USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -1.37 X(o=-1.4,f=-0.89) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.52! C(o=-1.5!,f=-3.7!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -6:sc= 0.432 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.1) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -10.888 -5.093 0.114 1.00 0.00 N ATOM 117 CA LEU A 9 -10.579 -3.761 0.618 1.00 0.00 C ATOM 118 C LEU A 9 -9.903 -2.929 -0.468 1.00 0.00 C ATOM 119 O LEU A 9 -8.837 -3.292 -0.965 1.00 0.00 O ATOM 120 CB LEU A 9 -9.675 -3.856 1.852 1.00 0.00 C ATOM 121 CG LEU A 9 -9.599 -2.591 2.714 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.108 -2.932 4.112 1.00 0.00 C ATOM 123 CD2 LEU A 9 -8.688 -1.553 2.073 1.00 0.00 C ATOM 0 HA LEU A 9 -11.510 -3.272 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.026 -4.679 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.668 -4.112 1.524 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.601 -2.168 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.059 -2.023 4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.796 -3.638 4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.116 -3.380 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.650 -0.664 2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.685 -1.966 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.076 -1.285 1.090 1.00 0.00 H new ATOM 135 N VAL A 10 -10.527 -1.814 -0.828 1.00 0.00 N ATOM 136 CA VAL A 10 -9.982 -0.935 -1.856 1.00 0.00 C ATOM 137 C VAL A 10 -9.298 0.273 -1.227 1.00 0.00 C ATOM 138 O VAL A 10 -9.834 0.894 -0.308 1.00 0.00 O ATOM 139 CB VAL A 10 -11.082 -0.453 -2.824 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.480 0.357 -3.961 1.00 0.00 C ATOM 141 CG2 VAL A 10 -11.873 -1.636 -3.366 1.00 0.00 C ATOM 0 H VAL A 10 -11.409 -1.497 -0.425 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.249 -1.512 -2.419 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.766 0.192 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.273 0.687 -4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.963 1.226 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.772 -0.261 -4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.644 -1.277 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.202 -2.308 -3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.340 -2.171 -2.539 1.00 0.00 H new ATOM 151 N VAL A 11 -8.110 0.599 -1.727 1.00 0.00 N ATOM 152 CA VAL A 11 -7.346 1.726 -1.207 1.00 0.00 C ATOM 153 C VAL A 11 -6.931 2.673 -2.331 1.00 0.00 C ATOM 154 O VAL A 11 -6.843 2.273 -3.493 1.00 0.00 O ATOM 155 CB VAL A 11 -6.092 1.241 -0.450 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.013 0.776 -1.416 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.566 2.329 0.471 1.00 0.00 C ATOM 0 H VAL A 11 -7.656 0.098 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.991 2.265 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.378 0.386 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.142 0.440 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.395 -0.047 -2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.728 1.602 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.682 1.966 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.304 3.208 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.335 2.594 1.197 1.00 0.00 H new ATOM 167 N ARG A 12 -6.677 3.931 -1.977 1.00 0.00 N ATOM 168 CA ARG A 12 -6.272 4.936 -2.955 1.00 0.00 C ATOM 169 C ARG A 12 -4.961 5.599 -2.546 1.00 0.00 C ATOM 170 O ARG A 12 -4.769 5.952 -1.382 1.00 0.00 O ATOM 171 CB ARG A 12 -7.360 6.001 -3.111 1.00 0.00 C ATOM 172 CG ARG A 12 -7.023 7.061 -4.148 1.00 0.00 C ATOM 173 CD ARG A 12 -8.126 8.100 -4.270 1.00 0.00 C ATOM 174 NE ARG A 12 -9.360 7.531 -4.805 1.00 0.00 N ATOM 175 CZ ARG A 12 -10.289 8.245 -5.433 1.00 0.00 C ATOM 176 NH1 ARG A 12 -10.118 9.547 -5.621 1.00 0.00 N ATOM 177 NH2 ARG A 12 -11.391 7.657 -5.879 1.00 0.00 N ATOM 0 H ARG A 12 -6.745 4.278 -1.020 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.125 4.431 -3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.296 5.516 -3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.525 6.485 -2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.089 7.552 -3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.863 6.585 -5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.323 8.536 -3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.790 8.910 -4.917 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.518 6.530 -4.690 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.271 10.004 -5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.833 10.091 -6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.527 6.656 -5.740 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.103 8.206 -6.361 1.00 0.00 H new ATOM 191 N ALA A 13 -4.063 5.762 -3.511 1.00 0.00 N ATOM 192 CA ALA A 13 -2.770 6.386 -3.261 1.00 0.00 C ATOM 193 C ALA A 13 -2.937 7.819 -2.768 1.00 0.00 C ATOM 194 O ALA A 13 -3.698 8.598 -3.343 1.00 0.00 O ATOM 195 CB ALA A 13 -1.922 6.359 -4.523 1.00 0.00 C ATOM 0 H ALA A 13 -4.208 5.469 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.264 5.817 -2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.958 6.828 -4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.766 5.326 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.433 6.904 -5.317 1.00 0.00 H new ATOM 201 N LYS A 14 -2.219 8.164 -1.704 1.00 0.00 N ATOM 202 CA LYS A 14 -2.289 9.506 -1.139 1.00 0.00 C ATOM 203 C LYS A 14 -1.178 10.390 -1.695 1.00 0.00 C ATOM 204 O LYS A 14 -1.437 11.332 -2.445 1.00 0.00 O ATOM 205 CB LYS A 14 -2.190 9.451 0.386 1.00 0.00 C ATOM 206 CG LYS A 14 -3.318 8.672 1.043 1.00 0.00 C ATOM 207 CD LYS A 14 -3.219 8.716 2.560 1.00 0.00 C ATOM 208 CE LYS A 14 -3.453 10.120 3.098 1.00 0.00 C ATOM 209 NZ LYS A 14 -3.386 10.164 4.585 1.00 0.00 N ATOM 0 H LYS A 14 -1.583 7.533 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.250 9.937 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.238 8.999 0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.186 10.468 0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.277 9.084 0.728 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.290 7.636 0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.951 8.034 2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.235 8.366 2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.708 10.797 2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.428 10.477 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.551 11.138 4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.114 9.537 4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.447 9.848 4.900 1.00 0.00 H new ATOM 223 N PHE A 15 0.061 10.075 -1.326 1.00 0.00 N ATOM 224 CA PHE A 15 1.213 10.845 -1.780 1.00 0.00 C ATOM 225 C PHE A 15 1.933 10.129 -2.919 1.00 0.00 C ATOM 226 O PHE A 15 1.655 8.966 -3.210 1.00 0.00 O ATOM 227 CB PHE A 15 2.185 11.082 -0.622 1.00 0.00 C ATOM 228 CG PHE A 15 1.518 11.553 0.641 1.00 0.00 C ATOM 229 CD1 PHE A 15 0.827 12.753 0.670 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.581 10.793 1.799 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.212 13.188 1.828 1.00 0.00 C ATOM 232 CE2 PHE A 15 0.968 11.223 2.961 1.00 0.00 C ATOM 233 CZ PHE A 15 0.283 12.422 2.975 1.00 0.00 C ATOM 0 H PHE A 15 0.292 9.292 -0.714 1.00 0.00 H new ATOM 0 HA PHE A 15 0.852 11.806 -2.147 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.722 10.156 -0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.927 11.820 -0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.768 13.356 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.115 9.854 1.793 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.324 14.126 1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.025 10.622 3.857 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.197 12.760 3.882 1.00 0.00 H new ATOM 243 N ASN A 16 2.860 10.836 -3.559 1.00 0.00 N ATOM 244 CA ASN A 16 3.625 10.272 -4.665 1.00 0.00 C ATOM 245 C ASN A 16 4.705 9.320 -4.153 1.00 0.00 C ATOM 246 O ASN A 16 5.708 9.749 -3.583 1.00 0.00 O ATOM 247 CB ASN A 16 4.254 11.393 -5.496 1.00 0.00 C ATOM 248 CG ASN A 16 5.059 12.362 -4.651 1.00 0.00 C ATOM 249 OD1 ASN A 16 6.266 12.197 -4.475 1.00 0.00 O ATOM 250 ND2 ASN A 16 4.389 13.379 -4.119 1.00 0.00 N ATOM 0 H ASN A 16 3.099 11.801 -3.330 1.00 0.00 H new ATOM 0 HA ASN A 16 2.944 9.702 -5.297 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.900 10.957 -6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.468 11.938 -6.019 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.875 14.062 -3.538 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.388 13.477 -4.292 1.00 0.00 H new ATOM 257 N PHE A 17 4.485 8.025 -4.357 1.00 0.00 N ATOM 258 CA PHE A 17 5.434 7.007 -3.916 1.00 0.00 C ATOM 259 C PHE A 17 6.372 6.609 -5.054 1.00 0.00 C ATOM 260 O PHE A 17 5.951 6.496 -6.205 1.00 0.00 O ATOM 261 CB PHE A 17 4.682 5.776 -3.404 1.00 0.00 C ATOM 262 CG PHE A 17 5.496 4.902 -2.492 1.00 0.00 C ATOM 263 CD1 PHE A 17 5.499 5.121 -1.123 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.254 3.859 -3.001 1.00 0.00 C ATOM 265 CE1 PHE A 17 6.242 4.317 -0.281 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.999 3.052 -2.163 1.00 0.00 C ATOM 267 CZ PHE A 17 6.993 3.282 -0.800 1.00 0.00 C ATOM 0 H PHE A 17 3.658 7.655 -4.825 1.00 0.00 H new ATOM 0 HA PHE A 17 6.033 7.424 -3.107 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.787 6.103 -2.875 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.350 5.184 -4.257 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.914 5.929 -0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.262 3.675 -4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.235 4.498 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.585 2.243 -2.572 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.575 2.653 -0.143 1.00 0.00 H new ATOM 277 N GLN A 18 7.643 6.395 -4.724 1.00 0.00 N ATOM 278 CA GLN A 18 8.637 6.009 -5.721 1.00 0.00 C ATOM 279 C GLN A 18 9.294 4.684 -5.343 1.00 0.00 C ATOM 280 O GLN A 18 9.987 4.590 -4.330 1.00 0.00 O ATOM 281 CB GLN A 18 9.699 7.102 -5.859 1.00 0.00 C ATOM 282 CG GLN A 18 10.583 6.941 -7.086 1.00 0.00 C ATOM 283 CD GLN A 18 11.625 8.037 -7.198 1.00 0.00 C ATOM 284 OE1 GLN A 18 12.086 8.578 -6.193 1.00 0.00 O ATOM 285 NE2 GLN A 18 12.003 8.372 -8.426 1.00 0.00 N ATOM 0 H GLN A 18 8.008 6.482 -3.776 1.00 0.00 H new ATOM 0 HA GLN A 18 8.132 5.883 -6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.206 8.073 -5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.326 7.102 -4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.082 5.973 -7.046 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.961 6.943 -7.981 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.596 7.898 -9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.701 9.103 -8.563 1.00 0.00 H new ATOM 294 N GLN A 19 9.072 3.662 -6.167 1.00 0.00 N ATOM 295 CA GLN A 19 9.635 2.339 -5.917 1.00 0.00 C ATOM 296 C GLN A 19 11.151 2.338 -6.080 1.00 0.00 C ATOM 297 O GLN A 19 11.710 3.161 -6.803 1.00 0.00 O ATOM 298 CB GLN A 19 9.021 1.309 -6.869 1.00 0.00 C ATOM 299 CG GLN A 19 9.334 1.572 -8.335 1.00 0.00 C ATOM 300 CD GLN A 19 8.880 0.450 -9.252 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.819 -0.249 -8.862 1.00 0.00 O flip ATOM 302 NE2 GLN A 19 9.477 0.213 -10.302 1.00 0.00 N flip ATOM 0 H GLN A 19 8.506 3.726 -7.013 1.00 0.00 H new ATOM 0 HA GLN A 19 9.398 2.072 -4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.384 0.317 -6.601 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.940 1.300 -6.733 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.853 2.501 -8.642 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.408 1.716 -8.451 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.288 0.773 -10.565 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.161 -0.544 -10.909 1.00 0.00 H new ATOM 311 N THR A 20 11.806 1.405 -5.397 1.00 0.00 N ATOM 312 CA THR A 20 13.254 1.273 -5.471 1.00 0.00 C ATOM 313 C THR A 20 13.631 0.146 -6.425 1.00 0.00 C ATOM 314 O THR A 20 14.729 0.123 -6.981 1.00 0.00 O ATOM 315 CB THR A 20 13.868 0.991 -4.087 1.00 0.00 C ATOM 316 OG1 THR A 20 15.279 0.776 -4.210 1.00 0.00 O ATOM 317 CG2 THR A 20 13.219 -0.226 -3.440 1.00 0.00 C ATOM 0 H THR A 20 11.353 0.727 -4.784 1.00 0.00 H new ATOM 0 HA THR A 20 13.650 2.219 -5.839 1.00 0.00 H new ATOM 0 HB THR A 20 13.686 1.859 -3.453 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.661 0.599 -3.325 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.671 -0.403 -2.464 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.151 -0.047 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.371 -1.099 -4.074 1.00 0.00 H new ATOM 325 N ASN A 21 12.702 -0.787 -6.606 1.00 0.00 N ATOM 326 CA ASN A 21 12.905 -1.924 -7.494 1.00 0.00 C ATOM 327 C ASN A 21 11.559 -2.437 -8.001 1.00 0.00 C ATOM 328 O ASN A 21 10.518 -1.842 -7.722 1.00 0.00 O ATOM 329 CB ASN A 21 13.660 -3.038 -6.762 1.00 0.00 C ATOM 330 CG ASN A 21 14.243 -4.069 -7.709 1.00 0.00 C ATOM 331 OD1 ASN A 21 14.578 -3.758 -8.852 1.00 0.00 O ATOM 332 ND2 ASN A 21 14.370 -5.303 -7.236 1.00 0.00 N ATOM 0 H ASN A 21 11.793 -0.776 -6.144 1.00 0.00 H new ATOM 0 HA ASN A 21 13.502 -1.604 -8.348 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.463 -2.599 -6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.984 -3.532 -6.065 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.758 -6.038 -7.827 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.079 -5.516 -6.282 1.00 0.00 H new ATOM 339 N GLU A 22 11.578 -3.538 -8.744 1.00 0.00 N ATOM 340 CA GLU A 22 10.350 -4.115 -9.280 1.00 0.00 C ATOM 341 C GLU A 22 9.610 -4.919 -8.213 1.00 0.00 C ATOM 342 O GLU A 22 8.402 -5.132 -8.312 1.00 0.00 O ATOM 343 CB GLU A 22 10.659 -5.006 -10.484 1.00 0.00 C ATOM 344 CG GLU A 22 11.433 -4.296 -11.584 1.00 0.00 C ATOM 345 CD GLU A 22 11.595 -5.150 -12.826 1.00 0.00 C ATOM 346 OE1 GLU A 22 12.459 -6.052 -12.819 1.00 0.00 O ATOM 347 OE2 GLU A 22 10.855 -4.917 -13.806 1.00 0.00 O ATOM 0 H GLU A 22 12.427 -4.048 -8.988 1.00 0.00 H new ATOM 0 HA GLU A 22 9.707 -3.295 -9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.232 -5.871 -10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.723 -5.384 -10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.918 -3.372 -11.847 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.417 -4.017 -11.209 1.00 0.00 H new ATOM 354 N ASP A 23 10.342 -5.365 -7.193 1.00 0.00 N ATOM 355 CA ASP A 23 9.745 -6.146 -6.114 1.00 0.00 C ATOM 356 C ASP A 23 8.754 -5.303 -5.317 1.00 0.00 C ATOM 357 O ASP A 23 7.844 -5.833 -4.680 1.00 0.00 O ATOM 358 CB ASP A 23 10.828 -6.698 -5.184 1.00 0.00 C ATOM 359 CG ASP A 23 11.569 -5.604 -4.439 1.00 0.00 C ATOM 360 OD1 ASP A 23 10.996 -5.043 -3.483 1.00 0.00 O ATOM 361 OD2 ASP A 23 12.725 -5.311 -4.812 1.00 0.00 O ATOM 0 H ASP A 23 11.343 -5.199 -7.092 1.00 0.00 H new ATOM 0 HA ASP A 23 9.208 -6.982 -6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.372 -7.378 -4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.540 -7.282 -5.767 1.00 0.00 H new ATOM 366 N GLU A 24 8.940 -3.988 -5.356 1.00 0.00 N ATOM 367 CA GLU A 24 8.061 -3.068 -4.644 1.00 0.00 C ATOM 368 C GLU A 24 6.999 -2.506 -5.585 1.00 0.00 C ATOM 369 O GLU A 24 7.206 -2.436 -6.796 1.00 0.00 O ATOM 370 CB GLU A 24 8.876 -1.931 -4.022 1.00 0.00 C ATOM 371 CG GLU A 24 8.059 -1.007 -3.134 1.00 0.00 C ATOM 372 CD GLU A 24 8.919 -0.017 -2.375 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.391 0.957 -2.996 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.123 -0.217 -1.160 1.00 0.00 O ATOM 0 H GLU A 24 9.693 -3.535 -5.874 1.00 0.00 H new ATOM 0 HA GLU A 24 7.559 -3.616 -3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.690 -2.358 -3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.332 -1.344 -4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.340 -0.463 -3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.486 -1.604 -2.424 1.00 0.00 H new ATOM 381 N LEU A 25 5.861 -2.108 -5.022 1.00 0.00 N ATOM 382 CA LEU A 25 4.766 -1.564 -5.818 1.00 0.00 C ATOM 383 C LEU A 25 4.777 -0.037 -5.794 1.00 0.00 C ATOM 384 O LEU A 25 4.690 0.579 -4.732 1.00 0.00 O ATOM 385 CB LEU A 25 3.426 -2.092 -5.292 1.00 0.00 C ATOM 386 CG LEU A 25 2.240 -1.946 -6.250 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.148 -2.946 -5.898 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.686 -0.530 -6.213 1.00 0.00 C ATOM 0 H LEU A 25 5.674 -2.152 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 25 4.899 -1.887 -6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.543 -3.147 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.188 -1.571 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 25 2.593 -2.151 -7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.312 -2.830 -6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.544 -3.959 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.805 -2.767 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.845 -0.450 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.351 -0.297 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.465 0.173 -6.509 1.00 0.00 H new ATOM 400 N SER A 26 4.885 0.566 -6.976 1.00 0.00 N ATOM 401 CA SER A 26 4.901 2.021 -7.097 1.00 0.00 C ATOM 402 C SER A 26 3.500 2.557 -7.371 1.00 0.00 C ATOM 403 O SER A 26 2.670 1.871 -7.967 1.00 0.00 O ATOM 404 CB SER A 26 5.848 2.454 -8.215 1.00 0.00 C ATOM 405 OG SER A 26 5.843 3.861 -8.371 1.00 0.00 O ATOM 0 H SER A 26 4.963 0.069 -7.863 1.00 0.00 H new ATOM 0 HA SER A 26 5.254 2.433 -6.152 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.859 2.113 -7.992 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.551 1.980 -9.151 1.00 0.00 H new ATOM 0 HG SER A 26 6.458 4.112 -9.091 1.00 0.00 H new ATOM 411 N PHE A 27 3.245 3.786 -6.936 1.00 0.00 N ATOM 412 CA PHE A 27 1.941 4.408 -7.136 1.00 0.00 C ATOM 413 C PHE A 27 1.999 5.912 -6.883 1.00 0.00 C ATOM 414 O PHE A 27 2.744 6.379 -6.020 1.00 0.00 O ATOM 415 CB PHE A 27 0.904 3.766 -6.211 1.00 0.00 C ATOM 416 CG PHE A 27 1.346 3.686 -4.778 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.083 4.722 -3.898 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.030 2.575 -4.313 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.490 4.652 -2.579 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.439 2.497 -2.996 1.00 0.00 C ATOM 421 CZ PHE A 27 2.169 3.536 -2.128 1.00 0.00 C ATOM 0 H PHE A 27 3.921 4.370 -6.444 1.00 0.00 H new ATOM 0 HA PHE A 27 1.650 4.248 -8.174 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.023 4.337 -6.266 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.681 2.761 -6.571 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.553 5.596 -4.247 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.246 1.760 -4.988 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.278 5.467 -1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.970 1.624 -2.646 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.488 3.477 -1.098 1.00 0.00 H new ATOM 431 N SER A 28 1.207 6.662 -7.641 1.00 0.00 N ATOM 432 CA SER A 28 1.154 8.113 -7.499 1.00 0.00 C ATOM 433 C SER A 28 -0.259 8.562 -7.140 1.00 0.00 C ATOM 434 O SER A 28 -1.226 7.840 -7.387 1.00 0.00 O ATOM 435 CB SER A 28 1.608 8.796 -8.792 1.00 0.00 C ATOM 436 OG SER A 28 0.785 8.420 -9.883 1.00 0.00 O ATOM 0 H SER A 28 0.591 6.288 -8.363 1.00 0.00 H new ATOM 0 HA SER A 28 1.830 8.403 -6.694 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.578 9.878 -8.665 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.643 8.529 -9.004 1.00 0.00 H new ATOM 0 HG SER A 28 0.162 7.719 -9.597 1.00 0.00 H new ATOM 442 N LYS A 29 -0.368 9.749 -6.547 1.00 0.00 N ATOM 443 CA LYS A 29 -1.663 10.300 -6.150 1.00 0.00 C ATOM 444 C LYS A 29 -2.701 10.126 -7.257 1.00 0.00 C ATOM 445 O LYS A 29 -2.709 10.875 -8.235 1.00 0.00 O ATOM 446 CB LYS A 29 -1.526 11.784 -5.798 1.00 0.00 C ATOM 447 CG LYS A 29 -2.799 12.398 -5.237 1.00 0.00 C ATOM 448 CD LYS A 29 -2.662 13.899 -5.028 1.00 0.00 C ATOM 449 CE LYS A 29 -1.610 14.231 -3.982 1.00 0.00 C ATOM 450 NZ LYS A 29 -1.456 15.700 -3.796 1.00 0.00 N ATOM 0 H LYS A 29 0.427 10.350 -6.330 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.002 9.751 -5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.724 11.903 -5.070 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.230 12.335 -6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.627 12.201 -5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.045 11.921 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.398 14.375 -5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.623 14.312 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.885 13.772 -3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.654 13.801 -4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.730 15.884 -3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.169 16.136 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.362 16.108 -3.487 1.00 0.00 H new ATOM 464 N GLY A 30 -3.574 9.133 -7.101 1.00 0.00 N ATOM 465 CA GLY A 30 -4.603 8.886 -8.096 1.00 0.00 C ATOM 466 C GLY A 30 -4.797 7.411 -8.392 1.00 0.00 C ATOM 467 O GLY A 30 -5.921 6.910 -8.364 1.00 0.00 O ATOM 0 H GLY A 30 -3.587 8.496 -6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.546 9.309 -7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.341 9.405 -9.018 1.00 0.00 H new ATOM 471 N ASP A 31 -3.701 6.715 -8.680 1.00 0.00 N ATOM 472 CA ASP A 31 -3.756 5.289 -8.988 1.00 0.00 C ATOM 473 C ASP A 31 -4.369 4.496 -7.838 1.00 0.00 C ATOM 474 O ASP A 31 -3.953 4.626 -6.687 1.00 0.00 O ATOM 475 CB ASP A 31 -2.353 4.762 -9.296 1.00 0.00 C ATOM 476 CG ASP A 31 -1.771 5.372 -10.554 1.00 0.00 C ATOM 477 OD1 ASP A 31 -1.128 6.438 -10.457 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.960 4.785 -11.641 1.00 0.00 O ATOM 0 H ASP A 31 -2.763 7.115 -8.707 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.391 5.160 -9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.695 4.975 -8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.391 3.678 -9.405 1.00 0.00 H new ATOM 483 N VAL A 32 -5.364 3.674 -8.161 1.00 0.00 N ATOM 484 CA VAL A 32 -6.039 2.853 -7.162 1.00 0.00 C ATOM 485 C VAL A 32 -5.388 1.477 -7.061 1.00 0.00 C ATOM 486 O VAL A 32 -5.020 0.883 -8.073 1.00 0.00 O ATOM 487 CB VAL A 32 -7.536 2.685 -7.492 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.228 1.833 -6.439 1.00 0.00 C ATOM 489 CG2 VAL A 32 -8.208 4.045 -7.612 1.00 0.00 C ATOM 0 H VAL A 32 -5.721 3.559 -9.110 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.946 3.368 -6.206 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.622 2.173 -8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.283 1.728 -6.692 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.763 0.848 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.135 2.312 -5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.264 3.910 -7.845 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.111 4.583 -6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.731 4.617 -8.408 1.00 0.00 H new ATOM 499 N ILE A 33 -5.253 0.973 -5.837 1.00 0.00 N ATOM 500 CA ILE A 33 -4.634 -0.331 -5.612 1.00 0.00 C ATOM 501 C ILE A 33 -5.601 -1.296 -4.935 1.00 0.00 C ATOM 502 O ILE A 33 -6.299 -0.930 -3.988 1.00 0.00 O ATOM 503 CB ILE A 33 -3.366 -0.209 -4.746 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.431 0.858 -5.316 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.652 -1.550 -4.655 1.00 0.00 C ATOM 506 CD1 ILE A 33 -2.680 2.244 -4.761 1.00 0.00 C ATOM 0 H ILE A 33 -5.563 1.446 -4.988 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.364 -0.721 -6.593 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.662 0.092 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.400 0.573 -5.109 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.543 0.885 -6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.758 -1.445 -4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.318 -2.287 -4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.368 -1.879 -5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.980 2.947 -5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.700 2.550 -4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.540 2.234 -3.680 1.00 0.00 H new ATOM 518 N HIS A 34 -5.639 -2.531 -5.427 1.00 0.00 N ATOM 519 CA HIS A 34 -6.513 -3.554 -4.864 1.00 0.00 C ATOM 520 C HIS A 34 -5.771 -4.377 -3.817 1.00 0.00 C ATOM 521 O HIS A 34 -4.819 -5.091 -4.135 1.00 0.00 O ATOM 522 CB HIS A 34 -7.050 -4.467 -5.967 1.00 0.00 C ATOM 523 CG HIS A 34 -8.022 -3.788 -6.882 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.664 -3.258 -8.104 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.349 -3.553 -6.747 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.727 -2.726 -8.680 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.763 -2.892 -7.878 1.00 0.00 N ATOM 0 H HIS A 34 -5.074 -2.847 -6.215 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.354 -3.055 -4.383 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.213 -4.845 -6.554 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.535 -5.330 -5.510 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.967 -3.833 -5.907 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.746 -2.238 -9.643 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.716 -2.580 -8.067 1.00 0.00 H new ATOM 536 N VAL A 35 -6.212 -4.270 -2.569 1.00 0.00 N ATOM 537 CA VAL A 35 -5.587 -4.995 -1.470 1.00 0.00 C ATOM 538 C VAL A 35 -5.970 -6.471 -1.485 1.00 0.00 C ATOM 539 O VAL A 35 -7.149 -6.818 -1.529 1.00 0.00 O ATOM 540 CB VAL A 35 -5.978 -4.390 -0.109 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.236 -5.085 1.022 1.00 0.00 C ATOM 542 CG2 VAL A 35 -5.707 -2.893 -0.093 1.00 0.00 C ATOM 0 H VAL A 35 -7.002 -3.687 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.510 -4.906 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.046 -4.546 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.527 -4.642 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.486 -6.146 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.162 -4.966 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.989 -2.482 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.646 -2.713 -0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.291 -2.409 -0.876 1.00 0.00 H new ATOM 552 N THR A 36 -4.961 -7.335 -1.443 1.00 0.00 N ATOM 553 CA THR A 36 -5.182 -8.776 -1.441 1.00 0.00 C ATOM 554 C THR A 36 -4.771 -9.381 -0.104 1.00 0.00 C ATOM 555 O THR A 36 -5.031 -10.552 0.169 1.00 0.00 O ATOM 556 CB THR A 36 -4.400 -9.469 -2.572 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.004 -9.166 -2.463 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.914 -9.025 -3.934 1.00 0.00 C ATOM 0 H THR A 36 -3.979 -7.061 -1.410 1.00 0.00 H new ATOM 0 HA THR A 36 -6.248 -8.938 -1.603 1.00 0.00 H new ATOM 0 HB THR A 36 -4.545 -10.545 -2.477 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.515 -9.612 -3.186 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.347 -9.527 -4.718 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.969 -9.283 -4.027 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.794 -7.946 -4.034 1.00 0.00 H new ATOM 566 N ARG A 37 -4.125 -8.565 0.725 1.00 0.00 N ATOM 567 CA ARG A 37 -3.676 -9.000 2.042 1.00 0.00 C ATOM 568 C ARG A 37 -3.617 -7.813 2.997 1.00 0.00 C ATOM 569 O ARG A 37 -2.635 -7.068 3.018 1.00 0.00 O ATOM 570 CB ARG A 37 -2.299 -9.663 1.942 1.00 0.00 C ATOM 571 CG ARG A 37 -1.827 -10.290 3.243 1.00 0.00 C ATOM 572 CD ARG A 37 -0.477 -10.966 3.072 1.00 0.00 C ATOM 573 NE ARG A 37 -0.505 -11.985 2.026 1.00 0.00 N ATOM 574 CZ ARG A 37 0.586 -12.545 1.510 1.00 0.00 C ATOM 575 NH1 ARG A 37 1.788 -12.194 1.947 1.00 0.00 N ATOM 576 NH2 ARG A 37 0.475 -13.457 0.554 1.00 0.00 N ATOM 0 H ARG A 37 -3.901 -7.595 0.505 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.388 -9.729 2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.331 -10.431 1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.570 -8.919 1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.757 -9.523 4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.561 -11.020 3.585 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.276 -10.216 2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.178 -11.423 4.015 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.413 -12.284 1.671 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.879 -11.492 2.682 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.622 -12.626 1.549 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.447 -13.730 0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.312 -13.886 0.159 1.00 0.00 H new ATOM 590 N VAL A 38 -4.673 -7.635 3.784 1.00 0.00 N ATOM 591 CA VAL A 38 -4.740 -6.531 4.734 1.00 0.00 C ATOM 592 C VAL A 38 -4.581 -7.021 6.170 1.00 0.00 C ATOM 593 O VAL A 38 -5.429 -7.745 6.690 1.00 0.00 O ATOM 594 CB VAL A 38 -6.064 -5.748 4.596 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.252 -6.695 4.559 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.216 -4.738 5.727 1.00 0.00 C ATOM 0 H VAL A 38 -5.494 -8.241 3.783 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.912 -5.862 4.499 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.036 -5.202 3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.173 -6.120 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.153 -7.369 3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.283 -7.276 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.156 -4.198 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.215 -5.260 6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.386 -4.032 5.698 1.00 0.00 H new ATOM 650 N TRP A 43 2.338 -3.308 6.811 1.00 0.00 N ATOM 651 CA TRP A 43 2.517 -3.350 5.363 1.00 0.00 C ATOM 652 C TRP A 43 1.405 -4.144 4.686 1.00 0.00 C ATOM 653 O TRP A 43 1.070 -5.250 5.111 1.00 0.00 O ATOM 654 CB TRP A 43 3.873 -3.965 5.015 1.00 0.00 C ATOM 655 CG TRP A 43 4.992 -2.970 4.986 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.747 -2.550 6.042 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.482 -2.270 3.838 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.678 -1.631 5.621 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.536 -1.442 4.271 1.00 0.00 C ATOM 660 CE3 TRP A 43 5.133 -2.264 2.484 1.00 0.00 C ATOM 661 CZ2 TRP A 43 7.243 -0.618 3.399 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.837 -1.445 1.620 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.881 -0.633 2.080 1.00 0.00 C ATOM 0 HA TRP A 43 2.477 -2.325 4.995 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.108 -4.742 5.742 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.804 -4.450 4.041 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.630 -2.890 7.060 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.363 -1.165 6.216 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.329 -2.887 2.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.048 0.010 3.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.577 -1.431 0.572 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.411 -0.006 1.379 1.00 0.00 H new ATOM 674 N TRP A 44 0.838 -3.568 3.629 1.00 0.00 N ATOM 675 CA TRP A 44 -0.230 -4.220 2.880 1.00 0.00 C ATOM 676 C TRP A 44 0.225 -4.528 1.457 1.00 0.00 C ATOM 677 O TRP A 44 0.857 -3.697 0.806 1.00 0.00 O ATOM 678 CB TRP A 44 -1.481 -3.334 2.838 1.00 0.00 C ATOM 679 CG TRP A 44 -2.114 -3.094 4.178 1.00 0.00 C ATOM 680 CD1 TRP A 44 -1.774 -3.666 5.372 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.209 -2.213 4.454 1.00 0.00 C ATOM 682 NE1 TRP A 44 -2.588 -3.189 6.372 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.478 -2.297 5.833 1.00 0.00 C ATOM 684 CE3 TRP A 44 -3.988 -1.360 3.667 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.491 -1.560 6.441 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -4.994 -0.629 4.270 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.238 -0.733 5.646 1.00 0.00 C ATOM 0 H TRP A 44 1.102 -2.650 3.272 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.474 -5.154 3.387 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.217 -2.373 2.397 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.217 -3.795 2.179 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.982 -4.387 5.510 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.538 -3.456 7.355 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.807 -1.274 2.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.680 -1.638 7.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.602 0.033 3.671 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.031 -0.149 6.088 1.00 0.00 H new ATOM 698 N GLU A 45 -0.101 -5.723 0.980 1.00 0.00 N ATOM 699 CA GLU A 45 0.272 -6.137 -0.370 1.00 0.00 C ATOM 700 C GLU A 45 -0.931 -6.076 -1.307 1.00 0.00 C ATOM 701 O GLU A 45 -2.056 -6.379 -0.909 1.00 0.00 O ATOM 702 CB GLU A 45 0.846 -7.555 -0.348 1.00 0.00 C ATOM 703 CG GLU A 45 1.276 -8.062 -1.716 1.00 0.00 C ATOM 704 CD GLU A 45 1.887 -9.448 -1.656 1.00 0.00 C ATOM 705 OE1 GLU A 45 1.122 -10.435 -1.649 1.00 0.00 O ATOM 706 OE2 GLU A 45 3.131 -9.547 -1.615 1.00 0.00 O ATOM 0 H GLU A 45 -0.623 -6.424 1.507 1.00 0.00 H new ATOM 0 HA GLU A 45 1.033 -5.450 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.703 -7.580 0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.098 -8.234 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.413 -8.077 -2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.998 -7.368 -2.146 1.00 0.00 H new ATOM 713 N GLY A 46 -0.685 -5.682 -2.554 1.00 0.00 N ATOM 714 CA GLY A 46 -1.758 -5.588 -3.529 1.00 0.00 C ATOM 715 C GLY A 46 -1.260 -5.693 -4.956 1.00 0.00 C ATOM 716 O GLY A 46 -0.123 -6.098 -5.196 1.00 0.00 O ATOM 0 H GLY A 46 0.237 -5.426 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.484 -6.380 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.280 -4.640 -3.399 1.00 0.00 H new ATOM 720 N THR A 47 -2.116 -5.327 -5.907 1.00 0.00 N ATOM 721 CA THR A 47 -1.760 -5.388 -7.321 1.00 0.00 C ATOM 722 C THR A 47 -2.203 -4.131 -8.066 1.00 0.00 C ATOM 723 O THR A 47 -3.185 -3.488 -7.696 1.00 0.00 O ATOM 724 CB THR A 47 -2.389 -6.622 -7.998 1.00 0.00 C ATOM 725 OG1 THR A 47 -1.906 -7.820 -7.380 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.074 -6.650 -9.486 1.00 0.00 C ATOM 0 H THR A 47 -3.060 -4.986 -5.724 1.00 0.00 H new ATOM 0 HA THR A 47 -0.674 -5.463 -7.369 1.00 0.00 H new ATOM 0 HB THR A 47 -3.470 -6.560 -7.876 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.312 -8.599 -7.815 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.530 -7.531 -9.938 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.472 -5.752 -9.959 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.994 -6.687 -9.629 1.00 0.00 H new ATOM 734 N LEU A 48 -1.467 -3.795 -9.121 1.00 0.00 N ATOM 735 CA LEU A 48 -1.777 -2.630 -9.941 1.00 0.00 C ATOM 736 C LEU A 48 -1.359 -2.879 -11.388 1.00 0.00 C ATOM 737 O LEU A 48 -0.491 -3.711 -11.655 1.00 0.00 O ATOM 738 CB LEU A 48 -1.079 -1.380 -9.394 1.00 0.00 C ATOM 739 CG LEU A 48 -1.407 -0.075 -10.127 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.908 0.175 -10.135 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.678 1.096 -9.484 1.00 0.00 C ATOM 0 H LEU A 48 -0.647 -4.317 -9.429 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.854 -2.462 -9.908 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.346 -1.265 -8.344 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.001 -1.539 -9.433 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.069 -0.170 -11.159 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.119 1.106 -10.660 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.411 -0.649 -10.641 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.270 0.247 -9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.923 2.014 -10.018 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.986 1.189 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.397 0.925 -9.531 1.00 0.00 H new ATOM 753 N ASN A 49 -1.982 -2.161 -12.317 1.00 0.00 N ATOM 754 CA ASN A 49 -1.679 -2.319 -13.736 1.00 0.00 C ATOM 755 C ASN A 49 -0.198 -2.086 -14.026 1.00 0.00 C ATOM 756 O ASN A 49 0.263 -0.947 -14.098 1.00 0.00 O ATOM 757 CB ASN A 49 -2.537 -1.366 -14.575 1.00 0.00 C ATOM 758 CG ASN A 49 -2.443 0.073 -14.109 1.00 0.00 C ATOM 759 OD1 ASN A 49 -1.595 0.835 -14.575 1.00 0.00 O ATOM 760 ND2 ASN A 49 -3.318 0.455 -13.187 1.00 0.00 N ATOM 0 H ASN A 49 -2.699 -1.465 -12.114 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.915 -3.347 -14.010 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.225 -1.427 -15.618 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.577 -1.689 -14.534 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.305 1.413 -12.837 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.004 -0.209 -12.828 1.00 0.00 H new ATOM 767 N GLY A 50 0.544 -3.180 -14.182 1.00 0.00 N ATOM 768 CA GLY A 50 1.961 -3.085 -14.481 1.00 0.00 C ATOM 769 C GLY A 50 2.834 -2.980 -13.243 1.00 0.00 C ATOM 770 O GLY A 50 4.055 -3.109 -13.330 1.00 0.00 O ATOM 0 H GLY A 50 0.187 -4.132 -14.106 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.263 -3.961 -15.056 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.134 -2.214 -15.113 1.00 0.00 H new ATOM 774 N ARG A 51 2.216 -2.744 -12.091 1.00 0.00 N ATOM 775 CA ARG A 51 2.961 -2.620 -10.842 1.00 0.00 C ATOM 776 C ARG A 51 2.387 -3.535 -9.765 1.00 0.00 C ATOM 777 O ARG A 51 1.194 -3.489 -9.469 1.00 0.00 O ATOM 778 CB ARG A 51 2.949 -1.169 -10.362 1.00 0.00 C ATOM 779 CG ARG A 51 3.650 -0.212 -11.314 1.00 0.00 C ATOM 780 CD ARG A 51 3.514 1.231 -10.857 1.00 0.00 C ATOM 781 NE ARG A 51 4.108 2.165 -11.810 1.00 0.00 N ATOM 782 CZ ARG A 51 3.918 3.480 -11.772 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.147 4.016 -10.835 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.497 4.262 -12.673 1.00 0.00 N ATOM 0 H ARG A 51 1.206 -2.635 -11.995 1.00 0.00 H new ATOM 0 HA ARG A 51 3.990 -2.924 -11.031 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.916 -0.846 -10.230 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.428 -1.113 -9.385 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.706 -0.475 -11.383 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.229 -0.319 -12.314 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.459 1.471 -10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.994 1.350 -9.885 1.00 0.00 H new ATOM 0 HE ARG A 51 4.703 1.786 -12.547 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.698 3.419 -10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.003 5.025 -10.809 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.089 3.855 -13.397 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.350 5.271 -12.642 1.00 0.00 H new ATOM 798 N THR A 52 3.247 -4.366 -9.180 1.00 0.00 N ATOM 799 CA THR A 52 2.826 -5.294 -8.136 1.00 0.00 C ATOM 800 C THR A 52 3.859 -5.364 -7.015 1.00 0.00 C ATOM 801 O THR A 52 5.060 -5.248 -7.255 1.00 0.00 O ATOM 802 CB THR A 52 2.602 -6.711 -8.701 1.00 0.00 C ATOM 803 OG1 THR A 52 1.691 -6.661 -9.806 1.00 0.00 O ATOM 804 CG2 THR A 52 2.054 -7.641 -7.631 1.00 0.00 C ATOM 0 H THR A 52 4.239 -4.415 -9.412 1.00 0.00 H new ATOM 0 HA THR A 52 1.884 -4.917 -7.737 1.00 0.00 H new ATOM 0 HB THR A 52 3.563 -7.097 -9.039 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.556 -7.565 -10.160 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.904 -8.634 -8.054 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.762 -7.702 -6.804 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.102 -7.255 -7.266 1.00 0.00 H new ATOM 812 N GLY A 53 3.380 -5.556 -5.787 1.00 0.00 N ATOM 813 CA GLY A 53 4.273 -5.640 -4.645 1.00 0.00 C ATOM 814 C GLY A 53 3.653 -5.076 -3.381 1.00 0.00 C ATOM 815 O GLY A 53 2.468 -4.743 -3.358 1.00 0.00 O ATOM 0 H GLY A 53 2.390 -5.655 -5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.547 -6.682 -4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.193 -5.100 -4.867 1.00 0.00 H new ATOM 819 N TRP A 54 4.458 -4.969 -2.328 1.00 0.00 N ATOM 820 CA TRP A 54 3.985 -4.442 -1.051 1.00 0.00 C ATOM 821 C TRP A 54 3.956 -2.916 -1.065 1.00 0.00 C ATOM 822 O TRP A 54 4.669 -2.277 -1.838 1.00 0.00 O ATOM 823 CB TRP A 54 4.882 -4.933 0.089 1.00 0.00 C ATOM 824 CG TRP A 54 4.794 -6.409 0.330 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.428 -7.396 -0.369 1.00 0.00 C ATOM 826 CD2 TRP A 54 4.029 -7.066 1.347 1.00 0.00 C ATOM 827 NE1 TRP A 54 5.103 -8.625 0.151 1.00 0.00 N ATOM 828 CE2 TRP A 54 4.244 -8.449 1.205 1.00 0.00 C ATOM 829 CE3 TRP A 54 3.181 -6.617 2.365 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.643 -9.387 2.040 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.586 -7.549 3.194 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.819 -8.919 3.029 1.00 0.00 C ATOM 0 H TRP A 54 5.441 -5.240 -2.333 1.00 0.00 H new ATOM 0 HA TRP A 54 2.970 -4.805 -0.892 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.916 -4.671 -0.135 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.612 -4.407 1.005 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.088 -7.234 -1.208 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.445 -9.523 -0.191 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.995 -5.562 2.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.820 -10.445 1.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.929 -7.214 3.983 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.340 -9.621 3.695 1.00 0.00 H new ATOM 843 N PHE A 55 3.122 -2.340 -0.203 1.00 0.00 N ATOM 844 CA PHE A 55 2.999 -0.890 -0.102 1.00 0.00 C ATOM 845 C PHE A 55 2.604 -0.477 1.316 1.00 0.00 C ATOM 846 O PHE A 55 1.837 -1.176 1.979 1.00 0.00 O ATOM 847 CB PHE A 55 1.974 -0.359 -1.109 1.00 0.00 C ATOM 848 CG PHE A 55 0.602 -0.956 -0.962 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.330 -0.384 -0.110 1.00 0.00 C ATOM 850 CD2 PHE A 55 0.244 -2.085 -1.679 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.594 -0.928 0.023 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.019 -2.633 -1.550 1.00 0.00 C ATOM 853 CZ PHE A 55 -1.938 -2.054 -0.698 1.00 0.00 C ATOM 0 H PHE A 55 2.520 -2.858 0.437 1.00 0.00 H new ATOM 0 HA PHE A 55 3.971 -0.455 -0.334 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.901 0.723 -1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.337 -0.554 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.066 0.497 0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.959 -2.543 -2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.311 -0.473 0.690 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.286 -3.513 -2.115 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.925 -2.481 -0.596 1.00 0.00 H new ATOM 863 N PRO A 56 3.127 0.665 1.804 1.00 0.00 N ATOM 864 CA PRO A 56 2.823 1.157 3.152 1.00 0.00 C ATOM 865 C PRO A 56 1.351 1.517 3.317 1.00 0.00 C ATOM 866 O PRO A 56 0.685 1.897 2.355 1.00 0.00 O ATOM 867 CB PRO A 56 3.697 2.408 3.290 1.00 0.00 C ATOM 868 CG PRO A 56 3.986 2.830 1.891 1.00 0.00 C ATOM 869 CD PRO A 56 4.049 1.564 1.085 1.00 0.00 C ATOM 0 HA PRO A 56 3.021 0.401 3.912 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.179 3.193 3.840 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.616 2.190 3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.208 3.495 1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.927 3.377 1.834 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.733 1.726 0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.060 1.159 1.048 1.00 0.00 H new ATOM 877 N SER A 57 0.853 1.394 4.543 1.00 0.00 N ATOM 878 CA SER A 57 -0.541 1.706 4.839 1.00 0.00 C ATOM 879 C SER A 57 -0.690 3.152 5.305 1.00 0.00 C ATOM 880 O SER A 57 -1.803 3.665 5.423 1.00 0.00 O ATOM 881 CB SER A 57 -1.081 0.757 5.910 1.00 0.00 C ATOM 882 OG SER A 57 -0.355 0.887 7.119 1.00 0.00 O ATOM 0 H SER A 57 1.394 1.080 5.348 1.00 0.00 H new ATOM 0 HA SER A 57 -1.117 1.577 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.135 0.969 6.090 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.019 -0.271 5.554 1.00 0.00 H new ATOM 0 HG SER A 57 -0.721 0.271 7.788 1.00 0.00 H new ATOM 888 N ASN A 58 0.440 3.803 5.567 1.00 0.00 N ATOM 889 CA ASN A 58 0.438 5.187 6.027 1.00 0.00 C ATOM 890 C ASN A 58 0.394 6.161 4.851 1.00 0.00 C ATOM 891 O ASN A 58 -0.082 7.288 4.985 1.00 0.00 O ATOM 892 CB ASN A 58 1.679 5.460 6.881 1.00 0.00 C ATOM 893 CG ASN A 58 1.664 6.844 7.499 1.00 0.00 C ATOM 894 OD1 ASN A 58 2.136 7.811 6.898 1.00 0.00 O ATOM 895 ND2 ASN A 58 1.122 6.947 8.706 1.00 0.00 N ATOM 0 H ASN A 58 1.369 3.393 5.468 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.457 5.339 6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.744 4.713 7.672 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.572 5.350 6.265 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.084 7.853 9.173 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.743 6.120 9.167 1.00 0.00 H new ATOM 902 N TYR A 59 0.895 5.720 3.700 1.00 0.00 N ATOM 903 CA TYR A 59 0.915 6.557 2.504 1.00 0.00 C ATOM 904 C TYR A 59 -0.319 6.322 1.641 1.00 0.00 C ATOM 905 O TYR A 59 -0.456 6.907 0.566 1.00 0.00 O ATOM 906 CB TYR A 59 2.181 6.287 1.689 1.00 0.00 C ATOM 907 CG TYR A 59 3.279 7.301 1.922 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.717 7.598 3.207 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.876 7.962 0.856 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.718 8.526 3.422 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.879 8.890 1.063 1.00 0.00 C ATOM 912 CZ TYR A 59 5.296 9.169 2.348 1.00 0.00 C ATOM 913 OH TYR A 59 6.291 10.094 2.557 1.00 0.00 O ATOM 0 H TYR A 59 1.292 4.789 3.570 1.00 0.00 H new ATOM 0 HA TYR A 59 0.910 7.598 2.826 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.557 5.294 1.935 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.926 6.277 0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.268 7.096 4.051 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.551 7.747 -0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.046 8.747 4.427 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.334 9.394 0.223 1.00 0.00 H new ATOM 0 HH TYR A 59 6.590 10.453 1.696 1.00 0.00 H new ATOM 923 N VAL A 60 -1.212 5.459 2.113 1.00 0.00 N ATOM 924 CA VAL A 60 -2.438 5.154 1.387 1.00 0.00 C ATOM 925 C VAL A 60 -3.657 5.271 2.296 1.00 0.00 C ATOM 926 O VAL A 60 -3.537 5.211 3.519 1.00 0.00 O ATOM 927 CB VAL A 60 -2.393 3.739 0.776 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.282 3.633 -0.256 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.216 2.690 1.862 1.00 0.00 C ATOM 0 H VAL A 60 -1.109 4.958 2.996 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.520 5.883 0.581 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.343 3.556 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.269 2.626 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.456 4.355 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.323 3.841 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.187 1.699 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.283 2.873 2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.051 2.745 2.561 1.00 0.00 H new ATOM 939 N ARG A 61 -4.831 5.441 1.692 1.00 0.00 N ATOM 940 CA ARG A 61 -6.072 5.562 2.452 1.00 0.00 C ATOM 941 C ARG A 61 -7.198 4.780 1.784 1.00 0.00 C ATOM 942 O ARG A 61 -7.453 4.936 0.590 1.00 0.00 O ATOM 943 CB ARG A 61 -6.469 7.034 2.599 1.00 0.00 C ATOM 944 CG ARG A 61 -6.681 7.752 1.277 1.00 0.00 C ATOM 945 CD ARG A 61 -7.011 9.220 1.494 1.00 0.00 C ATOM 946 NE ARG A 61 -7.208 9.933 0.234 1.00 0.00 N ATOM 947 CZ ARG A 61 -7.146 11.257 0.120 1.00 0.00 C ATOM 948 NH1 ARG A 61 -6.888 12.005 1.184 1.00 0.00 N ATOM 949 NH2 ARG A 61 -7.341 11.833 -1.059 1.00 0.00 N ATOM 0 H ARG A 61 -4.949 5.498 0.680 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.902 5.142 3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.386 7.096 3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.695 7.554 3.163 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.783 7.665 0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.490 7.273 0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.913 9.302 2.101 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.205 9.693 2.055 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.404 9.386 -0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.737 11.565 2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.841 13.020 1.095 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.539 11.261 -1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.293 12.848 -1.145 1.00 0.00 H new ATOM 963 N GLU A 62 -7.865 3.934 2.564 1.00 0.00 N ATOM 964 CA GLU A 62 -8.961 3.118 2.054 1.00 0.00 C ATOM 965 C GLU A 62 -10.008 3.977 1.353 1.00 0.00 C ATOM 966 O GLU A 62 -10.641 4.831 1.973 1.00 0.00 O ATOM 967 CB GLU A 62 -9.615 2.334 3.193 1.00 0.00 C ATOM 968 CG GLU A 62 -10.729 1.406 2.734 1.00 0.00 C ATOM 969 CD GLU A 62 -11.425 0.715 3.891 1.00 0.00 C ATOM 970 OE1 GLU A 62 -10.888 -0.296 4.388 1.00 0.00 O ATOM 971 OE2 GLU A 62 -12.507 1.187 4.299 1.00 0.00 O ATOM 0 H GLU A 62 -7.664 3.796 3.554 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.546 2.419 1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.852 1.747 3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.017 3.037 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.461 1.977 2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.317 0.654 2.061 1.00 0.00 H new ATOM 978 N VAL A 63 -10.180 3.745 0.057 1.00 0.00 N ATOM 979 CA VAL A 63 -11.152 4.493 -0.728 1.00 0.00 C ATOM 980 C VAL A 63 -12.420 3.672 -0.949 1.00 0.00 C ATOM 981 O VAL A 63 -12.356 2.478 -1.242 1.00 0.00 O ATOM 982 CB VAL A 63 -10.565 4.915 -2.092 1.00 0.00 C ATOM 983 CG1 VAL A 63 -10.142 3.699 -2.902 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.565 5.763 -2.865 1.00 0.00 C ATOM 0 H VAL A 63 -9.659 3.045 -0.471 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.403 5.391 -0.163 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.676 5.519 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.732 4.024 -3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.384 3.142 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.007 3.059 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.134 6.051 -3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.475 5.188 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.803 6.658 -2.291 1.00 0.00 H new