 1.00 0.00 C ATOM 177 C ILE A 14 3.690 -5.924 -0.341 1.00 0.00 C ATOM 178 O ILE A 14 3.500 -6.537 0.710 1.00 0.00 O ATOM 179 CB ILE A 14 1.414 -4.904 -0.241 1.00 0.00 C ATOM 180 CG1 ILE A 14 0.294 -4.247 -1.051 1.00 0.00 C ATOM 181 CG2 ILE A 14 1.996 -3.920 0.763 1.00 0.00 C ATOM 182 CD1 ILE A 14 -0.805 -3.658 -0.195 1.00 0.00 C ATOM 0 H ILE A 14 1.648 -7.296 -1.569 1.00 0.00 H new ATOM 0 HA ILE A 14 2.852 -4.614 -1.823 1.00 0.00 H new ATOM 0 HB ILE A 14 0.994 -5.747 0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.720 -3.460 -1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.138 -4.987 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.204 -3.559 1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.762 -4.418 1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.439 -3.078 0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.564 -3.209 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.258 -4.445 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.386 -2.894 0.460 1.00 0.00 H new ATOM 194 N HIS A 15 4.903 -5.654 -0.811 1.00 0.00 N ATOM 195 CA HIS A 15 6.108 -6.071 -0.103 1.00 0.00 C ATOM 196 C HIS A 15 6.038 -5.674 1.369 1.00 0.00 C ATOM 197 O HIS A 15 6.088 -6.528 2.254 1.00 0.00 O ATOM 198 CB HIS A 15 7.347 -5.452 -0.752 1.00 0.00 C ATOM 199 CG HIS A 15 8.623 -6.147 -0.390 1.00 0.00 C ATOM 200 ND1 HIS A 15 9.526 -6.600 -1.329 1.00 0.00 N ATOM 201 CD2 HIS A 15 9.147 -6.465 0.817 1.00 0.00 C ATOM 202 CE1 HIS A 15 10.549 -7.168 -0.715 1.00 0.00 C ATOM 203 NE2 HIS A 15 10.343 -7.098 0.588 1.00 0.00 N ATOM 0 H HIS A 15 5.078 -5.148 -1.679 1.00 0.00 H new ATOM 0 HA HIS A 15 6.179 -7.157 -0.166 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.227 -5.471 -1.835 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.417 -4.405 -0.457 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.706 -6.259 1.781 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.407 -7.613 -1.196 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.971 -7.456 1.307 1.00 0.00 H new ATOM 212 N ARG A 16 5.923 -4.375 1.621 1.00 0.00 N ATOM 213 CA ARG A 16 5.848 -3.865 2.985 1.00 0.00 C ATOM 214 C ARG A 16 5.575 -2.364 2.991 1.00 0.00 C ATOM 215 O ARG A 16 6.078 -1.629 2.140 1.00 0.00 O ATOM 216 CB ARG A 16 7.149 -4.161 3.735 1.00 0.00 C ATOM 217 CG ARG A 16 8.373 -3.513 3.109 1.00 0.00 C ATOM 218 CD ARG A 16 9.615 -3.735 3.957 1.00 0.00 C ATOM 219 NE ARG A 16 10.006 -5.142 3.998 1.00 0.00 N ATOM 220 CZ ARG A 16 11.139 -5.575 4.540 1.00 0.00 C ATOM 221 NH1 ARG A 16 11.989 -4.714 5.083 1.00 0.00 N ATOM 222 NH2 ARG A 16 11.424 -6.871 4.539 1.00 0.00 N ATOM 0 H ARG A 16 5.880 -3.656 0.899 1.00 0.00 H new ATOM 0 HA ARG A 16 5.023 -4.368 3.489 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.052 -3.816 4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.299 -5.240 3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.534 -3.923 2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.199 -2.444 2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.437 -3.142 3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.430 -3.381 4.971 1.00 0.00 H new ATOM 0 HE ARG A 16 9.374 -5.830 3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.773 -3.717 5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.858 -5.049 5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.773 -7.536 4.122 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.294 -7.202 4.955 1.00 0.00 H new ATOM 236 N ILE A 17 4.777 -1.916 3.953 1.00 0.00 N ATOM 237 CA ILE A 17 4.438 -0.504 4.069 1.00 0.00 C ATOM 238 C ILE A 17 5.670 0.332 4.400 1.00 0.00 C ATOM 239 O ILE A 17 6.138 0.344 5.539 1.00 0.00 O ATOM 240 CB ILE A 17 3.367 -0.268 5.151 1.00 0.00 C ATOM 241 CG1 ILE A 17 2.008 -0.785 4.674 1.00 0.00 C ATOM 242 CG2 ILE A 17 3.284 1.210 5.502 1.00 0.00 C ATOM 243 CD1 ILE A 17 0.972 -0.865 5.774 1.00 0.00 C ATOM 0 H ILE A 17 4.353 -2.511 4.664 1.00 0.00 H new ATOM 0 HA ILE A 17 4.040 -0.195 3.102 1.00 0.00 H new ATOM 0 HB ILE A 17 3.650 -0.818 6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.637 -0.133 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.138 -1.775 4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.523 1.360 6.268 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.249 1.549 5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.021 1.781 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.034 -1.239 5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.322 -1.540 6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.813 0.127 6.197 1.00 0.00 H new ATOM 255 N LEU A 18 6.190 1.031 3.397 1.00 0.00 N ATOM 256 CA LEU A 18 7.368 1.872 3.581 1.00 0.00 C ATOM 257 C LEU A 18 7.098 2.970 4.605 1.00 0.00 C ATOM 258 O LEU A 18 7.846 3.132 5.568 1.00 0.00 O ATOM 259 CB LEU A 18 7.788 2.493 2.248 1.00 0.00 C ATOM 260 CG LEU A 18 7.921 1.528 1.070 1.00 0.00 C ATOM 261 CD1 LEU A 18 8.602 2.211 -0.106 1.00 0.00 C ATOM 262 CD2 LEU A 18 8.692 0.283 1.485 1.00 0.00 C ATOM 0 H LEU A 18 5.815 1.032 2.448 1.00 0.00 H new ATOM 0 HA LEU A 18 8.178 1.245 3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.061 3.261 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.745 2.996 2.390 1.00 0.00 H new ATOM 0 HG LEU A 18 6.921 1.226 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.688 1.508 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.011 3.071 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.596 2.543 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.777 -0.393 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.688 0.568 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.164 -0.219 2.295 1.00 0.00 H new ATOM 274 N ASN A 19 6.023 3.722 4.389 1.00 0.00 N ATOM 275 CA ASN A 19 5.654 4.804 5.294 1.00 0.00 C ATOM 276 C ASN A 19 4.221 5.263 5.037 1.00 0.00 C ATOM 277 O ASN A 19 3.546 4.753 4.143 1.00 0.00 O ATOM 278 CB ASN A 19 6.615 5.984 5.132 1.00 0.00 C ATOM 279 CG ASN A 19 6.713 6.827 6.388 1.00 0.00 C ATOM 280 OD1 ASN A 19 6.459 6.346 7.493 1.00 0.00 O ATOM 281 ND2 ASN A 19 7.083 8.091 6.225 1.00 0.00 N ATOM 0 H ASN A 19 5.393 3.602 3.596 1.00 0.00 H new ATOM 0 HA ASN A 19 5.720 4.428 6.315 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.605 5.610 4.871 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.282 6.609 4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.167 8.706 7.034 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.284 8.447 5.291 1.00 0.00 H new ATOM 288 N HIS A 20 3.764 6.229 5.827 1.00 0.00 N ATOM 289 CA HIS A 20 2.412 6.758 5.685 1.00 0.00 C ATOM 290 C HIS A 20 2.421 8.283 5.695 1.00 0.00 C ATOM 291 O HIS A 20 3.180 8.904 6.439 1.00 0.00 O ATOM 292 CB HIS A 20 1.516 6.234 6.808 1.00 0.00 C ATOM 293 CG HIS A 20 1.721 6.936 8.115 1.00 0.00 C ATOM 294 ND1 HIS A 20 2.516 6.433 9.123 1.00 0.00 N ATOM 295 CD2 HIS A 20 1.231 8.111 8.574 1.00 0.00 C ATOM 296 CE1 HIS A 20 2.504 7.267 10.148 1.00 0.00 C ATOM 297 NE2 HIS A 20 1.732 8.294 9.840 1.00 0.00 N ATOM 0 H HIS A 20 4.310 6.662 6.572 1.00 0.00 H new ATOM 0 HA HIS A 20 2.016 6.421 4.727 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.473 6.339 6.508 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.703 5.169 6.944 1.00 0.00 H new ATOM 0 HD1 HIS A 20 3.033 5.554 9.084 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.569 8.780 8.044 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.035 7.132 11.079 1.00 0.00 H new ATOM 306 N SER A 21 1.574 8.881 4.864 1.00 0.00 N ATOM 307 CA SER A 21 1.488 10.334 4.774 1.00 0.00 C ATOM 308 C SER A 21 0.067 10.774 4.436 1.00 0.00 C ATOM 309 O SER A 21 -0.538 10.283 3.482 1.00 0.00 O ATOM 310 CB SER A 21 2.461 10.859 3.717 1.00 0.00 C ATOM 311 OG SER A 21 2.174 12.206 3.384 1.00 0.00 O ATOM 0 H SER A 21 0.937 8.382 4.243 1.00 0.00 H new ATOM 0 HA SER A 21 1.758 10.750 5.745 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.483 10.783 4.089 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.400 10.239 2.822 1.00 0.00 H new ATOM 0 HG SER A 21 2.811 12.519 2.708 1.00 0.00 H new ATOM 317 N VAL A 22 -0.462 11.704 5.225 1.00 0.00 N ATOM 318 CA VAL A 22 -1.811 12.212 5.011 1.00 0.00 C ATOM 319 C VAL A 22 -1.783 13.651 4.508 1.00 0.00 C ATOM 320 O VAL A 22 -1.324 14.555 5.207 1.00 0.00 O ATOM 321 CB VAL A 22 -2.648 12.148 6.303 1.00 0.00 C ATOM 322 CG1 VAL A 22 -1.803 12.538 7.506 1.00 0.00 C ATOM 323 CG2 VAL A 22 -3.873 13.041 6.189 1.00 0.00 C ATOM 0 H VAL A 22 0.024 12.121 6.019 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.272 11.575 4.257 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.988 11.122 6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.411 12.487 8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.960 11.853 7.596 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.431 13.554 7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.452 12.983 7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.558 14.071 6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.488 12.710 5.352 1.00 0.00 H new ATOM 333 N ASP A 23 -2.277 13.857 3.293 1.00 0.00 N ATOM 334 CA ASP A 23 -2.310 15.187 2.696 1.00 0.00 C ATOM 335 C ASP A 23 -3.217 16.119 3.494 1.00 0.00 C ATOM 336 O ASP A 23 -4.017 15.670 4.316 1.00 0.00 O ATOM 337 CB ASP A 23 -2.791 15.108 1.246 1.00 0.00 C ATOM 338 CG ASP A 23 -3.134 16.469 0.674 1.00 0.00 C ATOM 339 OD1 ASP A 23 -2.254 17.355 0.683 1.00 0.00 O ATOM 340 OD2 ASP A 23 -4.282 16.649 0.217 1.00 0.00 O ATOM 0 H ASP A 23 -2.660 13.120 2.701 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.297 15.590 2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.017 14.645 0.634 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.668 14.463 1.192 1.00 0.00 H new ATOM 345 N LYS A 24 -3.087 17.418 3.248 1.00 0.00 N ATOM 346 CA LYS A 24 -3.894 18.414 3.943 1.00 0.00 C ATOM 347 C LYS A 24 -5.363 18.004 3.965 1.00 0.00 C ATOM 348 O LYS A 24 -6.021 18.070 5.004 1.00 0.00 O ATOM 349 CB LYS A 24 -3.745 19.780 3.270 1.00 0.00 C ATOM 350 CG LYS A 24 -2.606 20.614 3.833 1.00 0.00 C ATOM 351 CD LYS A 24 -1.298 20.328 3.115 1.00 0.00 C ATOM 352 CE LYS A 24 -0.363 21.527 3.162 1.00 0.00 C ATOM 353 NZ LYS A 24 0.993 21.193 2.643 1.00 0.00 N ATOM 0 H LYS A 24 -2.430 17.806 2.572 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.538 18.481 4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.584 19.634 2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.678 20.333 3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.849 21.673 3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.492 20.405 4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.811 19.467 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.501 20.064 2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.787 22.341 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.281 21.884 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.601 22.036 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.408 20.433 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.918 20.877 1.655 1.00 0.00 H new ATOM 367 N LYS A 25 -5.872 17.580 2.814 1.00 0.00 N ATOM 368 CA LYS A 25 -7.263 17.157 2.701 1.00 0.00 C ATOM 369 C LYS A 25 -7.672 16.309 3.901 1.00 0.00 C ATOM 370 O LYS A 25 -8.720 16.536 4.505 1.00 0.00 O ATOM 371 CB LYS A 25 -7.473 16.365 1.408 1.00 0.00 C ATOM 372 CG LYS A 25 -7.501 17.232 0.162 1.00 0.00 C ATOM 373 CD LYS A 25 -8.917 17.655 -0.192 1.00 0.00 C ATOM 374 CE LYS A 25 -9.478 18.631 0.831 1.00 0.00 C ATOM 375 NZ LYS A 25 -10.199 17.929 1.929 1.00 0.00 N ATOM 0 H LYS A 25 -5.342 17.520 1.945 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.888 18.050 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.676 15.628 1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.411 15.813 1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.885 18.117 0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.064 16.684 -0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.924 18.117 -1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.558 16.775 -0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.666 19.224 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.157 19.325 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.213 18.155 1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.067 16.902 1.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.821 18.239 2.847 1.00 0.00 H new ATOM 389 N GLY A 26 -6.838 15.331 4.242 1.00 0.00 N ATOM 390 CA GLY A 26 -7.131 14.466 5.370 1.00 0.00 C ATOM 391 C GLY A 26 -7.069 12.996 5.004 1.00 0.00 C ATOM 392 O GLY A 26 -7.246 12.128 5.859 1.00 0.00 O ATOM 0 H GLY A 26 -5.965 15.122 3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.422 14.668 6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.123 14.700 5.755 1.00 0.00 H new ATOM 396 N HIS A 27 -6.820 12.715 3.729 1.00 0.00 N ATOM 397 CA HIS A 27 -6.737 11.340 3.251 1.00 0.00 C ATOM 398 C HIS A 27 -5.367 10.741 3.554 1.00 0.00 C ATOM 399 O HIS A 27 -4.350 11.197 3.031 1.00 0.00 O ATOM 400 CB HIS A 27 -7.011 11.282 1.748 1.00 0.00 C ATOM 401 CG HIS A 27 -8.344 11.843 1.360 1.00 0.00 C ATOM 402 ND1 HIS A 27 -9.121 11.310 0.353 1.00 0.00 N ATOM 403 CD2 HIS A 27 -9.038 12.896 1.852 1.00 0.00 C ATOM 404 CE1 HIS A 27 -10.235 12.012 0.241 1.00 0.00 C ATOM 405 NE2 HIS A 27 -10.209 12.980 1.139 1.00 0.00 N ATOM 0 H HIS A 27 -6.672 13.422 3.008 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.494 10.754 3.773 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.229 11.830 1.223 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.952 10.245 1.416 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.729 13.548 2.655 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.031 11.826 -0.465 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.940 13.677 1.280 1.00 0.00 H new ATOM 414 N VAL A 28 -5.347 9.718 4.402 1.00 0.00 N ATOM 415 CA VAL A 28 -4.102 9.057 4.774 1.00 0.00 C ATOM 416 C VAL A 28 -3.600 8.159 3.650 1.00 0.00 C ATOM 417 O VAL A 28 -4.345 7.335 3.118 1.00 0.00 O ATOM 418 CB VAL A 28 -4.275 8.214 6.052 1.00 0.00 C ATOM 419 CG1 VAL A 28 -3.073 7.305 6.258 1.00 0.00 C ATOM 420 CG2 VAL A 28 -4.486 9.114 7.260 1.00 0.00 C ATOM 0 H VAL A 28 -6.179 9.329 4.845 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.370 9.842 4.962 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.159 7.587 5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.213 6.717 7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.972 6.636 5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.171 7.910 6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.606 8.501 8.154 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.622 9.768 7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.381 9.719 7.111 1.00 0.00 H new ATOM 430 N HIS A 29 -2.330 8.322 3.292 1.00 0.00 N ATOM 431 CA HIS A 29 -1.726 7.524 2.231 1.00 0.00 C ATOM 432 C HIS A 29 -0.640 6.610 2.789 1.00 0.00 C ATOM 433 O HIS A 29 -0.025 6.912 3.812 1.00 0.00 O ATOM 434 CB HIS A 29 -1.137 8.435 1.152 1.00 0.00 C ATOM 435 CG HIS A 29 -2.153 9.316 0.493 1.00 0.00 C ATOM 436 ND1 HIS A 29 -3.495 9.286 0.809 1.00 0.00 N ATOM 437 CD2 HIS A 29 -2.016 10.258 -0.470 1.00 0.00 C ATOM 438 CE1 HIS A 29 -4.140 10.169 0.068 1.00 0.00 C ATOM 439 NE2 HIS A 29 -3.265 10.773 -0.716 1.00 0.00 N ATOM 0 H HIS A 29 -1.700 8.999 3.721 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.505 6.904 1.788 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.362 9.058 1.598 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.654 7.820 0.393 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.096 10.550 -0.954 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.202 10.364 0.098 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.482 11.503 -1.394 1.00 0.00 H new ATOM 448 N TYR A 30 -0.411 5.490 2.112 1.00 0.00 N ATOM 449 CA TYR A 30 0.598 4.530 2.542 1.00 0.00 C ATOM 450 C TYR A 30 1.549 4.190 1.399 1.00 0.00 C ATOM 451 O TYR A 30 1.139 3.638 0.377 1.00 0.00 O ATOM 452 CB TYR A 30 -0.069 3.255 3.062 1.00 0.00 C ATOM 453 CG TYR A 30 -0.958 3.484 4.263 1.00 0.00 C ATOM 454 CD1 TYR A 30 -0.418 3.614 5.537 1.00 0.00 C ATOM 455 CD2 TYR A 30 -2.338 3.568 4.125 1.00 0.00 C ATOM 456 CE1 TYR A 30 -1.226 3.822 6.638 1.00 0.00 C ATOM 457 CE2 TYR A 30 -3.154 3.778 5.220 1.00 0.00 C ATOM 458 CZ TYR A 30 -2.593 3.904 6.474 1.00 0.00 C ATOM 459 OH TYR A 30 -3.403 4.111 7.567 1.00 0.00 O ATOM 0 H TYR A 30 -0.911 5.225 1.263 1.00 0.00 H new ATOM 0 HA TYR A 30 1.175 4.985 3.347 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.661 2.812 2.261 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.703 2.532 3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.652 3.551 5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.780 3.467 3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.790 3.920 7.621 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.225 3.843 5.095 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.339 4.145 7.279 1.00 0.00 H new ATOM 469 N LEU A 31 2.823 4.522 1.579 1.00 0.00 N ATOM 470 CA LEU A 31 3.835 4.251 0.564 1.00 0.00 C ATOM 471 C LEU A 31 3.995 2.751 0.340 1.00 0.00 C ATOM 472 O LEU A 31 4.810 2.100 0.993 1.00 0.00 O ATOM 473 CB LEU A 31 5.175 4.863 0.976 1.00 0.00 C ATOM 474 CG LEU A 31 6.338 4.645 0.007 1.00 0.00 C ATOM 475 CD1 LEU A 31 5.912 4.958 -1.418 1.00 0.00 C ATOM 476 CD2 LEU A 31 7.533 5.499 0.408 1.00 0.00 C ATOM 0 H LEU A 31 3.179 4.979 2.418 1.00 0.00 H new ATOM 0 HA LEU A 31 3.507 4.705 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.036 5.936 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.455 4.454 1.947 1.00 0.00 H new ATOM 0 HG LEU A 31 6.633 3.597 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.753 4.797 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.088 4.304 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.590 5.997 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.351 5.331 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.250 6.552 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.854 5.226 1.413 1.00 0.00 H new ATOM 488 N ILE A 32 3.213 2.210 -0.588 1.00 0.00 N ATOM 489 CA ILE A 32 3.271 0.787 -0.900 1.00 0.00 C ATOM 490 C ILE A 32 4.452 0.472 -1.812 1.00 0.00 C ATOM 491 O ILE A 32 4.666 1.140 -2.824 1.00 0.00 O ATOM 492 CB ILE A 32 1.973 0.306 -1.575 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.772 0.568 -0.665 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.072 -1.173 -1.918 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.549 0.153 -1.274 1.00 0.00 C ATOM 0 H ILE A 32 2.532 2.735 -1.137 1.00 0.00 H new ATOM 0 HA ILE A 32 3.396 0.261 0.046 1.00 0.00 H new ATOM 0 HB ILE A 32 1.833 0.865 -2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.914 0.033 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.734 1.630 -0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.147 -1.499 -2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.907 -1.333 -2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.232 -1.748 -1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.356 0.368 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.714 0.707 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.531 -0.915 -1.490 1.00 0.00 H new ATOM 507 N LYS A 33 5.217 -0.552 -1.448 1.00 0.00 N ATOM 508 CA LYS A 33 6.375 -0.960 -2.233 1.00 0.00 C ATOM 509 C LYS A 33 6.086 -2.245 -3.003 1.00 0.00 C ATOM 510 O LYS A 33 6.235 -3.345 -2.471 1.00 0.00 O ATOM 511 CB LYS A 33 7.589 -1.161 -1.323 1.00 0.00 C ATOM 512 CG LYS A 33 8.793 -1.752 -2.036 1.00 0.00 C ATOM 513 CD LYS A 33 9.698 -2.503 -1.074 1.00 0.00 C ATOM 514 CE LYS A 33 11.095 -2.682 -1.648 1.00 0.00 C ATOM 515 NZ LYS A 33 11.212 -3.936 -2.442 1.00 0.00 N ATOM 0 H LYS A 33 5.055 -1.115 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 33 6.593 -0.169 -2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.870 -0.202 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.309 -1.815 -0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.456 -2.428 -2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.357 -0.955 -2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.758 -1.960 -0.130 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.266 -3.479 -0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.340 -1.828 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.822 -2.697 -0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.209 -4.228 -2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.651 -4.686 -1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.857 -3.771 -3.406 1.00 0.00 H new ATOM 529 N TRP A 34 5.673 -2.097 -4.256 1.00 0.00 N ATOM 530 CA TRP A 34 5.364 -3.247 -5.099 1.00 0.00 C ATOM 531 C TRP A 34 6.522 -4.239 -5.112 1.00 0.00 C ATOM 532 O TRP A 34 7.567 -3.980 -5.708 1.00 0.00 O ATOM 533 CB TRP A 34 5.051 -2.791 -6.525 1.00 0.00 C ATOM 534 CG TRP A 34 4.016 -1.709 -6.589 1.00 0.00 C ATOM 535 CD1 TRP A 34 4.198 -0.425 -7.017 1.00 0.00 C ATOM 536 CD2 TRP A 34 2.639 -1.816 -6.211 1.00 0.00 C ATOM 537 NE1 TRP A 34 3.017 0.272 -6.928 1.00 0.00 N ATOM 538 CE2 TRP A 34 2.046 -0.559 -6.437 1.00 0.00 C ATOM 539 CE3 TRP A 34 1.850 -2.853 -5.705 1.00 0.00 C ATOM 540 CZ2 TRP A 34 0.701 -0.313 -6.173 1.00 0.00 C ATOM 541 CZ3 TRP A 34 0.516 -2.607 -5.443 1.00 0.00 C ATOM 542 CH2 TRP A 34 -0.048 -1.346 -5.678 1.00 0.00 C ATOM 0 H TRP A 34 5.544 -1.193 -4.711 1.00 0.00 H new ATOM 0 HA TRP A 34 4.488 -3.745 -4.684 1.00 0.00 H new ATOM 0 HB2 TRP A 34 5.968 -2.435 -6.994 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.707 -3.647 -7.105 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.133 -0.017 -7.373 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.885 1.250 -7.186 1.00 0.00 H new ATOM 0 HE3 TRP A 34 2.275 -3.829 -5.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 0.264 0.658 -6.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.103 -3.400 -5.050 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -1.094 -1.186 -5.464 1.00 0.00 H new ATOM 553 N ARG A 35 6.329 -5.376 -4.451 1.00 0.00 N ATOM 554 CA ARG A 35 7.358 -6.406 -4.387 1.00 0.00 C ATOM 555 C ARG A 35 8.142 -6.475 -5.694 1.00 0.00 C ATOM 556 O ARG A 35 9.367 -6.356 -5.702 1.00 0.00 O ATOM 557 CB ARG A 35 6.729 -7.768 -4.085 1.00 0.00 C ATOM 558 CG ARG A 35 6.178 -7.885 -2.673 1.00 0.00 C ATOM 559 CD ARG A 35 5.792 -9.318 -2.343 1.00 0.00 C ATOM 560 NE ARG A 35 4.953 -9.398 -1.150 1.00 0.00 N ATOM 561 CZ ARG A 35 4.333 -10.506 -0.760 1.00 0.00 C ATOM 562 NH1 ARG A 35 4.457 -11.622 -1.465 1.00 0.00 N ATOM 563 NH2 ARG A 35 3.587 -10.500 0.337 1.00 0.00 N ATOM 0 H ARG A 35 5.470 -5.607 -3.952 1.00 0.00 H new ATOM 0 HA ARG A 35 8.047 -6.145 -3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.924 -7.953 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.476 -8.546 -4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.924 -7.535 -1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.307 -7.239 -2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.261 -9.755 -3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.694 -9.911 -2.192 1.00 0.00 H new ATOM 0 HE ARG A 35 4.837 -8.557 -0.585 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.030 -11.631 -2.309 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.980 -12.472 -1.163 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.489 -9.644 0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.112 -11.352 0.635 1.00 0.00 H new ATOM 577 N ASP A 36 7.427 -6.667 -6.797 1.00 0.00 N ATOM 578 CA ASP A 36 8.055 -6.751 -8.110 1.00 0.00 C ATOM 579 C ASP A 36 9.006 -5.579 -8.333 1.00 0.00 C ATOM 580 O ASP A 36 10.163 -5.769 -8.711 1.00 0.00 O ATOM 581 CB ASP A 36 6.989 -6.775 -9.208 1.00 0.00 C ATOM 582 CG ASP A 36 7.587 -6.672 -10.597 1.00 0.00 C ATOM 583 OD1 ASP A 36 8.437 -7.520 -10.942 1.00 0.00 O ATOM 584 OD2 ASP A 36 7.205 -5.744 -11.340 1.00 0.00 O ATOM 0 H ASP A 36 6.412 -6.767 -6.808 1.00 0.00 H new ATOM 0 HA ASP A 36 8.630 -7.676 -8.152 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.413 -7.697 -9.131 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.293 -5.950 -9.053 1.00 0.00 H new ATOM 589 N LEU A 37 8.511 -4.369 -8.099 1.00 0.00 N ATOM 590 CA LEU A 37 9.317 -3.166 -8.275 1.00 0.00 C ATOM 591 C LEU A 37 10.216 -2.930 -7.066 1.00 0.00 C ATOM 592 O LEU A 37 9.895 -3.312 -5.940 1.00 0.00 O ATOM 593 CB LEU A 37 8.414 -1.952 -8.499 1.00 0.00 C ATOM 594 CG LEU A 37 7.547 -1.982 -9.757 1.00 0.00 C ATOM 595 CD1 LEU A 37 6.652 -0.754 -9.819 1.00 0.00 C ATOM 596 CD2 LEU A 37 8.417 -2.073 -11.002 1.00 0.00 C ATOM 0 H LEU A 37 7.556 -4.195 -7.787 1.00 0.00 H new ATOM 0 HA LEU A 37 9.949 -3.307 -9.151 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.760 -1.847 -7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.040 -1.061 -8.535 1.00 0.00 H new ATOM 0 HG LEU A 37 6.912 -2.867 -9.716 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.042 -0.793 -10.722 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.003 -0.732 -8.943 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.268 0.145 -9.836 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.783 -2.093 -11.888 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.078 -1.207 -11.048 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.015 -2.984 -10.963 1.00 0.00 H new ATOM 608 N PRO A 38 11.367 -2.284 -7.300 1.00 0.00 N ATOM 609 CA PRO A 38 12.335 -1.980 -6.242 1.00 0.00 C ATOM 610 C PRO A 38 11.822 -0.918 -5.276 1.00 0.00 C ATOM 611 O PRO A 38 10.652 -0.538 -5.320 1.00 0.00 O ATOM 612 CB PRO A 38 13.551 -1.461 -7.011 1.00 0.00 C ATOM 613 CG PRO A 38 12.994 -0.929 -8.287 1.00 0.00 C ATOM 614 CD PRO A 38 11.814 -1.800 -8.618 1.00 0.00 C ATOM 0 HA PRO A 38 12.547 -2.850 -5.621 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.071 -0.683 -6.451 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.272 -2.257 -7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.692 0.112 -8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.739 -0.962 -9.082 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.030 -1.239 -9.127 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.094 -2.624 -9.275 1.00 0.00 H new ATOM 622 N TYR A 39 12.705 -0.442 -4.404 1.00 0.00 N ATOM 623 CA TYR A 39 12.340 0.576 -3.426 1.00 0.00 C ATOM 624 C TYR A 39 12.378 1.968 -4.048 1.00 0.00 C ATOM 625 O TYR A 39 11.625 2.858 -3.653 1.00 0.00 O ATOM 626 CB TYR A 39 13.283 0.517 -2.223 1.00 0.00 C ATOM 627 CG TYR A 39 12.643 0.970 -0.930 1.00 0.00 C ATOM 628 CD1 TYR A 39 12.251 2.291 -0.750 1.00 0.00 C ATOM 629 CD2 TYR A 39 12.429 0.076 0.112 1.00 0.00 C ATOM 630 CE1 TYR A 39 11.667 2.709 0.429 1.00 0.00 C ATOM 631 CE2 TYR A 39 11.845 0.485 1.295 1.00 0.00 C ATOM 632 CZ TYR A 39 11.466 1.802 1.449 1.00 0.00 C ATOM 633 OH TYR A 39 10.883 2.215 2.626 1.00 0.00 O ATOM 0 H TYR A 39 13.678 -0.745 -4.355 1.00 0.00 H new ATOM 0 HA TYR A 39 11.322 0.375 -3.092 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.642 -0.505 -2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.155 1.139 -2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.406 3.003 -1.547 1.00 0.00 H new ATOM 0 HD2 TYR A 39 12.724 -0.956 -0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.369 3.740 0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 39 11.686 -0.223 2.095 1.00 0.00 H new ATOM 0 HH TYR A 39 10.837 3.194 2.643 1.00 0.00 H new ATOM 643 N ASP A 40 13.260 2.149 -5.025 1.00 0.00 N ATOM 644 CA ASP A 40 13.397 3.432 -5.705 1.00 0.00 C ATOM 645 C ASP A 40 12.248 3.652 -6.684 1.00 0.00 C ATOM 646 O ASP A 40 12.024 4.769 -7.150 1.00 0.00 O ATOM 647 CB ASP A 40 14.734 3.502 -6.444 1.00 0.00 C ATOM 648 CG ASP A 40 15.096 2.189 -7.111 1.00 0.00 C ATOM 649 OD1 ASP A 40 14.682 1.979 -8.271 1.00 0.00 O ATOM 650 OD2 ASP A 40 15.794 1.373 -6.475 1.00 0.00 O ATOM 0 H ASP A 40 13.891 1.423 -5.364 1.00 0.00 H new ATOM 0 HA ASP A 40 13.366 4.220 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.689 4.289 -7.197 1.00 0.00 H new ATOM 0 HB3 ASP A 40 15.520 3.778 -5.741 1.00 0.00 H new ATOM 655 N GLN A 41 11.525 2.580 -6.992 1.00 0.00 N ATOM 656 CA GLN A 41 10.401 2.658 -7.918 1.00 0.00 C ATOM 657 C GLN A 41 9.077 2.702 -7.163 1.00 0.00 C ATOM 658 O GLN A 41 8.038 3.035 -7.732 1.00 0.00 O ATOM 659 CB GLN A 41 10.418 1.464 -8.874 1.00 0.00 C ATOM 660 CG GLN A 41 11.481 1.565 -9.956 1.00 0.00 C ATOM 661 CD GLN A 41 11.479 0.371 -10.889 1.00 0.00 C ATOM 662 OE1 GLN A 41 12.485 -0.327 -11.025 1.00 0.00 O ATOM 663 NE2 GLN A 41 10.347 0.128 -11.539 1.00 0.00 N ATOM 0 H GLN A 41 11.697 1.648 -6.614 1.00 0.00 H new ATOM 0 HA GLN A 41 10.500 3.578 -8.495 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.582 0.552 -8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.439 1.373 -9.345 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.319 2.474 -10.535 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.462 1.655 -9.489 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.537 0.732 -11.397 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.287 -0.663 -12.181 1.00 0.00 H new ATOM 672 N ALA A 42 9.122 2.362 -5.879 1.00 0.00 N ATOM 673 CA ALA A 42 7.925 2.365 -5.046 1.00 0.00 C ATOM 674 C ALA A 42 7.020 3.543 -5.389 1.00 0.00 C ATOM 675 O ALA A 42 7.477 4.555 -5.920 1.00 0.00 O ATOM 676 CB ALA A 42 8.308 2.401 -3.574 1.00 0.00 C ATOM 0 H ALA A 42 9.974 2.081 -5.393 1.00 0.00 H new ATOM 0 HA ALA A 42 7.372 1.447 -5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.405 2.403 -2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.908 1.523 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.886 3.303 -3.370 1.00 0.00 H new ATOM 682 N SER A 43 5.734 3.404 -5.083 1.00 0.00 N ATOM 683 CA SER A 43 4.764 4.456 -5.363 1.00 0.00 C ATOM 684 C SER A 43 3.802 4.634 -4.191 1.00 0.00 C ATOM 685 O SER A 43 3.460 3.672 -3.504 1.00 0.00 O ATOM 686 CB SER A 43 3.980 4.130 -6.635 1.00 0.00 C ATOM 687 OG SER A 43 3.425 5.302 -7.207 1.00 0.00 O ATOM 0 H SER A 43 5.340 2.573 -4.641 1.00 0.00 H new ATOM 0 HA SER A 43 5.309 5.389 -5.509 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.637 3.646 -7.357 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.184 3.422 -6.404 1.00 0.00 H new ATOM 0 HG SER A 43 2.930 5.067 -8.020 1.00 0.00 H new ATOM 693 N TRP A 44 3.371 5.870 -3.972 1.00 0.00 N ATOM 694 CA TRP A 44 2.449 6.176 -2.884 1.00 0.00 C ATOM 695 C TRP A 44 1.020 5.796 -3.258 1.00 0.00 C ATOM 696 O TRP A 44 0.560 6.088 -4.361 1.00 0.00 O ATOM 697 CB TRP A 44 2.518 7.663 -2.531 1.00 0.00 C ATOM 698 CG TRP A 44 3.613 7.993 -1.562 1.00 0.00 C ATOM 699 CD1 TRP A 44 4.848 8.493 -1.859 1.00 0.00 C ATOM 700 CD2 TRP A 44 3.571 7.843 -0.138 1.00 0.00 C ATOM 701 NE1 TRP A 44 5.577 8.664 -0.707 1.00 0.00 N ATOM 702 CE2 TRP A 44 4.815 8.274 0.363 1.00 0.00 C ATOM 703 CE3 TRP A 44 2.603 7.390 0.762 1.00 0.00 C ATOM 704 CZ2 TRP A 44 5.114 8.262 1.722 1.00 0.00 C ATOM 705 CZ3 TRP A 44 2.901 7.379 2.111 1.00 0.00 C ATOM 706 CH2 TRP A 44 4.148 7.813 2.581 1.00 0.00 C ATOM 0 H TRP A 44 3.645 6.677 -4.533 1.00 0.00 H new ATOM 0 HA TRP A 44 2.746 5.589 -2.015 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.665 8.240 -3.444 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.563 7.974 -2.108 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.201 8.721 -2.854 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.530 9.023 -0.656 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.639 7.054 0.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.075 8.595 2.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.160 7.030 2.815 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.350 7.793 3.642 1.00 0.00 H new ATOM 717 N GLU A 45 0.324 5.143 -2.332 1.00 0.00 N ATOM 718 CA GLU A 45 -1.052 4.724 -2.567 1.00 0.00 C ATOM 719 C GLU A 45 -1.945 5.102 -1.388 1.00 0.00 C ATOM 720 O GLU A 45 -1.682 4.718 -0.249 1.00 0.00 O ATOM 721 CB GLU A 45 -1.115 3.213 -2.804 1.00 0.00 C ATOM 722 CG GLU A 45 -0.115 2.718 -3.836 1.00 0.00 C ATOM 723 CD GLU A 45 -0.377 3.280 -5.219 1.00 0.00 C ATOM 724 OE1 GLU A 45 -1.277 4.135 -5.352 1.00 0.00 O ATOM 725 OE2 GLU A 45 0.319 2.865 -6.170 1.00 0.00 O ATOM 0 H GLU A 45 0.691 4.893 -1.413 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.415 5.240 -3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.936 2.698 -1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.121 2.946 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.892 2.992 -3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.150 1.629 -3.878 1.00 0.00 H new ATOM 732 N SER A 46 -3.001 5.857 -1.672 1.00 0.00 N ATOM 733 CA SER A 46 -3.931 6.291 -0.636 1.00 0.00 C ATOM 734 C SER A 46 -4.415 5.104 0.192 1.00 0.00 C ATOM 735 O SER A 46 -4.136 3.951 -0.136 1.00 0.00 O ATOM 736 CB SER A 46 -5.127 7.011 -1.263 1.00 0.00 C ATOM 737 OG SER A 46 -6.018 7.481 -0.268 1.00 0.00 O ATOM 0 H SER A 46 -3.234 6.181 -2.611 1.00 0.00 H new ATOM 0 HA SER A 46 -3.405 6.981 0.023 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.776 7.848 -1.866 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.653 6.332 -1.935 1.00 0.00 H new ATOM 0 HG SER A 46 -6.772 7.939 -0.694 1.00 0.00 H new ATOM 743 N GLU A 47 -5.141 5.397 1.266 1.00 0.00 N ATOM 744 CA GLU A 47 -5.663 4.354 2.141 1.00 0.00 C ATOM 745 C GLU A 47 -7.000 3.829 1.625 1.00 0.00 C ATOM 746 O GLU A 47 -7.738 3.160 2.349 1.00 0.00 O ATOM 747 CB GLU A 47 -5.828 4.889 3.566 1.00 0.00 C ATOM 748 CG GLU A 47 -6.889 5.970 3.691 1.00 0.00 C ATOM 749 CD GLU A 47 -7.321 6.199 5.126 1.00 0.00 C ATOM 750 OE1 GLU A 47 -7.580 5.203 5.833 1.00 0.00 O ATOM 751 OE2 GLU A 47 -7.400 7.374 5.542 1.00 0.00 O ATOM 0 H GLU A 47 -5.381 6.347 1.551 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.948 3.531 2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.084 4.062 4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.873 5.288 3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.503 6.902 3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.758 5.692 3.094 1.00 0.00 H new ATOM 758 N ASP A 48 -7.305 4.138 0.370 1.00 0.00 N ATOM 759 CA ASP A 48 -8.552 3.697 -0.244 1.00 0.00 C ATOM 760 C ASP A 48 -8.300 2.567 -1.237 1.00 0.00 C ATOM 761 O ASP A 48 -9.129 1.672 -1.399 1.00 0.00 O ATOM 762 CB ASP A 48 -9.239 4.868 -0.950 1.00 0.00 C ATOM 763 CG ASP A 48 -10.210 4.409 -2.020 1.00 0.00 C ATOM 764 OD1 ASP A 48 -9.776 4.229 -3.177 1.00 0.00 O ATOM 765 OD2 ASP A 48 -11.405 4.231 -1.701 1.00 0.00 O ATOM 0 H ASP A 48 -6.706 4.692 -0.242 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.204 3.324 0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.772 5.470 -0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.483 5.511 -1.401 1.00 0.00 H new ATOM 770 N VAL A 49 -7.149 2.614 -1.900 1.00 0.00 N ATOM 771 CA VAL A 49 -6.786 1.594 -2.877 1.00 0.00 C ATOM 772 C VAL A 49 -7.148 0.201 -2.376 1.00 0.00 C ATOM 773 O VAL A 49 -7.086 -0.074 -1.178 1.00 0.00 O ATOM 774 CB VAL A 49 -5.281 1.637 -3.201 1.00 0.00 C ATOM 775 CG1 VAL A 49 -4.967 2.801 -4.128 1.00 0.00 C ATOM 776 CG2 VAL A 49 -4.463 1.728 -1.921 1.00 0.00 C ATOM 0 H VAL A 49 -6.451 3.348 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.351 1.809 -3.784 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.011 0.713 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.899 2.815 -4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.525 2.687 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.251 3.737 -3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.402 1.757 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.734 2.634 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.666 0.858 -1.297 1.00 0.00 H new ATOM 786 N GLU A 50 -7.525 -0.676 -3.301 1.00 0.00 N ATOM 787 CA GLU A 50 -7.896 -2.042 -2.953 1.00 0.00 C ATOM 788 C GLU A 50 -6.824 -3.030 -3.404 1.00 0.00 C ATOM 789 O GLU A 50 -6.723 -3.354 -4.587 1.00 0.00 O ATOM 790 CB GLU A 50 -9.240 -2.406 -3.587 1.00 0.00 C ATOM 791 CG GLU A 50 -9.190 -2.509 -5.102 1.00 0.00 C ATOM 792 CD GLU A 50 -10.558 -2.374 -5.742 1.00 0.00 C ATOM 793 OE1 GLU A 50 -11.166 -1.290 -5.617 1.00 0.00 O ATOM 794 OE2 GLU A 50 -11.021 -3.351 -6.366 1.00 0.00 O ATOM 0 H GLU A 50 -7.581 -0.465 -4.297 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.986 -2.101 -1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.580 -3.357 -3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.980 -1.656 -3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.532 -1.733 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.755 -3.468 -5.383 1.00 0.00 H new ATOM 801 N ILE A 51 -6.026 -3.503 -2.452 1.00 0.00 N ATOM 802 CA ILE A 51 -4.962 -4.454 -2.751 1.00 0.00 C ATOM 803 C ILE A 51 -5.061 -5.687 -1.860 1.00 0.00 C ATOM 804 O ILE A 51 -5.743 -5.671 -0.836 1.00 0.00 O ATOM 805 CB ILE A 51 -3.572 -3.816 -2.574 1.00 0.00 C ATOM 806 CG1 ILE A 51 -3.508 -2.469 -3.297 1.00 0.00 C ATOM 807 CG2 ILE A 51 -2.490 -4.753 -3.090 1.00 0.00 C ATOM 808 CD1 ILE A 51 -2.473 -1.525 -2.727 1.00 0.00 C ATOM 0 H ILE A 51 -6.096 -3.243 -1.468 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.086 -4.751 -3.792 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.400 -3.644 -1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.289 -2.642 -4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.487 -1.993 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.513 -4.288 -2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.524 -5.690 -2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.657 -4.953 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.484 -0.591 -3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.702 -1.322 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.486 -1.981 -2.800 1.00 0.00 H new ATOM 820 N GLN A 52 -4.375 -6.754 -2.257 1.00 0.00 N ATOM 821 CA GLN A 52 -4.384 -7.996 -1.494 1.00 0.00 C ATOM 822 C GLN A 52 -3.845 -7.773 -0.085 1.00 0.00 C ATOM 823 O GLN A 52 -2.795 -7.156 0.098 1.00 0.00 O ATOM 824 CB GLN A 52 -3.554 -9.064 -2.207 1.00 0.00 C ATOM 825 CG GLN A 52 -4.041 -10.482 -1.955 1.00 0.00 C ATOM 826 CD GLN A 52 -5.325 -10.799 -2.696 1.00 0.00 C ATOM 827 OE1 GLN A 52 -6.163 -9.922 -2.912 1.00 0.00 O ATOM 828 NE2 GLN A 52 -5.487 -12.056 -3.090 1.00 0.00 N ATOM 0 H GLN A 52 -3.806 -6.783 -3.103 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.416 -8.339 -1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.570 -8.869 -3.279 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.516 -8.982 -1.883 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.267 -11.187 -2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.199 -10.623 -0.886 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.767 -12.750 -2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.332 -12.328 -3.593 1.00 0.00 H new ATOM 837 N ASP A 53 -4.569 -8.278 0.908 1.00 0.00 N ATOM 838 CA ASP A 53 -4.163 -8.134 2.301 1.00 0.00 C ATOM 839 C ASP A 53 -3.696 -6.711 2.587 1.00 0.00 C ATOM 840 O ASP A 53 -2.746 -6.498 3.341 1.00 0.00 O ATOM 841 CB ASP A 53 -3.048 -9.127 2.634 1.00 0.00 C ATOM 842 CG ASP A 53 -1.924 -9.097 1.617 1.00 0.00 C ATOM 843 OD1 ASP A 53 -1.004 -8.267 1.774 1.00 0.00 O ATOM 844 OD2 ASP A 53 -1.964 -9.904 0.665 1.00 0.00 O ATOM 0 H ASP A 53 -5.440 -8.791 0.774 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.028 -8.346 2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.647 -8.900 3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.464 -10.133 2.682 1.00 0.00 H new ATOM 849 N TYR A 54 -4.369 -5.740 1.980 1.00 0.00 N ATOM 850 CA TYR A 54 -4.020 -4.336 2.166 1.00 0.00 C ATOM 851 C TYR A 54 -4.427 -3.854 3.555 1.00 0.00 C ATOM 852 O TYR A 54 -3.699 -3.098 4.200 1.00 0.00 O ATOM 853 CB TYR A 54 -4.695 -3.475 1.097 1.00 0.00 C ATOM 854 CG TYR A 54 -4.221 -2.039 1.088 1.00 0.00 C ATOM 855 CD1 TYR A 54 -2.885 -1.726 1.301 1.00 0.00 C ATOM 856 CD2 TYR A 54 -5.111 -0.995 0.865 1.00 0.00 C ATOM 857 CE1 TYR A 54 -2.448 -0.416 1.295 1.00 0.00 C ATOM 858 CE2 TYR A 54 -4.683 0.318 0.856 1.00 0.00 C ATOM 859 CZ TYR A 54 -3.351 0.603 1.071 1.00 0.00 C ATOM 860 OH TYR A 54 -2.919 1.909 1.062 1.00 0.00 O ATOM 0 H TYR A 54 -5.159 -5.899 1.355 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.938 -4.240 2.070 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.510 -3.916 0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.773 -3.492 1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.175 -2.521 1.474 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.155 -1.214 0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.406 -0.190 1.465 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.388 1.117 0.681 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.564 2.464 0.576 1.00 0.00 H new ATOM 870 N ASP A 55 -5.594 -4.296 4.009 1.00 0.00 N ATOM 871 CA ASP A 55 -6.099 -3.912 5.322 1.00 0.00 C ATOM 872 C ASP A 55 -5.239 -4.511 6.431 1.00 0.00 C ATOM 873 O ASP A 55 -5.043 -3.895 7.480 1.00 0.00 O ATOM 874 CB ASP A 55 -7.551 -4.363 5.486 1.00 0.00 C ATOM 875 CG ASP A 55 -8.480 -3.698 4.489 1.00 0.00 C ATOM 876 OD1 ASP A 55 -8.072 -3.527 3.321 1.00 0.00 O ATOM 877 OD2 ASP A 55 -9.614 -3.350 4.876 1.00 0.00 O ATOM 0 H ASP A 55 -6.209 -4.921 3.487 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.054 -2.826 5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.608 -5.445 5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.887 -4.137 6.498 1.00 0.00 H new ATOM 882 N LEU A 56 -4.731 -5.715 6.194 1.00 0.00 N ATOM 883 CA LEU A 56 -3.892 -6.398 7.173 1.00 0.00 C ATOM 884 C LEU A 56 -2.571 -5.662 7.367 1.00 0.00 C ATOM 885 O LEU A 56 -2.164 -5.383 8.495 1.00 0.00 O ATOM 886 CB LEU A 56 -3.626 -7.838 6.729 1.00 0.00 C ATOM 887 CG LEU A 56 -4.832 -8.778 6.743 1.00 0.00 C ATOM 888 CD1 LEU A 56 -4.383 -10.224 6.605 1.00 0.00 C ATOM 889 CD2 LEU A 56 -5.642 -8.589 8.018 1.00 0.00 C ATOM 0 H LEU A 56 -4.885 -6.239 5.332 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.423 -6.409 8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.219 -7.816 5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.855 -8.259 7.374 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.468 -8.533 5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.255 -10.878 6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.847 -10.350 5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.725 -10.481 7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.496 -9.266 8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.015 -8.806 8.883 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.996 -7.560 8.075 1.00 0.00 H new ATOM 901 N PHE A 57 -1.907 -5.347 6.260 1.00 0.00 N ATOM 902 CA PHE A 57 -0.631 -4.641 6.309 1.00 0.00 C ATOM 903 C PHE A 57 -0.772 -3.315 7.051 1.00 0.00 C ATOM 904 O PHE A 57 -0.032 -3.038 7.996 1.00 0.00 O ATOM 905 CB PHE A 57 -0.108 -4.392 4.892 1.00 0.00 C ATOM 906 CG PHE A 57 0.613 -5.571 4.304 1.00 0.00 C ATOM 907 CD1 PHE A 57 0.001 -6.812 4.237 1.00 0.00 C ATOM 908 CD2 PHE A 57 1.904 -5.439 3.819 1.00 0.00 C ATOM 909 CE1 PHE A 57 0.661 -7.899 3.697 1.00 0.00 C ATOM 910 CE2 PHE A 57 2.570 -6.522 3.277 1.00 0.00 C ATOM 911 CZ PHE A 57 1.948 -7.754 3.217 1.00 0.00 C ATOM 0 H PHE A 57 -2.231 -5.569 5.318 1.00 0.00 H new ATOM 0 HA PHE A 57 0.082 -5.265 6.848 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.945 -4.129 4.245 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.565 -3.535 4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.005 -6.931 4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.396 -4.479 3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.171 -8.861 3.650 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.576 -6.405 2.901 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.467 -8.602 2.796 1.00 0.00 H new ATOM 921 N LYS A 58 -1.726 -2.499 6.617 1.00 0.00 N ATOM 922 CA LYS A 58 -1.965 -1.202 7.239 1.00 0.00 C ATOM 923 C LYS A 58 -2.162 -1.349 8.744 1.00 0.00 C ATOM 924 O LYS A 58 -1.644 -0.553 9.527 1.00 0.00 O ATOM 925 CB LYS A 58 -3.193 -0.533 6.616 1.00 0.00 C ATOM 926 CG LYS A 58 -3.136 -0.450 5.100 1.00 0.00 C ATOM 927 CD LYS A 58 -4.525 -0.501 4.487 1.00 0.00 C ATOM 928 CE LYS A 58 -5.108 0.893 4.311 1.00 0.00 C ATOM 929 NZ LYS A 58 -6.593 0.892 4.428 1.00 0.00 N ATOM 0 H LYS A 58 -2.347 -2.713 5.836 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.090 -0.576 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.085 -1.086 6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.294 0.473 7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.640 0.474 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.535 -1.273 4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.479 -1.002 3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.183 -1.094 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.685 1.561 5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.821 1.286 3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.991 1.620 3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.962 -0.041 4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.864 1.096 5.411 1.00 0.00 H new ATOM 943 N GLN A 59 -2.913 -2.371 9.141 1.00 0.00 N ATOM 944 CA GLN A 59 -3.177 -2.622 10.553 1.00 0.00 C ATOM 945 C GLN A 59 -1.900 -3.027 11.282 1.00 0.00 C ATOM 946 O GLN A 59 -1.704 -2.685 12.449 1.00 0.00 O ATOM 947 CB GLN A 59 -4.236 -3.714 10.710 1.00 0.00 C ATOM 948 CG GLN A 59 -4.394 -4.208 12.139 1.00 0.00 C ATOM 949 CD GLN A 59 -5.796 -4.705 12.433 1.00 0.00 C ATOM 950 OE1 GLN A 59 -6.604 -3.999 13.037 1.00 0.00 O ATOM 951 NE2 GLN A 59 -6.093 -5.927 12.006 1.00 0.00 N ATOM 0 H GLN A 59 -3.349 -3.039 8.505 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.550 -1.699 10.996 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.194 -3.332 10.358 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.975 -4.557 10.070 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.682 -5.012 12.322 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.147 -3.400 12.828 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.393 -6.478 11.509 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.021 -6.315 12.175 1.00 0.00 H new ATOM 960 N SER A 60 -1.033 -3.757 10.587 1.00 0.00 N ATOM 961 CA SER A 60 0.223 -4.212 11.170 1.00 0.00 C ATOM 962 C SER A 60 1.203 -3.052 11.323 1.00 0.00 C ATOM 963 O SER A 60 1.517 -2.634 12.438 1.00 0.00 O ATOM 964 CB SER A 60 0.845 -5.308 10.302 1.00 0.00 C ATOM 965 OG SER A 60 2.196 -5.539 10.663 1.00 0.00 O ATOM 0 H SER A 60 -1.178 -4.046 9.619 1.00 0.00 H new ATOM 0 HA SER A 60 0.010 -4.618 12.159 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.274 -6.230 10.410 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.790 -5.020 9.252 1.00 0.00 H new ATOM 0 HG SER A 60 2.570 -6.245 10.095 1.00 0.00 H new ATOM 971 N TYR A 61 1.681 -2.538 10.196 1.00 0.00 N ATOM 972 CA TYR A 61 2.627 -1.428 10.204 1.00 0.00 C ATOM 973 C TYR A 61 2.321 -0.459 11.342 1.00 0.00 C ATOM 974 O TYR A 61 3.222 -0.017 12.054 1.00 0.00 O ATOM 975 CB TYR A 61 2.588 -0.688 8.866 1.00 0.00 C ATOM 976 CG TYR A 61 3.310 0.640 8.886 1.00 0.00 C ATOM 977 CD1 TYR A 61 2.795 1.722 9.589 1.00 0.00 C ATOM 978 CD2 TYR A 61 4.507 0.813 8.203 1.00 0.00 C ATOM 979 CE1 TYR A 61 3.452 2.938 9.611 1.00 0.00 C ATOM 980 CE2 TYR A 61 5.171 2.024 8.220 1.00 0.00 C ATOM 981 CZ TYR A 61 4.639 3.083 8.925 1.00 0.00 C ATOM 982 OH TYR A 61 5.297 4.292 8.943 1.00 0.00 O ATOM 0 H TYR A 61 1.430 -2.872 9.265 1.00 0.00 H new ATOM 0 HA TYR A 61 3.626 -1.837 10.357 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.031 -1.321 8.097 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.549 -0.522 8.582 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.865 1.611 10.128 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.926 -0.014 7.649 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.038 3.769 10.162 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.101 2.141 7.684 1.00 0.00 H new ATOM 0 HH TYR A 61 6.117 4.226 8.411 1.00 0.00 H new ATOM 992 N TRP A 62 1.044 -0.136 11.507 1.00 0.00 N ATOM 993 CA TRP A 62 0.617 0.780 12.559 1.00 0.00 C ATOM 994 C TRP A 62 0.993 0.241 13.935 1.00 0.00 C ATOM 995 O TRP A 62 1.843 0.805 14.622 1.00 0.00 O ATOM 996 CB TRP A 62 -0.893 1.010 12.482 1.00 0.00 C ATOM 997 CG TRP A 62 -1.277 2.132 11.566 1.00 0.00 C ATOM 998 CD1 TRP A 62 -2.185 2.083 10.546 1.00 0.00 C ATOM 999 CD2 TRP A 62 -0.763 3.468 11.584 1.00 0.00 C ATOM 1000 NE1 TRP A 62 -2.266 3.309 9.930 1.00 0.00 N ATOM 1001 CE2 TRP A 62 -1.404 4.176 10.549 1.00 0.00 C ATOM 1002 CE3 TRP A 62 0.175 4.136 12.376 1.00 0.00 C ATOM 1003 CZ2 TRP A 62 -1.135 5.516 10.286 1.00 0.00 C ATOM 1004 CZ3 TRP A 62 0.441 5.467 12.114 1.00 0.00 C ATOM 1005 CH2 TRP A 62 -0.212 6.146 11.077 1.00 0.00 C ATOM 0 H TRP A 62 0.286 -0.494 10.926 1.00 0.00 H new ATOM 0 HA TRP A 62 1.129 1.730 12.409 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -1.376 0.093 12.144 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -1.273 1.221 13.482 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -2.755 1.210 10.265 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -2.870 3.537 9.140 1.00 0.00 H new ATOM 0 HE3 TRP A 62 0.683 3.622 13.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.637 6.040 9.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 1.165 5.993 12.719 1.00 0.00 H new ATOM 0 HH2 TRP A 62 0.017 7.186 10.898 1.00 0.00 H new ATOM 1016 N ASN A 63 0.353 -0.854 14.332 1.00 0.00 N ATOM 1017 CA ASN A 63 0.620 -1.469 15.627 1.00 0.00 C ATOM 1018 C ASN A 63 2.117 -1.486 15.922 1.00 0.00 C ATOM 1019 O ASN A 63 2.561 -0.997 16.962 1.00 0.00 O ATOM 1020 CB ASN A 63 0.066 -2.895 15.662 1.00 0.00 C ATOM 1021 CG ASN A 63 -1.391 -2.938 16.080 1.00 0.00 C ATOM 1022 OD1 ASN A 63 -1.746 -3.581 17.068 1.00 0.00 O ATOM 1023 ND2 ASN A 63 -2.244 -2.253 15.326 1.00 0.00 N ATOM 0 H ASN A 63 -0.354 -1.334 13.775 1.00 0.00 H new ATOM 0 HA ASN A 63 0.123 -0.874 16.393 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.172 -3.348 14.676 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.658 -3.495 16.353 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.237 -2.246 15.557 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.905 -1.734 14.516 1.00 0.00 H new ATOM 1030 N HIS A 64 2.890 -2.051 15.001 1.00 0.00 N ATOM 1031 CA HIS A 64 4.337 -2.131 15.162 1.00 0.00 C ATOM 1032 C HIS A 64 5.052 -1.463 13.991 1.00 0.00 C ATOM 1033 O HIS A 64 5.117 -2.017 12.893 1.00 0.00 O ATOM 1034 CB HIS A 64 4.779 -3.590 15.279 1.00 0.00 C ATOM 1035 CG HIS A 64 4.529 -4.185 16.630 1.00 0.00 C ATOM 1036 ND1 HIS A 64 5.357 -5.127 17.203 1.00 0.00 N ATOM 1037 CD2 HIS A 64 3.536 -3.967 17.523 1.00 0.00 C ATOM 1038 CE1 HIS A 64 4.883 -5.464 18.389 1.00 0.00 C ATOM 1039 NE2 HIS A 64 3.779 -4.773 18.608 1.00 0.00 N ATOM 0 H HIS A 64 2.539 -2.460 14.135 1.00 0.00 H new ATOM 0 HA HIS A 64 4.605 -1.604 16.077 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.255 -4.181 14.528 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.843 -3.658 15.052 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.706 -3.286 17.404 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.323 -6.182 19.065 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.201 -4.829 19.447 1.00 0.00 H new