USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 479 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 22 ASN : amide:sc= -4.26! C(o=-13!,f=-21!) USER MOD Set 1.2: A 44 ASN : amide:sc= -2.62 K(o=-13,f=-18!) USER MOD Set 1.3: A 45 ASN : amide:sc= -6.2! C(o=-13!,f=-17!) USER MOD Set 2.1: A 31 THR OG1 : rot -100:sc= -0.0758 USER MOD Set 2.2: A 37 GLN : amide:sc= -6.62! C(o=-6.7!,f=-6.7!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00646 USER MOD Single : A 17 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.12) USER MOD Single : A 24 LYS NZ :NH3+ -145:sc= -0.24 (180deg=-2.43) USER MOD Single : A 25 HIS : no HD1:sc= -3.06 X(o=-3.1,f=-3.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0153 K(o=-0.015,f=-0.88) USER MOD Single : A 33 ASN : amide:sc=-0.00447 X(o=-0.0045,f=-0.28) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= -0.0146 (180deg=-0.401) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.43) USER MOD Single : A 61 TYR OH : rot 150:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N PRO A 10 -6.361 -8.060 -5.439 1.00 0.00 N ATOM 152 CA PRO A 10 -4.958 -8.519 -5.422 1.00 0.00 C ATOM 153 C PRO A 10 -4.314 -8.421 -4.042 1.00 0.00 C ATOM 154 O PRO A 10 -3.729 -9.382 -3.543 1.00 0.00 O ATOM 155 CB PRO A 10 -4.283 -7.567 -6.399 1.00 0.00 C ATOM 156 CG PRO A 10 -5.131 -6.303 -6.448 1.00 0.00 C ATOM 157 CD PRO A 10 -6.512 -6.653 -5.889 1.00 0.00 C ATOM 0 HA PRO A 10 -4.869 -9.573 -5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.268 -7.338 -6.075 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.207 -8.019 -7.388 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.670 -5.509 -5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.213 -5.936 -7.471 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.789 -5.996 -5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.288 -6.556 -6.648 1.00 0.00 H new ATOM 165 N CYS A 11 -4.424 -7.245 -3.436 1.00 0.00 N ATOM 166 CA CYS A 11 -3.843 -7.021 -2.113 1.00 0.00 C ATOM 167 C CYS A 11 -4.448 -7.975 -1.088 1.00 0.00 C ATOM 168 O CYS A 11 -5.603 -8.386 -1.198 1.00 0.00 O ATOM 169 CB CYS A 11 -4.082 -5.582 -1.652 1.00 0.00 C ATOM 170 SG CYS A 11 -2.824 -4.496 -2.373 1.00 0.00 S ATOM 0 H CYS A 11 -4.905 -6.437 -3.833 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.771 -7.204 -2.190 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.077 -5.253 -1.953 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.044 -5.527 -0.564 1.00 0.00 H new ATOM 175 N ARG A 12 -3.645 -8.311 -0.087 1.00 0.00 N ATOM 176 CA ARG A 12 -4.084 -9.213 0.974 1.00 0.00 C ATOM 177 C ARG A 12 -3.426 -8.818 2.290 1.00 0.00 C ATOM 178 O ARG A 12 -4.086 -8.673 3.319 1.00 0.00 O ATOM 179 CB ARG A 12 -3.711 -10.660 0.644 1.00 0.00 C ATOM 180 CG ARG A 12 -4.230 -11.018 -0.750 1.00 0.00 C ATOM 181 CD ARG A 12 -3.842 -12.459 -1.085 1.00 0.00 C ATOM 182 NE ARG A 12 -4.670 -12.978 -2.169 1.00 0.00 N ATOM 183 CZ ARG A 12 -4.513 -14.221 -2.617 1.00 0.00 C ATOM 184 NH1 ARG A 12 -4.977 -15.227 -1.926 1.00 0.00 N ATOM 185 NH2 ARG A 12 -3.896 -14.435 -3.746 1.00 0.00 N ATOM 0 H ARG A 12 -2.688 -7.974 0.014 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.168 -9.137 1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.629 -10.785 0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.138 -11.335 1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.313 -10.904 -0.786 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.813 -10.336 -1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.791 -12.501 -1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.956 -13.086 -0.201 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.380 -12.379 -2.590 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.460 -15.060 -1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.857 -16.180 -2.269 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.534 -13.649 -4.286 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.776 -15.388 -4.089 1.00 0.00 H new ATOM 199 N PHE A 13 -2.113 -8.633 2.234 1.00 0.00 N ATOM 200 CA PHE A 13 -1.351 -8.237 3.414 1.00 0.00 C ATOM 201 C PHE A 13 -0.691 -6.886 3.167 1.00 0.00 C ATOM 202 O PHE A 13 -0.146 -6.634 2.093 1.00 0.00 O ATOM 203 CB PHE A 13 -0.270 -9.271 3.734 1.00 0.00 C ATOM 204 CG PHE A 13 -0.899 -10.639 3.848 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.735 -10.937 4.931 1.00 0.00 C ATOM 206 CD2 PHE A 13 -0.646 -11.610 2.872 1.00 0.00 C ATOM 207 CE1 PHE A 13 -2.318 -12.205 5.037 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.229 -12.878 2.978 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.065 -13.175 4.061 1.00 0.00 C ATOM 0 H PHE A 13 -1.555 -8.750 1.388 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.036 -8.170 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.490 -9.272 2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.232 -9.011 4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.930 -10.188 5.685 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.001 -11.381 2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.963 -12.435 5.872 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.034 -13.627 2.225 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.515 -14.153 4.143 1.00 0.00 H new ATOM 219 N PHE A 14 -0.758 -6.011 4.166 1.00 0.00 N ATOM 220 CA PHE A 14 -0.172 -4.682 4.030 1.00 0.00 C ATOM 221 C PHE A 14 1.055 -4.527 4.914 1.00 0.00 C ATOM 222 O PHE A 14 1.026 -4.827 6.107 1.00 0.00 O ATOM 223 CB PHE A 14 -1.188 -3.607 4.410 1.00 0.00 C ATOM 224 CG PHE A 14 -2.111 -3.365 3.246 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.922 -4.398 2.764 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.148 -2.107 2.645 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.772 -4.167 1.678 1.00 0.00 C ATOM 228 CE2 PHE A 14 -2.997 -1.873 1.560 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.811 -2.903 1.074 1.00 0.00 C ATOM 0 H PHE A 14 -1.205 -6.194 5.065 1.00 0.00 H new ATOM 0 HA PHE A 14 0.121 -4.563 2.987 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.759 -3.922 5.283 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.675 -2.684 4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.892 -5.372 3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.519 -1.312 3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.399 -4.963 1.304 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.025 -0.898 1.097 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.468 -2.724 0.235 1.00 0.00 H new ATOM 239 N GLU A 15 2.136 -4.039 4.312 1.00 0.00 N ATOM 240 CA GLU A 15 3.374 -3.829 5.053 1.00 0.00 C ATOM 241 C GLU A 15 3.490 -2.365 5.473 1.00 0.00 C ATOM 242 O GLU A 15 4.192 -1.575 4.844 1.00 0.00 O ATOM 243 CB GLU A 15 4.583 -4.206 4.195 1.00 0.00 C ATOM 244 CG GLU A 15 5.829 -4.296 5.079 1.00 0.00 C ATOM 245 CD GLU A 15 5.900 -5.677 5.721 1.00 0.00 C ATOM 246 OE1 GLU A 15 5.103 -5.939 6.606 1.00 0.00 O ATOM 247 OE2 GLU A 15 6.749 -6.454 5.316 1.00 0.00 O ATOM 0 H GLU A 15 2.180 -3.784 3.325 1.00 0.00 H new ATOM 0 HA GLU A 15 3.355 -4.463 5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.407 -5.160 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.733 -3.463 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.724 -4.114 4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.797 -3.526 5.850 1.00 0.00 H new ATOM 254 N SER A 16 2.785 -2.009 6.546 1.00 0.00 N ATOM 255 CA SER A 16 2.811 -0.633 7.044 1.00 0.00 C ATOM 256 C SER A 16 4.235 -0.215 7.406 1.00 0.00 C ATOM 257 O SER A 16 4.585 0.964 7.340 1.00 0.00 O ATOM 258 CB SER A 16 1.921 -0.493 8.280 1.00 0.00 C ATOM 259 OG SER A 16 2.157 -1.587 9.156 1.00 0.00 O ATOM 0 H SER A 16 2.195 -2.645 7.082 1.00 0.00 H new ATOM 0 HA SER A 16 2.437 0.014 6.251 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.132 0.447 8.789 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.872 -0.468 7.986 1.00 0.00 H new ATOM 0 HG SER A 16 1.589 -1.499 9.950 1.00 0.00 H new ATOM 265 N HIS A 17 5.055 -1.194 7.785 1.00 0.00 N ATOM 266 CA HIS A 17 6.444 -0.918 8.151 1.00 0.00 C ATOM 267 C HIS A 17 7.197 -0.246 6.998 1.00 0.00 C ATOM 268 O HIS A 17 8.225 0.396 7.209 1.00 0.00 O ATOM 269 CB HIS A 17 7.165 -2.215 8.523 1.00 0.00 C ATOM 270 CG HIS A 17 6.928 -2.521 9.977 1.00 0.00 C ATOM 271 ND1 HIS A 17 6.766 -3.816 10.443 1.00 0.00 N ATOM 272 CD2 HIS A 17 6.823 -1.709 11.079 1.00 0.00 C ATOM 273 CE1 HIS A 17 6.574 -3.746 11.773 1.00 0.00 C ATOM 274 NE2 HIS A 17 6.599 -2.486 12.213 1.00 0.00 N ATOM 0 H HIS A 17 4.786 -2.176 7.847 1.00 0.00 H new ATOM 0 HA HIS A 17 6.429 -0.244 9.007 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.803 -3.036 7.904 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.233 -2.118 8.330 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.902 -0.632 11.068 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.418 -4.606 12.408 1.00 0.00 H new ATOM 0 HE2 HIS A 17 6.480 -2.162 13.173 1.00 0.00 H new ATOM 282 N VAL A 18 6.677 -0.401 5.776 1.00 0.00 N ATOM 283 CA VAL A 18 7.305 0.191 4.597 1.00 0.00 C ATOM 284 C VAL A 18 7.541 1.689 4.795 1.00 0.00 C ATOM 285 O VAL A 18 6.898 2.340 5.620 1.00 0.00 O ATOM 286 CB VAL A 18 6.415 -0.034 3.360 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.022 0.640 2.122 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.296 -1.534 3.099 1.00 0.00 C ATOM 0 H VAL A 18 5.827 -0.929 5.581 1.00 0.00 H new ATOM 0 HA VAL A 18 8.270 -0.293 4.446 1.00 0.00 H new ATOM 0 HB VAL A 18 5.434 0.401 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.377 0.468 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.113 1.712 2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.008 0.220 1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.667 -1.702 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.287 -1.952 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.849 -2.020 3.966 1.00 0.00 H new ATOM 298 N ALA A 19 8.474 2.212 4.015 1.00 0.00 N ATOM 299 CA ALA A 19 8.817 3.625 4.073 1.00 0.00 C ATOM 300 C ALA A 19 9.256 4.101 2.695 1.00 0.00 C ATOM 301 O ALA A 19 9.991 3.409 1.991 1.00 0.00 O ATOM 302 CB ALA A 19 9.946 3.866 5.073 1.00 0.00 C ATOM 0 H ALA A 19 9.009 1.677 3.331 1.00 0.00 H new ATOM 0 HA ALA A 19 7.937 4.181 4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.187 4.929 5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.630 3.540 6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.828 3.302 4.769 1.00 0.00 H new ATOM 308 N ARG A 20 8.788 5.290 2.314 1.00 0.00 N ATOM 309 CA ARG A 20 9.114 5.879 1.004 1.00 0.00 C ATOM 310 C ARG A 20 10.591 5.699 0.635 1.00 0.00 C ATOM 311 O ARG A 20 10.941 5.612 -0.543 1.00 0.00 O ATOM 312 CB ARG A 20 8.785 7.369 1.004 1.00 0.00 C ATOM 313 CG ARG A 20 8.424 7.813 -0.415 1.00 0.00 C ATOM 314 CD ARG A 20 7.957 9.269 -0.391 1.00 0.00 C ATOM 315 NE ARG A 20 9.076 10.166 -0.114 1.00 0.00 N ATOM 316 CZ ARG A 20 8.872 11.386 0.373 1.00 0.00 C ATOM 317 NH1 ARG A 20 8.443 11.537 1.597 1.00 0.00 N ATOM 318 NH2 ARG A 20 9.103 12.432 -0.371 1.00 0.00 N ATOM 0 H ARG A 20 8.180 5.870 2.892 1.00 0.00 H new ATOM 0 HA ARG A 20 8.512 5.354 0.262 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.954 7.569 1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.638 7.941 1.369 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.288 7.708 -1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.638 7.175 -0.818 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.506 9.527 -1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.186 9.396 0.369 1.00 0.00 H new ATOM 0 HE ARG A 20 10.029 9.851 -0.297 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.264 10.719 2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.286 12.473 1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.440 12.314 -1.326 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.946 13.368 0.003 1.00 0.00 H new ATOM 332 N ALA A 21 11.450 5.644 1.648 1.00 0.00 N ATOM 333 CA ALA A 21 12.882 5.473 1.412 1.00 0.00 C ATOM 334 C ALA A 21 13.159 4.162 0.681 1.00 0.00 C ATOM 335 O ALA A 21 13.675 4.153 -0.437 1.00 0.00 O ATOM 336 CB ALA A 21 13.647 5.475 2.737 1.00 0.00 C ATOM 0 H ALA A 21 11.185 5.714 2.630 1.00 0.00 H new ATOM 0 HA ALA A 21 13.218 6.306 0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.712 5.347 2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.484 6.423 3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.291 4.657 3.364 1.00 0.00 H new ATOM 342 N ASN A 22 12.814 3.054 1.328 1.00 0.00 N ATOM 343 CA ASN A 22 13.031 1.736 0.742 1.00 0.00 C ATOM 344 C ASN A 22 12.022 1.434 -0.371 1.00 0.00 C ATOM 345 O ASN A 22 12.160 0.439 -1.082 1.00 0.00 O ATOM 346 CB ASN A 22 12.928 0.656 1.819 1.00 0.00 C ATOM 347 CG ASN A 22 11.566 0.732 2.501 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.283 1.680 3.234 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.698 -0.223 2.302 1.00 0.00 N ATOM 0 H ASN A 22 12.385 3.042 2.253 1.00 0.00 H new ATOM 0 HA ASN A 22 14.031 1.736 0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.067 -0.329 1.373 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.721 0.787 2.555 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.784 -0.184 2.754 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.934 -1.008 1.695 1.00 0.00 H new ATOM 356 N VAL A 23 11.015 2.295 -0.534 1.00 0.00 N ATOM 357 CA VAL A 23 10.026 2.078 -1.585 1.00 0.00 C ATOM 358 C VAL A 23 10.628 2.471 -2.931 1.00 0.00 C ATOM 359 O VAL A 23 11.273 3.512 -3.060 1.00 0.00 O ATOM 360 CB VAL A 23 8.761 2.903 -1.323 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.694 2.565 -2.369 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.217 2.583 0.078 1.00 0.00 C ATOM 0 H VAL A 23 10.866 3.129 0.034 1.00 0.00 H new ATOM 0 HA VAL A 23 9.750 1.023 -1.595 1.00 0.00 H new ATOM 0 HB VAL A 23 9.008 3.963 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.797 3.154 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.074 2.796 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.450 1.504 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.318 3.171 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.976 1.522 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.971 2.829 0.826 1.00 0.00 H new ATOM 372 N LYS A 24 10.424 1.617 -3.926 1.00 0.00 N ATOM 373 CA LYS A 24 10.967 1.869 -5.259 1.00 0.00 C ATOM 374 C LYS A 24 9.981 2.670 -6.101 1.00 0.00 C ATOM 375 O LYS A 24 10.323 3.717 -6.651 1.00 0.00 O ATOM 376 CB LYS A 24 11.272 0.543 -5.966 1.00 0.00 C ATOM 377 CG LYS A 24 11.965 0.811 -7.306 1.00 0.00 C ATOM 378 CD LYS A 24 13.371 1.359 -7.057 1.00 0.00 C ATOM 379 CE LYS A 24 14.311 0.870 -8.161 1.00 0.00 C ATOM 380 NZ LYS A 24 14.501 -0.603 -8.036 1.00 0.00 N ATOM 0 H LYS A 24 9.892 0.751 -3.839 1.00 0.00 H new ATOM 0 HA LYS A 24 11.887 2.443 -5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.909 -0.077 -5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.348 -0.012 -6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.020 -0.109 -7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.384 1.524 -7.891 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.350 2.449 -7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.734 1.030 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.897 1.112 -9.140 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.272 1.379 -8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.474 -0.852 -8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.331 -0.893 -7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.831 -1.094 -8.662 1.00 0.00 H new ATOM 394 N HIS A 25 8.758 2.164 -6.206 1.00 0.00 N ATOM 395 CA HIS A 25 7.739 2.849 -6.997 1.00 0.00 C ATOM 396 C HIS A 25 6.355 2.618 -6.407 1.00 0.00 C ATOM 397 O HIS A 25 6.154 1.722 -5.587 1.00 0.00 O ATOM 398 CB HIS A 25 7.754 2.344 -8.441 1.00 0.00 C ATOM 399 CG HIS A 25 9.016 2.802 -9.118 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.439 4.121 -9.080 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.958 2.126 -9.856 1.00 0.00 C ATOM 402 CE1 HIS A 25 10.590 4.197 -9.774 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.950 3.010 -10.269 1.00 0.00 N ATOM 0 H HIS A 25 8.450 1.298 -5.763 1.00 0.00 H new ATOM 0 HA HIS A 25 7.965 3.915 -6.981 1.00 0.00 H new ATOM 0 HB2 HIS A 25 7.694 1.256 -8.458 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.883 2.720 -8.978 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.932 1.070 -10.081 1.00 0.00 H new ATOM 0 HE1 HIS A 25 11.154 5.107 -9.914 1.00 0.00 H new ATOM 0 HE2 HIS A 25 11.775 2.797 -10.830 1.00 0.00 H new ATOM 411 N LEU A 26 5.399 3.438 -6.836 1.00 0.00 N ATOM 412 CA LEU A 26 4.032 3.313 -6.345 1.00 0.00 C ATOM 413 C LEU A 26 3.080 2.952 -7.475 1.00 0.00 C ATOM 414 O LEU A 26 3.222 3.411 -8.608 1.00 0.00 O ATOM 415 CB LEU A 26 3.546 4.620 -5.719 1.00 0.00 C ATOM 416 CG LEU A 26 3.962 4.709 -4.246 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.471 6.038 -3.667 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.335 3.557 -3.455 1.00 0.00 C ATOM 0 H LEU A 26 5.544 4.186 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 26 4.039 2.524 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.957 5.466 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.461 4.685 -5.799 1.00 0.00 H new ATOM 0 HG LEU A 26 5.048 4.646 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.763 6.109 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.915 6.863 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.385 6.090 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.635 3.628 -2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.249 3.616 -3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.674 2.606 -3.867 1.00 0.00 H new ATOM 430 N LYS A 27 2.095 2.138 -7.133 1.00 0.00 N ATOM 431 CA LYS A 27 1.082 1.716 -8.097 1.00 0.00 C ATOM 432 C LYS A 27 -0.232 1.449 -7.368 1.00 0.00 C ATOM 433 O LYS A 27 -0.238 1.193 -6.168 1.00 0.00 O ATOM 434 CB LYS A 27 1.526 0.444 -8.827 1.00 0.00 C ATOM 435 CG LYS A 27 2.200 0.819 -10.149 1.00 0.00 C ATOM 436 CD LYS A 27 3.142 -0.308 -10.580 1.00 0.00 C ATOM 437 CE LYS A 27 2.372 -1.320 -11.430 1.00 0.00 C ATOM 438 NZ LYS A 27 3.335 -2.221 -12.123 1.00 0.00 N ATOM 0 H LYS A 27 1.972 1.754 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 27 0.946 2.511 -8.831 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.217 -0.123 -8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.666 -0.198 -9.015 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.446 0.991 -10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.757 1.749 -10.034 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.978 0.100 -11.149 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.563 -0.800 -9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.700 -1.903 -10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.753 -0.800 -12.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.812 -2.909 -12.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.959 -1.657 -12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.908 -2.726 -11.417 1.00 0.00 H new ATOM 452 N ILE A 28 -1.344 1.519 -8.095 1.00 0.00 N ATOM 453 CA ILE A 28 -2.646 1.286 -7.485 1.00 0.00 C ATOM 454 C ILE A 28 -3.543 0.486 -8.427 1.00 0.00 C ATOM 455 O ILE A 28 -3.438 0.588 -9.648 1.00 0.00 O ATOM 456 CB ILE A 28 -3.326 2.617 -7.158 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.384 3.476 -6.312 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.613 2.353 -6.377 1.00 0.00 C ATOM 459 CD1 ILE A 28 -1.575 4.398 -7.225 1.00 0.00 C ATOM 0 H ILE A 28 -1.369 1.732 -9.092 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.492 0.720 -6.566 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.563 3.141 -8.084 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.957 4.066 -5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.714 2.839 -5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.098 3.301 -6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.284 1.740 -6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.376 1.829 -5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.904 5.010 -6.622 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.991 3.798 -7.922 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.253 5.044 -7.782 1.00 0.00 H new ATOM 471 N LEU A 29 -4.434 -0.306 -7.836 1.00 0.00 N ATOM 472 CA LEU A 29 -5.359 -1.117 -8.621 1.00 0.00 C ATOM 473 C LEU A 29 -6.797 -0.756 -8.266 1.00 0.00 C ATOM 474 O LEU A 29 -7.233 -0.929 -7.128 1.00 0.00 O ATOM 475 CB LEU A 29 -5.137 -2.611 -8.348 1.00 0.00 C ATOM 476 CG LEU A 29 -3.930 -3.134 -9.143 1.00 0.00 C ATOM 477 CD1 LEU A 29 -4.177 -2.962 -10.645 1.00 0.00 C ATOM 478 CD2 LEU A 29 -2.667 -2.366 -8.742 1.00 0.00 C ATOM 0 H LEU A 29 -4.535 -0.403 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.176 -0.916 -9.676 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.974 -2.771 -7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.030 -3.173 -8.622 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.795 -4.192 -8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.317 -3.335 -11.200 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.066 -3.522 -10.934 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.324 -1.906 -10.871 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.816 -2.743 -9.310 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.803 -1.305 -8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.481 -2.502 -7.677 1.00 0.00 H new ATOM 490 N ASN A 30 -7.527 -0.251 -9.254 1.00 0.00 N ATOM 491 CA ASN A 30 -8.918 0.136 -9.037 1.00 0.00 C ATOM 492 C ASN A 30 -9.841 -1.071 -9.202 1.00 0.00 C ATOM 493 O ASN A 30 -10.743 -1.083 -10.041 1.00 0.00 O ATOM 494 CB ASN A 30 -9.328 1.232 -10.027 1.00 0.00 C ATOM 495 CG ASN A 30 -10.578 1.938 -9.517 1.00 0.00 C ATOM 496 OD1 ASN A 30 -10.574 2.515 -8.429 1.00 0.00 O ATOM 497 ND2 ASN A 30 -11.662 1.927 -10.244 1.00 0.00 N ATOM 0 H ASN A 30 -7.185 -0.101 -10.203 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.010 0.519 -8.020 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.516 1.949 -10.148 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.518 0.797 -11.008 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.504 2.396 -9.911 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.667 1.450 -11.145 1.00 0.00 H new ATOM 504 N THR A 31 -9.605 -2.090 -8.380 1.00 0.00 N ATOM 505 CA THR A 31 -10.415 -3.302 -8.426 1.00 0.00 C ATOM 506 C THR A 31 -11.869 -2.968 -8.070 1.00 0.00 C ATOM 507 O THR A 31 -12.116 -2.095 -7.238 1.00 0.00 O ATOM 508 CB THR A 31 -9.873 -4.330 -7.427 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.486 -4.098 -7.215 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.071 -5.744 -7.973 1.00 0.00 C ATOM 0 H THR A 31 -8.864 -2.100 -7.679 1.00 0.00 H new ATOM 0 HA THR A 31 -10.372 -3.718 -9.433 1.00 0.00 H new ATOM 0 HB THR A 31 -10.412 -4.230 -6.485 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.963 -4.732 -7.749 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.683 -6.468 -7.257 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.133 -5.926 -8.134 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.538 -5.847 -8.918 1.00 0.00 H new ATOM 518 N PRO A 32 -12.853 -3.647 -8.684 1.00 0.00 N ATOM 519 CA PRO A 32 -14.277 -3.385 -8.397 1.00 0.00 C ATOM 520 C PRO A 32 -14.727 -4.023 -7.088 1.00 0.00 C ATOM 521 O PRO A 32 -15.511 -3.446 -6.336 1.00 0.00 O ATOM 522 CB PRO A 32 -14.989 -4.006 -9.593 1.00 0.00 C ATOM 523 CG PRO A 32 -14.055 -5.057 -10.166 1.00 0.00 C ATOM 524 CD PRO A 32 -12.639 -4.718 -9.692 1.00 0.00 C ATOM 0 HA PRO A 32 -14.491 -2.324 -8.270 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.935 -4.455 -9.289 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.222 -3.247 -10.340 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.345 -6.052 -9.829 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.104 -5.062 -11.255 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.144 -5.586 -9.256 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.013 -4.374 -10.515 1.00 0.00 H new ATOM 532 N ASN A 33 -14.205 -5.214 -6.818 1.00 0.00 N ATOM 533 CA ASN A 33 -14.540 -5.919 -5.589 1.00 0.00 C ATOM 534 C ASN A 33 -14.085 -5.104 -4.377 1.00 0.00 C ATOM 535 O ASN A 33 -14.690 -5.162 -3.307 1.00 0.00 O ATOM 536 CB ASN A 33 -13.865 -7.290 -5.554 1.00 0.00 C ATOM 537 CG ASN A 33 -14.358 -8.130 -6.728 1.00 0.00 C ATOM 538 OD1 ASN A 33 -15.561 -8.225 -6.970 1.00 0.00 O ATOM 539 ND2 ASN A 33 -13.491 -8.752 -7.479 1.00 0.00 N ATOM 0 H ASN A 33 -13.554 -5.707 -7.429 1.00 0.00 H new ATOM 0 HA ASN A 33 -15.621 -6.053 -5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.782 -7.175 -5.604 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.089 -7.793 -4.614 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.810 -9.317 -8.266 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.494 -8.674 -7.279 1.00 0.00 H new ATOM 546 N CYS A 34 -13.010 -4.337 -4.567 1.00 0.00 N ATOM 547 CA CYS A 34 -12.475 -3.502 -3.497 1.00 0.00 C ATOM 548 C CYS A 34 -12.641 -2.028 -3.859 1.00 0.00 C ATOM 549 O CYS A 34 -13.221 -1.693 -4.892 1.00 0.00 O ATOM 550 CB CYS A 34 -10.989 -3.799 -3.280 1.00 0.00 C ATOM 551 SG CYS A 34 -10.804 -5.401 -2.455 1.00 0.00 S ATOM 0 H CYS A 34 -12.497 -4.279 -5.447 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.023 -3.722 -2.581 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.466 -3.809 -4.236 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.535 -3.013 -2.676 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.542 -5.652 -2.274 1.00 0.00 H new ATOM 556 N ALA A 35 -12.129 -1.147 -3.003 1.00 0.00 N ATOM 557 CA ALA A 35 -12.235 0.287 -3.254 1.00 0.00 C ATOM 558 C ALA A 35 -10.951 0.820 -3.898 1.00 0.00 C ATOM 559 O ALA A 35 -10.888 1.009 -5.112 1.00 0.00 O ATOM 560 CB ALA A 35 -12.515 1.043 -1.951 1.00 0.00 C ATOM 0 H ALA A 35 -11.643 -1.396 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.066 0.448 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.591 2.110 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.452 0.690 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.702 0.867 -1.246 1.00 0.00 H new ATOM 566 N LEU A 36 -9.934 1.059 -3.072 1.00 0.00 N ATOM 567 CA LEU A 36 -8.657 1.573 -3.567 1.00 0.00 C ATOM 568 C LEU A 36 -7.504 0.931 -2.800 1.00 0.00 C ATOM 569 O LEU A 36 -7.174 1.343 -1.687 1.00 0.00 O ATOM 570 CB LEU A 36 -8.596 3.104 -3.392 1.00 0.00 C ATOM 571 CG LEU A 36 -8.545 3.806 -4.757 1.00 0.00 C ATOM 572 CD1 LEU A 36 -7.315 3.338 -5.541 1.00 0.00 C ATOM 573 CD2 LEU A 36 -9.813 3.482 -5.551 1.00 0.00 C ATOM 0 H LEU A 36 -9.968 0.907 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.570 1.328 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.468 3.446 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.717 3.373 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.480 4.883 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.287 3.841 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.412 3.579 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.370 2.260 -5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.774 3.982 -6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.883 2.405 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.687 3.829 -4.999 1.00 0.00 H new ATOM 585 N GLN A 37 -6.891 -0.079 -3.409 1.00 0.00 N ATOM 586 CA GLN A 37 -5.770 -0.769 -2.776 1.00 0.00 C ATOM 587 C GLN A 37 -4.460 -0.309 -3.400 1.00 0.00 C ATOM 588 O GLN A 37 -4.103 -0.730 -4.501 1.00 0.00 O ATOM 589 CB GLN A 37 -5.893 -2.285 -2.950 1.00 0.00 C ATOM 590 CG GLN A 37 -7.284 -2.746 -2.510 1.00 0.00 C ATOM 591 CD GLN A 37 -8.267 -2.553 -3.658 1.00 0.00 C ATOM 592 OE1 GLN A 37 -9.088 -1.635 -3.634 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.231 -3.369 -4.675 1.00 0.00 N ATOM 0 H GLN A 37 -7.147 -0.436 -4.330 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.784 -0.529 -1.713 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.723 -2.556 -3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.129 -2.791 -2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.255 -3.795 -2.214 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.609 -2.177 -1.639 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.551 -4.129 -4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.883 -3.247 -5.450 1.00 0.00 H new ATOM 602 N ILE A 38 -3.748 0.563 -2.694 1.00 0.00 N ATOM 603 CA ILE A 38 -2.482 1.068 -3.208 1.00 0.00 C ATOM 604 C ILE A 38 -1.395 0.009 -3.089 1.00 0.00 C ATOM 605 O ILE A 38 -1.039 -0.432 -1.993 1.00 0.00 O ATOM 606 CB ILE A 38 -2.031 2.324 -2.462 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.176 3.340 -2.433 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.826 2.934 -3.188 1.00 0.00 C ATOM 609 CD1 ILE A 38 -2.895 4.395 -1.361 1.00 0.00 C ATOM 0 H ILE A 38 -4.020 0.929 -1.781 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.642 1.320 -4.256 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.753 2.064 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.279 3.816 -3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.119 2.835 -2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.499 3.830 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.011 2.210 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.110 3.196 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.710 5.119 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.814 3.912 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.961 4.907 -1.591 1.00 0.00 H new ATOM 621 N VAL A 39 -0.854 -0.366 -4.237 1.00 0.00 N ATOM 622 CA VAL A 39 0.216 -1.349 -4.278 1.00 0.00 C ATOM 623 C VAL A 39 1.547 -0.619 -4.363 1.00 0.00 C ATOM 624 O VAL A 39 1.584 0.605 -4.502 1.00 0.00 O ATOM 625 CB VAL A 39 0.061 -2.288 -5.480 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.241 -3.080 -5.341 1.00 0.00 C ATOM 627 CG2 VAL A 39 0.021 -1.473 -6.772 1.00 0.00 C ATOM 0 H VAL A 39 -1.137 -0.006 -5.149 1.00 0.00 H new ATOM 0 HA VAL A 39 0.173 -1.955 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 39 0.908 -2.974 -5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.353 -3.748 -6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.214 -3.666 -4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.084 -2.390 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.089 -2.145 -7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.823 -0.784 -6.742 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.947 -0.907 -6.874 1.00 0.00 H new ATOM 637 N ALA A 40 2.634 -1.363 -4.261 1.00 0.00 N ATOM 638 CA ALA A 40 3.950 -0.746 -4.309 1.00 0.00 C ATOM 639 C ALA A 40 5.028 -1.760 -4.628 1.00 0.00 C ATOM 640 O ALA A 40 4.765 -2.949 -4.793 1.00 0.00 O ATOM 641 CB ALA A 40 4.273 -0.124 -2.959 1.00 0.00 C ATOM 0 H ALA A 40 2.635 -2.377 -4.146 1.00 0.00 H new ATOM 0 HA ALA A 40 3.929 0.011 -5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.260 0.338 -2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.527 0.634 -2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.264 -0.897 -2.191 1.00 0.00 H new ATOM 647 N ARG A 41 6.255 -1.263 -4.689 1.00 0.00 N ATOM 648 CA ARG A 41 7.401 -2.116 -4.964 1.00 0.00 C ATOM 649 C ARG A 41 8.591 -1.678 -4.111 1.00 0.00 C ATOM 650 O ARG A 41 9.154 -0.601 -4.316 1.00 0.00 O ATOM 651 CB ARG A 41 7.771 -2.052 -6.445 1.00 0.00 C ATOM 652 CG ARG A 41 8.898 -3.047 -6.747 1.00 0.00 C ATOM 653 CD ARG A 41 8.308 -4.328 -7.342 1.00 0.00 C ATOM 654 NE ARG A 41 7.883 -4.106 -8.722 1.00 0.00 N ATOM 655 CZ ARG A 41 8.766 -4.088 -9.716 1.00 0.00 C ATOM 656 NH1 ARG A 41 9.226 -5.209 -10.201 1.00 0.00 N ATOM 657 NH2 ARG A 41 9.173 -2.949 -10.208 1.00 0.00 N ATOM 0 H ARG A 41 6.482 -0.278 -4.552 1.00 0.00 H new ATOM 0 HA ARG A 41 7.139 -3.144 -4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.898 -2.281 -7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.087 -1.042 -6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.610 -2.605 -7.444 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.447 -3.278 -5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.050 -5.126 -7.308 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.459 -4.656 -6.743 1.00 0.00 H new ATOM 0 HE ARG A 41 6.894 -3.963 -8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.908 -6.099 -9.818 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.903 -5.195 -10.964 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.814 -2.073 -9.830 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.850 -2.936 -10.970 1.00 0.00 H new ATOM 671 N LEU A 42 8.949 -2.520 -3.137 1.00 0.00 N ATOM 672 CA LEU A 42 10.054 -2.217 -2.232 1.00 0.00 C ATOM 673 C LEU A 42 11.405 -2.536 -2.864 1.00 0.00 C ATOM 674 O LEU A 42 11.494 -3.272 -3.851 1.00 0.00 O ATOM 675 CB LEU A 42 9.913 -3.022 -0.943 1.00 0.00 C ATOM 676 CG LEU A 42 8.535 -2.769 -0.332 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.271 -3.795 0.768 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.491 -1.358 0.265 1.00 0.00 C ATOM 0 H LEU A 42 8.490 -3.413 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 42 10.013 -1.149 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.041 -4.085 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.693 -2.738 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 42 7.772 -2.860 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.289 -3.616 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.302 -4.799 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.034 -3.704 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.508 -1.178 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.253 -1.266 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.680 -0.625 -0.519 1.00 0.00 H new ATOM 690 N LYS A 43 12.453 -1.962 -2.269 1.00 0.00 N ATOM 691 CA LYS A 43 13.819 -2.155 -2.755 1.00 0.00 C ATOM 692 C LYS A 43 14.587 -3.143 -1.876 1.00 0.00 C ATOM 693 O LYS A 43 15.320 -3.997 -2.374 1.00 0.00 O ATOM 694 CB LYS A 43 14.566 -0.811 -2.761 1.00 0.00 C ATOM 695 CG LYS A 43 14.681 -0.281 -4.192 1.00 0.00 C ATOM 696 CD LYS A 43 15.911 -0.892 -4.869 1.00 0.00 C ATOM 697 CE LYS A 43 16.565 0.148 -5.781 1.00 0.00 C ATOM 698 NZ LYS A 43 17.570 0.929 -5.003 1.00 0.00 N ATOM 0 H LYS A 43 12.381 -1.359 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 43 13.758 -2.558 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.037 -0.089 -2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.559 -0.936 -2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.782 -0.530 -4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.761 0.806 -4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.623 -1.229 -4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.622 -1.768 -5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 43 17.046 -0.345 -6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.807 0.816 -6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.015 1.636 -5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.098 1.410 -4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 18.298 0.286 -4.633 1.00 0.00 H new ATOM 712 N ASN A 44 14.425 -3.004 -0.559 1.00 0.00 N ATOM 713 CA ASN A 44 15.123 -3.874 0.400 1.00 0.00 C ATOM 714 C ASN A 44 15.029 -5.349 0.003 1.00 0.00 C ATOM 715 O ASN A 44 15.964 -6.122 0.206 1.00 0.00 O ATOM 716 CB ASN A 44 14.538 -3.701 1.805 1.00 0.00 C ATOM 717 CG ASN A 44 13.039 -3.987 1.780 1.00 0.00 C ATOM 718 OD1 ASN A 44 12.620 -5.132 1.611 1.00 0.00 O ATOM 719 ND2 ASN A 44 12.198 -3.004 1.945 1.00 0.00 N ATOM 0 H ASN A 44 13.821 -2.303 -0.130 1.00 0.00 H new ATOM 0 HA ASN A 44 16.172 -3.578 0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.035 -4.377 2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.718 -2.687 2.161 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.194 -3.184 1.934 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.544 -2.055 2.085 1.00 0.00 H new ATOM 726 N ASN A 45 13.889 -5.723 -0.563 1.00 0.00 N ATOM 727 CA ASN A 45 13.676 -7.105 -0.986 1.00 0.00 C ATOM 728 C ASN A 45 13.560 -7.204 -2.507 1.00 0.00 C ATOM 729 O ASN A 45 13.841 -8.247 -3.096 1.00 0.00 O ATOM 730 CB ASN A 45 12.401 -7.662 -0.352 1.00 0.00 C ATOM 731 CG ASN A 45 11.214 -6.773 -0.711 1.00 0.00 C ATOM 732 OD1 ASN A 45 10.913 -6.570 -1.886 1.00 0.00 O ATOM 733 ND2 ASN A 45 10.514 -6.227 0.244 1.00 0.00 N ATOM 0 H ASN A 45 13.103 -5.097 -0.740 1.00 0.00 H new ATOM 0 HA ASN A 45 14.537 -7.688 -0.658 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.224 -8.679 -0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.515 -7.713 0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.717 -5.632 0.016 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.763 -6.395 1.219 1.00 0.00 H new ATOM 740 N ASN A 46 13.129 -6.109 -3.135 1.00 0.00 N ATOM 741 CA ASN A 46 12.959 -6.074 -4.590 1.00 0.00 C ATOM 742 C ASN A 46 11.736 -6.897 -4.984 1.00 0.00 C ATOM 743 O ASN A 46 11.842 -7.931 -5.645 1.00 0.00 O ATOM 744 CB ASN A 46 14.200 -6.616 -5.316 1.00 0.00 C ATOM 745 CG ASN A 46 14.179 -6.160 -6.770 1.00 0.00 C ATOM 746 OD1 ASN A 46 13.625 -6.840 -7.634 1.00 0.00 O ATOM 747 ND2 ASN A 46 14.757 -5.036 -7.096 1.00 0.00 N ATOM 0 H ASN A 46 12.892 -5.237 -2.662 1.00 0.00 H new ATOM 0 HA ASN A 46 12.820 -5.035 -4.888 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.106 -6.260 -4.825 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.217 -7.705 -5.266 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.750 -4.721 -8.066 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.216 -4.472 -6.381 1.00 0.00 H new ATOM 754 N ARG A 47 10.570 -6.420 -4.560 1.00 0.00 N ATOM 755 CA ARG A 47 9.314 -7.109 -4.859 1.00 0.00 C ATOM 756 C ARG A 47 8.155 -6.120 -4.804 1.00 0.00 C ATOM 757 O ARG A 47 8.364 -4.920 -4.663 1.00 0.00 O ATOM 758 CB ARG A 47 9.065 -8.242 -3.853 1.00 0.00 C ATOM 759 CG ARG A 47 9.429 -9.588 -4.488 1.00 0.00 C ATOM 760 CD ARG A 47 9.635 -10.631 -3.389 1.00 0.00 C ATOM 761 NE ARG A 47 9.455 -11.980 -3.918 1.00 0.00 N ATOM 762 CZ ARG A 47 8.914 -12.941 -3.175 1.00 0.00 C ATOM 763 NH1 ARG A 47 7.843 -12.697 -2.472 1.00 0.00 N ATOM 764 NH2 ARG A 47 9.455 -14.129 -3.150 1.00 0.00 N ATOM 0 H ARG A 47 10.466 -5.566 -4.012 1.00 0.00 H new ATOM 0 HA ARG A 47 9.386 -7.535 -5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.660 -8.080 -2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.019 -8.245 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.637 -9.909 -5.165 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.336 -9.488 -5.084 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.635 -10.530 -2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.929 -10.456 -2.577 1.00 0.00 H new ATOM 0 HE ARG A 47 9.749 -12.188 -4.872 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.420 -11.769 -2.492 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.428 -13.434 -1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.292 -14.320 -3.700 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.040 -14.866 -2.580 1.00 0.00 H new ATOM 778 N GLN A 48 6.933 -6.638 -4.920 1.00 0.00 N ATOM 779 CA GLN A 48 5.742 -5.787 -4.887 1.00 0.00 C ATOM 780 C GLN A 48 4.940 -6.030 -3.609 1.00 0.00 C ATOM 781 O GLN A 48 4.761 -7.171 -3.184 1.00 0.00 O ATOM 782 CB GLN A 48 4.852 -6.081 -6.099 1.00 0.00 C ATOM 783 CG GLN A 48 3.708 -5.066 -6.159 1.00 0.00 C ATOM 784 CD GLN A 48 2.506 -5.695 -6.858 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.625 -6.202 -7.973 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.345 -5.690 -6.263 1.00 0.00 N ATOM 0 H GLN A 48 6.741 -7.633 -5.037 1.00 0.00 H new ATOM 0 HA GLN A 48 6.068 -4.747 -4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.441 -6.033 -7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.450 -7.092 -6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.433 -4.752 -5.152 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.028 -4.173 -6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.247 -5.270 -5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.535 -6.107 -6.722 1.00 0.00 H new ATOM 795 N VAL A 49 4.455 -4.945 -2.997 1.00 0.00 N ATOM 796 CA VAL A 49 3.671 -5.078 -1.760 1.00 0.00 C ATOM 797 C VAL A 49 2.486 -4.120 -1.753 1.00 0.00 C ATOM 798 O VAL A 49 2.293 -3.335 -2.675 1.00 0.00 O ATOM 799 CB VAL A 49 4.527 -4.779 -0.524 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.457 -5.957 -0.242 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.358 -3.513 -0.760 1.00 0.00 C ATOM 0 H VAL A 49 4.585 -3.988 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 49 3.317 -6.108 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 49 3.872 -4.624 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.063 -5.740 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.864 -6.854 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.108 -6.120 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.964 -3.306 0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.009 -3.661 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.692 -2.671 -0.949 1.00 0.00 H new ATOM 811 N CYS A 50 1.707 -4.185 -0.675 1.00 0.00 N ATOM 812 CA CYS A 50 0.553 -3.308 -0.515 1.00 0.00 C ATOM 813 C CYS A 50 0.820 -2.370 0.655 1.00 0.00 C ATOM 814 O CYS A 50 0.883 -2.801 1.805 1.00 0.00 O ATOM 815 CB CYS A 50 -0.713 -4.121 -0.231 1.00 0.00 C ATOM 816 SG CYS A 50 -1.075 -5.197 -1.642 1.00 0.00 S ATOM 0 H CYS A 50 1.855 -4.834 0.098 1.00 0.00 H new ATOM 0 HA CYS A 50 0.400 -2.745 -1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.578 -4.719 0.670 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.553 -3.452 -0.047 1.00 0.00 H new ATOM 821 N ILE A 51 1.005 -1.087 0.355 1.00 0.00 N ATOM 822 CA ILE A 51 1.298 -0.123 1.413 1.00 0.00 C ATOM 823 C ILE A 51 0.029 0.329 2.112 1.00 0.00 C ATOM 824 O ILE A 51 -1.047 0.384 1.517 1.00 0.00 O ATOM 825 CB ILE A 51 2.034 1.101 0.867 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.221 0.651 0.018 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.556 1.930 2.040 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.860 1.867 -0.644 1.00 0.00 C ATOM 0 H ILE A 51 0.959 -0.697 -0.586 1.00 0.00 H new ATOM 0 HA ILE A 51 1.941 -0.631 2.132 1.00 0.00 H new ATOM 0 HB ILE A 51 1.351 1.693 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.953 0.135 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.891 -0.059 -0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.083 2.806 1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.719 2.250 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.239 1.326 2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.708 1.548 -1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.126 2.363 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.204 2.560 0.124 1.00 0.00 H new ATOM 840 N ASP A 52 0.174 0.639 3.396 1.00 0.00 N ATOM 841 CA ASP A 52 -0.958 1.075 4.202 1.00 0.00 C ATOM 842 C ASP A 52 -1.268 2.552 3.928 1.00 0.00 C ATOM 843 O ASP A 52 -0.351 3.362 3.778 1.00 0.00 O ATOM 844 CB ASP A 52 -0.642 0.887 5.696 1.00 0.00 C ATOM 845 CG ASP A 52 -1.752 0.079 6.366 1.00 0.00 C ATOM 846 OD1 ASP A 52 -1.851 -1.104 6.083 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.486 0.656 7.152 1.00 0.00 O ATOM 0 H ASP A 52 1.061 0.596 3.898 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.827 0.473 3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.313 0.375 5.813 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.544 1.858 6.181 1.00 0.00 H new ATOM 852 N PRO A 53 -2.555 2.932 3.867 1.00 0.00 N ATOM 853 CA PRO A 53 -2.946 4.335 3.614 1.00 0.00 C ATOM 854 C PRO A 53 -2.765 5.229 4.840 1.00 0.00 C ATOM 855 O PRO A 53 -2.747 6.455 4.730 1.00 0.00 O ATOM 856 CB PRO A 53 -4.418 4.219 3.239 1.00 0.00 C ATOM 857 CG PRO A 53 -4.928 2.925 3.848 1.00 0.00 C ATOM 858 CD PRO A 53 -3.713 2.017 4.051 1.00 0.00 C ATOM 0 HA PRO A 53 -2.329 4.800 2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.981 5.072 3.617 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.541 4.211 2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.429 3.117 4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.658 2.451 3.192 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.712 1.565 5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.698 1.201 3.328 1.00 0.00 H new ATOM 866 N LYS A 54 -2.627 4.605 6.010 1.00 0.00 N ATOM 867 CA LYS A 54 -2.445 5.363 7.242 1.00 0.00 C ATOM 868 C LYS A 54 -0.959 5.561 7.560 1.00 0.00 C ATOM 869 O LYS A 54 -0.605 5.943 8.675 1.00 0.00 O ATOM 870 CB LYS A 54 -3.108 4.639 8.415 1.00 0.00 C ATOM 871 CG LYS A 54 -4.605 4.956 8.430 1.00 0.00 C ATOM 872 CD LYS A 54 -5.355 3.845 9.167 1.00 0.00 C ATOM 873 CE LYS A 54 -5.405 4.168 10.661 1.00 0.00 C ATOM 874 NZ LYS A 54 -4.205 3.596 11.334 1.00 0.00 N ATOM 0 H LYS A 54 -2.638 3.592 6.128 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.909 6.338 7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.954 3.564 8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.650 4.950 9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.780 5.914 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.978 5.047 7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.366 3.749 8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.858 2.888 9.007 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.438 5.247 10.810 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.313 3.757 11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.422 3.414 12.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.939 2.704 10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.416 4.270 11.268 1.00 0.00 H new ATOM 888 N LEU A 55 -0.087 5.307 6.578 1.00 0.00 N ATOM 889 CA LEU A 55 1.346 5.480 6.802 1.00 0.00 C ATOM 890 C LEU A 55 1.667 6.958 6.986 1.00 0.00 C ATOM 891 O LEU A 55 0.863 7.828 6.650 1.00 0.00 O ATOM 892 CB LEU A 55 2.148 4.913 5.628 1.00 0.00 C ATOM 893 CG LEU A 55 2.652 3.509 5.980 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.345 2.888 4.764 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.638 3.587 7.150 1.00 0.00 C ATOM 0 H LEU A 55 -0.343 4.989 5.643 1.00 0.00 H new ATOM 0 HA LEU A 55 1.624 4.937 7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.525 4.873 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.990 5.566 5.401 1.00 0.00 H new ATOM 0 HG LEU A 55 1.803 2.888 6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.702 1.890 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.638 2.821 3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.190 3.511 4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.992 2.586 7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.485 4.213 6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.139 4.018 8.018 1.00 0.00 H new ATOM 907 N LYS A 56 2.837 7.232 7.549 1.00 0.00 N ATOM 908 CA LYS A 56 3.238 8.604 7.806 1.00 0.00 C ATOM 909 C LYS A 56 3.686 9.306 6.534 1.00 0.00 C ATOM 910 O LYS A 56 3.417 10.493 6.344 1.00 0.00 O ATOM 911 CB LYS A 56 4.372 8.653 8.831 1.00 0.00 C ATOM 912 CG LYS A 56 3.843 8.215 10.199 1.00 0.00 C ATOM 913 CD LYS A 56 4.694 8.849 11.302 1.00 0.00 C ATOM 914 CE LYS A 56 4.230 10.287 11.543 1.00 0.00 C ATOM 915 NZ LYS A 56 3.131 10.291 12.551 1.00 0.00 N ATOM 0 H LYS A 56 3.518 6.528 7.833 1.00 0.00 H new ATOM 0 HA LYS A 56 2.364 9.122 8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.187 8.000 8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.778 9.663 8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.801 8.515 10.311 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.872 7.129 10.281 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.608 8.269 12.221 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.746 8.838 11.016 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.063 10.895 11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.884 10.730 10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.815 11.268 12.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.334 9.724 12.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.477 9.884 13.443 1.00 0.00 H new ATOM 929 N TRP A 57 4.374 8.580 5.666 1.00 0.00 N ATOM 930 CA TRP A 57 4.836 9.186 4.427 1.00 0.00 C ATOM 931 C TRP A 57 3.761 9.101 3.354 1.00 0.00 C ATOM 932 O TRP A 57 3.687 9.957 2.470 1.00 0.00 O ATOM 933 CB TRP A 57 6.140 8.550 3.934 1.00 0.00 C ATOM 934 CG TRP A 57 5.955 7.106 3.584 1.00 0.00 C ATOM 935 CD1 TRP A 57 5.987 6.070 4.457 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.733 6.525 2.270 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.824 4.891 3.751 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.659 5.121 2.402 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.596 7.078 0.987 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.460 4.295 1.300 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.387 6.248 -0.128 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.322 4.858 0.030 1.00 0.00 C ATOM 0 H TRP A 57 4.620 7.598 5.790 1.00 0.00 H new ATOM 0 HA TRP A 57 5.041 10.236 4.634 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.502 9.093 3.061 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.904 8.642 4.706 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.118 6.151 5.526 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.826 3.964 4.177 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.652 8.149 0.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.413 3.223 1.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.276 6.684 -1.110 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.165 4.223 -0.829 1.00 0.00 H new ATOM 953 N ILE A 58 2.915 8.074 3.437 1.00 0.00 N ATOM 954 CA ILE A 58 1.857 7.936 2.457 1.00 0.00 C ATOM 955 C ILE A 58 0.687 8.862 2.799 1.00 0.00 C ATOM 956 O ILE A 58 -0.124 9.167 1.930 1.00 0.00 O ATOM 957 CB ILE A 58 1.399 6.468 2.316 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.533 5.701 1.582 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.057 6.382 1.540 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.998 4.573 0.681 1.00 0.00 C ATOM 0 H ILE A 58 2.944 7.349 4.154 1.00 0.00 H new ATOM 0 HA ILE A 58 2.254 8.236 1.487 1.00 0.00 H new ATOM 0 HB ILE A 58 1.219 6.022 3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.108 6.402 0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.217 5.279 2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.247 5.339 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.710 6.939 2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.184 6.807 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.833 4.070 0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.446 3.854 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.336 4.995 -0.075 1.00 0.00 H new ATOM 972 N GLN A 59 0.596 9.319 4.052 1.00 0.00 N ATOM 973 CA GLN A 59 -0.495 10.214 4.401 1.00 0.00 C ATOM 974 C GLN A 59 -0.295 11.555 3.698 1.00 0.00 C ATOM 975 O GLN A 59 -1.259 12.227 3.333 1.00 0.00 O ATOM 976 CB GLN A 59 -0.608 10.425 5.915 1.00 0.00 C ATOM 977 CG GLN A 59 0.731 10.885 6.485 1.00 0.00 C ATOM 978 CD GLN A 59 0.489 11.830 7.658 1.00 0.00 C ATOM 979 OE1 GLN A 59 -0.482 11.673 8.400 1.00 0.00 O ATOM 980 NE2 GLN A 59 1.322 12.811 7.873 1.00 0.00 N ATOM 0 H GLN A 59 1.240 9.092 4.810 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.426 9.753 4.070 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.377 11.167 6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.917 9.497 6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.314 10.024 6.813 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.313 11.389 5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.126 12.941 7.259 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.169 13.448 8.655 1.00 0.00 H new ATOM 989 N GLU A 60 0.970 11.922 3.480 1.00 0.00 N ATOM 990 CA GLU A 60 1.275 13.167 2.785 1.00 0.00 C ATOM 991 C GLU A 60 1.101 12.960 1.283 1.00 0.00 C ATOM 992 O GLU A 60 0.654 13.850 0.561 1.00 0.00 O ATOM 993 CB GLU A 60 2.713 13.609 3.070 1.00 0.00 C ATOM 994 CG GLU A 60 2.735 14.513 4.304 1.00 0.00 C ATOM 995 CD GLU A 60 4.149 15.036 4.526 1.00 0.00 C ATOM 996 OE1 GLU A 60 5.073 14.244 4.443 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.288 16.223 4.776 1.00 0.00 O ATOM 0 H GLU A 60 1.785 11.382 3.771 1.00 0.00 H new ATOM 0 HA GLU A 60 0.595 13.941 3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.347 12.737 3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.118 14.141 2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.045 15.346 4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.399 13.958 5.180 1.00 0.00 H new ATOM 1004 N TYR A 61 1.454 11.757 0.832 1.00 0.00 N ATOM 1005 CA TYR A 61 1.332 11.402 -0.578 1.00 0.00 C ATOM 1006 C TYR A 61 -0.149 11.326 -0.963 1.00 0.00 C ATOM 1007 O TYR A 61 -0.592 11.955 -1.925 1.00 0.00 O ATOM 1008 CB TYR A 61 2.044 10.046 -0.826 1.00 0.00 C ATOM 1009 CG TYR A 61 1.505 9.323 -2.049 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.381 9.992 -3.271 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.121 7.985 -1.940 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.875 9.315 -4.388 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.614 7.308 -3.052 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.490 7.973 -4.278 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.010 7.306 -5.377 1.00 0.00 O ATOM 0 H TYR A 61 1.826 11.014 1.423 1.00 0.00 H new ATOM 0 HA TYR A 61 1.806 12.162 -1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.113 10.218 -0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.924 9.410 0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.675 11.028 -3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.216 7.472 -0.994 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.782 9.828 -5.334 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.318 6.273 -2.966 1.00 0.00 H new ATOM 0 HH TYR A 61 0.214 6.354 -5.312 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.898 10.542 -0.200 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.321 10.374 -0.462 1.00 0.00 C ATOM 1027 C LEU A 62 -3.048 11.713 -0.347 1.00 0.00 C ATOM 1028 O LEU A 62 -4.076 11.934 -0.986 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.920 9.382 0.539 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.889 8.440 -0.179 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.843 7.061 0.480 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.309 9.003 -0.085 1.00 0.00 C ATOM 0 H LEU A 62 -0.547 10.015 0.600 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.444 9.991 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.125 8.807 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.441 9.920 1.330 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.601 8.351 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.533 6.390 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.832 6.660 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.131 7.149 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.001 8.333 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.597 9.091 0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.342 9.986 -0.555 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.497 12.603 0.474 1.00 0.00 N ATOM 1045 CA GLU A 63 -3.101 13.921 0.663 1.00 0.00 C ATOM 1046 C GLU A 63 -2.954 14.758 -0.603 1.00 0.00 C ATOM 1047 O GLU A 63 -3.816 15.575 -0.928 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.434 14.655 1.828 1.00 0.00 C ATOM 1049 CG GLU A 63 -3.208 15.939 2.136 1.00 0.00 C ATOM 1050 CD GLU A 63 -2.910 16.384 3.564 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -3.228 15.635 4.474 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -2.369 17.464 3.726 1.00 0.00 O ATOM 0 H GLU A 63 -1.646 12.441 1.012 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.159 13.779 0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.409 14.013 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.400 14.893 1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.926 16.723 1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.278 15.770 2.013 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.850 14.546 -1.315 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.596 15.286 -2.548 1.00 0.00 C ATOM 1061 C LYS A 64 -2.284 14.609 -3.728 1.00 0.00 C ATOM 1062 O LYS A 64 -2.929 15.263 -4.548 1.00 0.00 O ATOM 1063 CB LYS A 64 -0.094 15.364 -2.825 1.00 0.00 C ATOM 1064 CG LYS A 64 0.165 16.349 -3.968 1.00 0.00 C ATOM 1065 CD LYS A 64 0.209 15.590 -5.296 1.00 0.00 C ATOM 1066 CE LYS A 64 0.861 16.470 -6.364 1.00 0.00 C ATOM 1067 NZ LYS A 64 1.542 15.606 -7.371 1.00 0.00 N ATOM 0 H LYS A 64 -1.124 13.875 -1.063 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.995 16.293 -2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.436 15.684 -1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.290 14.378 -3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.619 17.105 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.107 16.872 -3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.772 14.664 -5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.800 15.314 -5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.107 17.089 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.581 17.147 -5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.986 16.203 -8.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.272 15.034 -6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.844 14.978 -7.818 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.139 13.289 -3.805 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.751 12.527 -4.890 1.00 0.00 C ATOM 1083 C ALA A 65 -4.269 12.646 -4.836 1.00 0.00 C ATOM 1084 O ALA A 65 -4.934 12.781 -5.863 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.363 11.050 -4.794 1.00 0.00 C ATOM 0 H ALA A 65 -1.609 12.729 -3.137 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.388 12.936 -5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.828 10.498 -5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.279 10.953 -4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.705 10.645 -3.841 1.00 0.00 H new