USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 831 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 34 MET CE :methyl -142:sc= -5.65! (180deg=-4.78!) USER MOD Set 1.2: A 58 ASN : amide:sc= -6.65! C(o=-12!,f=-11!) USER MOD Set 2.1: A 15 MET CE :methyl -117:sc= -2.72! (180deg=-5.37!) USER MOD Set 2.2: A 87 MET CE :methyl 131:sc= -1.73 (180deg=-2.26!) USER MOD Single : A 9 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.068) USER MOD Single : A 13 GLN : amide:sc= -4.07! K(o=-4.1!,f=-2) USER MOD Single : A 16 GLN : amide:sc= -0.616 K(o=-0.62,f=-2.4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -128:sc= 0 (180deg=-0.105) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 18:sc= 0.298 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 161:sc= -0.672 (180deg=-1.52) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 30:sc= -0.507 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -137:sc= 0.926 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= -1.42 (180deg=-1.69) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.339 K(o=-0.34,f=-3.3!) USER MOD Single : A 76 SER OG : rot 105:sc= 0.879 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -30:sc= -2.24 USER MOD Single : A 101 ASN : amide:sc= -0.84 K(o=-0.84,f=-9.2!) USER MOD Single : A 102 SER OG : rot 134:sc= -4.95! USER MOD Single : A 107 MET CE :methyl 149:sc= -11.4! (180deg=-16.6!) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 8 -0.821 -18.818 -5.822 1.00 0.00 N ATOM 116 CA PRO A 8 -0.151 -17.679 -5.217 1.00 0.00 C ATOM 117 C PRO A 8 -1.121 -16.512 -5.022 1.00 0.00 C ATOM 118 O PRO A 8 -0.716 -15.425 -4.611 1.00 0.00 O ATOM 119 CB PRO A 8 0.993 -17.349 -6.162 1.00 0.00 C ATOM 120 CG PRO A 8 0.646 -18.011 -7.485 1.00 0.00 C ATOM 121 CD PRO A 8 -0.484 -18.996 -7.231 1.00 0.00 C ATOM 0 HA PRO A 8 0.225 -17.894 -4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.102 -16.271 -6.282 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.940 -17.724 -5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.343 -17.263 -8.218 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.516 -18.525 -7.894 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.341 -18.790 -7.872 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.171 -20.020 -7.437 1.00 0.00 H new ATOM 129 N GLN A 9 -2.383 -16.776 -5.326 1.00 0.00 N ATOM 130 CA GLN A 9 -3.413 -15.761 -5.190 1.00 0.00 C ATOM 131 C GLN A 9 -3.826 -15.617 -3.724 1.00 0.00 C ATOM 132 O GLN A 9 -4.096 -14.510 -3.258 1.00 0.00 O ATOM 133 CB GLN A 9 -4.623 -16.087 -6.069 1.00 0.00 C ATOM 134 CG GLN A 9 -4.982 -14.901 -6.968 1.00 0.00 C ATOM 135 CD GLN A 9 -4.127 -14.897 -8.238 1.00 0.00 C ATOM 136 OE1 GLN A 9 -4.091 -15.851 -8.996 1.00 0.00 O ATOM 137 NE2 GLN A 9 -3.443 -13.772 -8.424 1.00 0.00 N ATOM 0 H GLN A 9 -2.715 -17.678 -5.666 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.004 -14.809 -5.528 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.406 -16.961 -6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.476 -16.343 -5.440 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.037 -14.950 -7.236 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.834 -13.969 -6.423 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.519 -13.011 -7.749 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.842 -13.670 -9.242 1.00 0.00 H new ATOM 146 N ARG A 10 -3.860 -16.749 -3.037 1.00 0.00 N ATOM 147 CA ARG A 10 -4.235 -16.762 -1.633 1.00 0.00 C ATOM 148 C ARG A 10 -3.257 -15.916 -0.816 1.00 0.00 C ATOM 149 O ARG A 10 -3.658 -14.956 -0.161 1.00 0.00 O ATOM 150 CB ARG A 10 -4.249 -18.189 -1.080 1.00 0.00 C ATOM 151 CG ARG A 10 -4.936 -18.240 0.287 1.00 0.00 C ATOM 152 CD ARG A 10 -3.915 -18.106 1.418 1.00 0.00 C ATOM 153 NE ARG A 10 -3.310 -19.424 1.712 1.00 0.00 N ATOM 154 CZ ARG A 10 -3.896 -20.373 2.472 1.00 0.00 C ATOM 155 NH1 ARG A 10 -5.110 -20.157 3.022 1.00 0.00 N ATOM 156 NH2 ARG A 10 -3.264 -21.516 2.671 1.00 0.00 N ATOM 0 H ARG A 10 -3.634 -17.664 -3.426 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.238 -16.344 -1.553 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.768 -18.848 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.227 -18.559 -0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.671 -17.438 0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.478 -19.180 0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.139 -17.395 1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.399 -17.711 2.311 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.393 -19.628 1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.591 -19.271 2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.546 -20.879 3.595 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.347 -21.671 2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.693 -22.243 3.243 1.00 0.00 H new ATOM 169 N VAL A 11 -1.991 -16.304 -0.880 1.00 0.00 N ATOM 170 CA VAL A 11 -0.952 -15.593 -0.154 1.00 0.00 C ATOM 171 C VAL A 11 -0.993 -14.111 -0.536 1.00 0.00 C ATOM 172 O VAL A 11 -0.905 -13.241 0.330 1.00 0.00 O ATOM 173 CB VAL A 11 0.408 -16.241 -0.418 1.00 0.00 C ATOM 174 CG1 VAL A 11 1.547 -15.349 0.081 1.00 0.00 C ATOM 175 CG2 VAL A 11 0.483 -17.633 0.213 1.00 0.00 C ATOM 0 H VAL A 11 -1.662 -17.102 -1.424 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.124 -15.657 0.920 1.00 0.00 H new ATOM 0 HB VAL A 11 0.522 -16.356 -1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.503 -15.833 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.511 -14.390 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.440 -15.188 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.460 -18.072 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.337 -17.553 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.295 -18.267 -0.212 1.00 0.00 H new ATOM 185 N ALA A 12 -1.124 -13.870 -1.832 1.00 0.00 N ATOM 186 CA ALA A 12 -1.176 -12.509 -2.339 1.00 0.00 C ATOM 187 C ALA A 12 -2.382 -11.788 -1.729 1.00 0.00 C ATOM 188 O ALA A 12 -2.296 -10.611 -1.385 1.00 0.00 O ATOM 189 CB ALA A 12 -1.224 -12.534 -3.868 1.00 0.00 C ATOM 0 H ALA A 12 -1.196 -14.594 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.281 -11.958 -2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.263 -11.513 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.333 -13.030 -4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.111 -13.077 -4.195 1.00 0.00 H new ATOM 195 N GLN A 13 -3.476 -12.527 -1.616 1.00 0.00 N ATOM 196 CA GLN A 13 -4.697 -11.974 -1.055 1.00 0.00 C ATOM 197 C GLN A 13 -4.487 -11.609 0.417 1.00 0.00 C ATOM 198 O GLN A 13 -4.449 -10.432 0.769 1.00 0.00 O ATOM 199 CB GLN A 13 -5.865 -12.947 -1.218 1.00 0.00 C ATOM 200 CG GLN A 13 -6.329 -13.010 -2.675 1.00 0.00 C ATOM 201 CD GLN A 13 -5.523 -12.044 -3.548 1.00 0.00 C ATOM 202 OE1 GLN A 13 -4.560 -12.413 -4.199 1.00 0.00 O ATOM 203 NE2 GLN A 13 -5.969 -10.792 -3.522 1.00 0.00 N ATOM 0 H GLN A 13 -3.542 -13.503 -1.903 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.946 -11.065 -1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.564 -13.940 -0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.694 -12.635 -0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.218 -14.026 -3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.389 -12.762 -2.734 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.782 -10.552 -2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.498 -10.072 -4.070 1.00 0.00 H new ATOM 212 N GLU A 14 -4.358 -12.643 1.236 1.00 0.00 N ATOM 213 CA GLU A 14 -4.154 -12.446 2.662 1.00 0.00 C ATOM 214 C GLU A 14 -3.224 -11.256 2.906 1.00 0.00 C ATOM 215 O GLU A 14 -3.418 -10.497 3.853 1.00 0.00 O ATOM 216 CB GLU A 14 -3.602 -13.715 3.317 1.00 0.00 C ATOM 217 CG GLU A 14 -2.301 -14.158 2.644 1.00 0.00 C ATOM 218 CD GLU A 14 -1.543 -15.156 3.523 1.00 0.00 C ATOM 219 OE1 GLU A 14 -1.148 -14.817 4.648 1.00 0.00 O ATOM 220 OE2 GLU A 14 -1.369 -16.321 2.998 1.00 0.00 O ATOM 0 H GLU A 14 -4.391 -13.619 0.940 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.119 -12.229 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.424 -13.533 4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.341 -14.514 3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.523 -14.613 1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.673 -13.288 2.450 1.00 0.00 H new ATOM 228 N MET A 15 -2.234 -11.129 2.032 1.00 0.00 N ATOM 229 CA MET A 15 -1.275 -10.044 2.141 1.00 0.00 C ATOM 230 C MET A 15 -1.893 -8.719 1.691 1.00 0.00 C ATOM 231 O MET A 15 -1.695 -7.688 2.332 1.00 0.00 O ATOM 232 CB MET A 15 -0.051 -10.356 1.278 1.00 0.00 C ATOM 233 CG MET A 15 1.214 -10.451 2.134 1.00 0.00 C ATOM 234 SD MET A 15 1.536 -12.154 2.560 1.00 0.00 S ATOM 235 CE MET A 15 3.107 -11.975 3.390 1.00 0.00 C ATOM 0 H MET A 15 -2.077 -11.760 1.246 1.00 0.00 H new ATOM 0 HA MET A 15 -0.979 -9.949 3.186 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.206 -11.295 0.747 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.074 -9.579 0.523 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.063 -10.037 1.590 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.095 -9.857 3.040 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.875 -12.516 2.837 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.373 -10.919 3.442 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.034 -12.380 4.399 1.00 0.00 H new ATOM 245 N GLN A 16 -2.629 -8.789 0.592 1.00 0.00 N ATOM 246 CA GLN A 16 -3.277 -7.608 0.049 1.00 0.00 C ATOM 247 C GLN A 16 -4.324 -7.076 1.031 1.00 0.00 C ATOM 248 O GLN A 16 -4.518 -5.868 1.144 1.00 0.00 O ATOM 249 CB GLN A 16 -3.906 -7.904 -1.314 1.00 0.00 C ATOM 250 CG GLN A 16 -4.065 -6.624 -2.135 1.00 0.00 C ATOM 251 CD GLN A 16 -5.534 -6.201 -2.210 1.00 0.00 C ATOM 252 OE1 GLN A 16 -6.396 -6.730 -1.528 1.00 0.00 O ATOM 253 NE2 GLN A 16 -5.770 -5.219 -3.076 1.00 0.00 N ATOM 0 H GLN A 16 -2.791 -9.646 0.063 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.519 -6.838 -0.096 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.284 -8.614 -1.859 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.880 -8.374 -1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.475 -5.825 -1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.676 -6.782 -3.141 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.002 -4.820 -3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.719 -4.865 -3.200 1.00 0.00 H new ATOM 262 N LYS A 17 -4.971 -8.008 1.717 1.00 0.00 N ATOM 263 CA LYS A 17 -5.992 -7.649 2.686 1.00 0.00 C ATOM 264 C LYS A 17 -5.321 -7.136 3.962 1.00 0.00 C ATOM 265 O LYS A 17 -5.794 -6.180 4.574 1.00 0.00 O ATOM 266 CB LYS A 17 -6.945 -8.824 2.921 1.00 0.00 C ATOM 267 CG LYS A 17 -8.137 -8.398 3.778 1.00 0.00 C ATOM 268 CD LYS A 17 -8.665 -9.573 4.605 1.00 0.00 C ATOM 269 CE LYS A 17 -8.236 -9.449 6.068 1.00 0.00 C ATOM 270 NZ LYS A 17 -9.025 -10.367 6.919 1.00 0.00 N ATOM 0 H LYS A 17 -4.808 -9.010 1.621 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.612 -6.838 2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.299 -9.207 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.411 -9.637 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.841 -7.586 4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.931 -8.013 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.753 -9.607 4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.293 -10.510 4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.175 -9.678 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.372 -8.422 6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.721 -10.270 7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.035 -10.130 6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.874 -11.347 6.605 1.00 0.00 H new ATOM 283 N GLU A 18 -4.231 -7.795 4.324 1.00 0.00 N ATOM 284 CA GLU A 18 -3.490 -7.418 5.517 1.00 0.00 C ATOM 285 C GLU A 18 -2.833 -6.050 5.321 1.00 0.00 C ATOM 286 O GLU A 18 -2.831 -5.224 6.233 1.00 0.00 O ATOM 287 CB GLU A 18 -2.448 -8.480 5.873 1.00 0.00 C ATOM 288 CG GLU A 18 -1.762 -8.150 7.202 1.00 0.00 C ATOM 289 CD GLU A 18 -2.443 -8.874 8.365 1.00 0.00 C ATOM 290 OE1 GLU A 18 -3.536 -8.472 8.790 1.00 0.00 O ATOM 291 OE2 GLU A 18 -1.796 -9.888 8.829 1.00 0.00 O ATOM 0 H GLU A 18 -3.842 -8.588 3.813 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.189 -7.349 6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.927 -9.457 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.702 -8.544 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.712 -8.438 7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.790 -7.074 7.372 1.00 0.00 H new ATOM 299 N ILE A 19 -2.292 -5.852 4.129 1.00 0.00 N ATOM 300 CA ILE A 19 -1.635 -4.598 3.803 1.00 0.00 C ATOM 301 C ILE A 19 -2.693 -3.528 3.526 1.00 0.00 C ATOM 302 O ILE A 19 -2.527 -2.372 3.908 1.00 0.00 O ATOM 303 CB ILE A 19 -0.645 -4.795 2.654 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.368 -4.823 1.306 1.00 0.00 C ATOM 305 CG2 ILE A 19 0.209 -6.046 2.874 1.00 0.00 C ATOM 306 CD1 ILE A 19 -0.405 -5.196 0.176 1.00 0.00 C ATOM 0 H ILE A 19 -2.295 -6.540 3.376 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.042 -4.249 4.648 1.00 0.00 H new ATOM 0 HB ILE A 19 0.033 -3.942 2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.187 -5.541 1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.809 -3.847 1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.904 -6.163 2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.769 -5.946 3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.437 -6.922 2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.944 -5.209 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.399 -4.462 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.016 -6.183 0.368 1.00 0.00 H new ATOM 318 N ALA A 20 -3.759 -3.954 2.864 1.00 0.00 N ATOM 319 CA ALA A 20 -4.845 -3.047 2.531 1.00 0.00 C ATOM 320 C ALA A 20 -5.416 -2.447 3.818 1.00 0.00 C ATOM 321 O ALA A 20 -5.810 -1.282 3.843 1.00 0.00 O ATOM 322 CB ALA A 20 -5.904 -3.794 1.719 1.00 0.00 C ATOM 0 H ALA A 20 -3.894 -4.915 2.549 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.481 -2.224 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.718 -3.114 1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.456 -4.176 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.293 -4.626 2.306 1.00 0.00 H new ATOM 328 N LEU A 21 -5.438 -3.269 4.857 1.00 0.00 N ATOM 329 CA LEU A 21 -5.953 -2.834 6.144 1.00 0.00 C ATOM 330 C LEU A 21 -4.928 -1.916 6.815 1.00 0.00 C ATOM 331 O LEU A 21 -5.225 -0.761 7.113 1.00 0.00 O ATOM 332 CB LEU A 21 -6.350 -4.039 6.998 1.00 0.00 C ATOM 333 CG LEU A 21 -6.788 -3.732 8.432 1.00 0.00 C ATOM 334 CD1 LEU A 21 -8.273 -4.037 8.629 1.00 0.00 C ATOM 335 CD2 LEU A 21 -5.911 -4.472 9.444 1.00 0.00 C ATOM 0 H LEU A 21 -5.108 -4.234 4.834 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.865 -2.252 6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.163 -4.563 6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.504 -4.726 7.037 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.653 -2.665 8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.558 -3.810 9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.864 -3.427 7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.458 -5.092 8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.244 -4.236 10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.990 -5.546 9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.873 -4.161 9.322 1.00 0.00 H new ATOM 347 N ILE A 22 -3.743 -2.465 7.033 1.00 0.00 N ATOM 348 CA ILE A 22 -2.673 -1.711 7.663 1.00 0.00 C ATOM 349 C ILE A 22 -2.387 -0.455 6.837 1.00 0.00 C ATOM 350 O ILE A 22 -1.818 0.509 7.346 1.00 0.00 O ATOM 351 CB ILE A 22 -1.446 -2.599 7.877 1.00 0.00 C ATOM 352 CG1 ILE A 22 -1.748 -3.724 8.869 1.00 0.00 C ATOM 353 CG2 ILE A 22 -0.234 -1.767 8.305 1.00 0.00 C ATOM 354 CD1 ILE A 22 -0.724 -4.854 8.746 1.00 0.00 C ATOM 0 H ILE A 22 -3.500 -3.424 6.784 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.974 -1.379 8.657 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.195 -3.068 6.926 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.739 -3.330 9.885 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.749 -4.115 8.687 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.624 -2.423 8.450 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.004 -1.034 7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.458 -1.251 9.238 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.962 -5.640 9.462 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.752 -5.262 7.736 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.273 -4.465 8.952 1.00 0.00 H new ATOM 366 N LEU A 23 -2.793 -0.508 5.578 1.00 0.00 N ATOM 367 CA LEU A 23 -2.588 0.615 4.678 1.00 0.00 C ATOM 368 C LEU A 23 -3.768 1.581 4.797 1.00 0.00 C ATOM 369 O LEU A 23 -3.679 2.731 4.370 1.00 0.00 O ATOM 370 CB LEU A 23 -2.341 0.119 3.252 1.00 0.00 C ATOM 371 CG LEU A 23 -2.024 1.196 2.212 1.00 0.00 C ATOM 372 CD1 LEU A 23 -1.110 0.648 1.115 1.00 0.00 C ATOM 373 CD2 LEU A 23 -3.308 1.801 1.640 1.00 0.00 C ATOM 0 H LEU A 23 -3.263 -1.310 5.159 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.693 1.170 4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.514 -0.591 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.223 -0.429 2.921 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.482 2.001 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.901 1.434 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.175 0.305 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.602 -0.186 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.054 2.563 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.898 1.018 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.887 2.253 2.445 1.00 0.00 H new ATOM 385 N GLN A 24 -4.848 1.079 5.378 1.00 0.00 N ATOM 386 CA GLN A 24 -6.044 1.883 5.558 1.00 0.00 C ATOM 387 C GLN A 24 -6.273 2.167 7.045 1.00 0.00 C ATOM 388 O GLN A 24 -7.150 2.953 7.402 1.00 0.00 O ATOM 389 CB GLN A 24 -7.263 1.199 4.938 1.00 0.00 C ATOM 390 CG GLN A 24 -7.549 1.752 3.540 1.00 0.00 C ATOM 391 CD GLN A 24 -8.302 0.729 2.688 1.00 0.00 C ATOM 392 OE1 GLN A 24 -9.181 0.020 3.154 1.00 0.00 O ATOM 393 NE2 GLN A 24 -7.912 0.690 1.418 1.00 0.00 N ATOM 0 H GLN A 24 -4.919 0.124 5.730 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.900 2.833 5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.091 0.124 4.880 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.133 1.349 5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.137 2.666 3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.611 2.017 3.051 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.171 1.311 1.093 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.354 0.040 0.768 1.00 0.00 H new ATOM 402 N ARG A 25 -5.468 1.515 7.870 1.00 0.00 N ATOM 403 CA ARG A 25 -5.572 1.689 9.309 1.00 0.00 C ATOM 404 C ARG A 25 -4.307 2.352 9.856 1.00 0.00 C ATOM 405 O ARG A 25 -4.368 3.446 10.417 1.00 0.00 O ATOM 406 CB ARG A 25 -5.778 0.345 10.012 1.00 0.00 C ATOM 407 CG ARG A 25 -7.235 0.174 10.448 1.00 0.00 C ATOM 408 CD ARG A 25 -7.369 0.282 11.968 1.00 0.00 C ATOM 409 NE ARG A 25 -8.737 -0.099 12.385 1.00 0.00 N ATOM 410 CZ ARG A 25 -9.222 -1.358 12.333 1.00 0.00 C ATOM 411 NH1 ARG A 25 -8.450 -2.370 11.880 1.00 0.00 N ATOM 412 NH2 ARG A 25 -10.459 -1.585 12.730 1.00 0.00 N ATOM 0 H ARG A 25 -4.741 0.865 7.570 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.435 2.326 9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.497 -0.467 9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.124 0.281 10.882 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.853 0.934 9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.607 -0.795 10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.639 -0.366 12.452 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.153 1.301 12.289 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.352 0.636 12.734 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.494 -2.185 11.575 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.823 -3.319 11.843 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.035 -0.815 13.070 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.840 -2.531 12.697 1.00 0.00 H new ATOM 425 N GLU A 26 -3.190 1.666 9.674 1.00 0.00 N ATOM 426 CA GLU A 26 -1.912 2.175 10.142 1.00 0.00 C ATOM 427 C GLU A 26 -1.519 3.427 9.355 1.00 0.00 C ATOM 428 O GLU A 26 -0.677 4.206 9.800 1.00 0.00 O ATOM 429 CB GLU A 26 -0.825 1.103 10.045 1.00 0.00 C ATOM 430 CG GLU A 26 0.219 1.475 8.992 1.00 0.00 C ATOM 431 CD GLU A 26 1.214 2.499 9.542 1.00 0.00 C ATOM 432 OE1 GLU A 26 2.012 3.062 8.777 1.00 0.00 O ATOM 433 OE2 GLU A 26 1.137 2.705 10.813 1.00 0.00 O ATOM 0 H GLU A 26 -3.143 0.760 9.208 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.015 2.447 11.193 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.342 0.981 11.014 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.277 0.144 9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.753 0.580 8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.277 1.882 8.111 1.00 0.00 H new ATOM 441 N ILE A 27 -2.147 3.581 8.198 1.00 0.00 N ATOM 442 CA ILE A 27 -1.873 4.723 7.345 1.00 0.00 C ATOM 443 C ILE A 27 -2.710 5.917 7.813 1.00 0.00 C ATOM 444 O ILE A 27 -3.526 5.786 8.725 1.00 0.00 O ATOM 445 CB ILE A 27 -2.091 4.360 5.874 1.00 0.00 C ATOM 446 CG1 ILE A 27 -0.808 4.553 5.065 1.00 0.00 C ATOM 447 CG2 ILE A 27 -3.265 5.145 5.284 1.00 0.00 C ATOM 448 CD1 ILE A 27 -1.120 4.771 3.584 1.00 0.00 C ATOM 0 H ILE A 27 -2.845 2.933 7.832 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.826 5.014 7.426 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.350 3.303 5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.255 5.408 5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.167 3.679 5.180 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.399 4.869 4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.174 4.913 5.840 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.060 6.213 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.190 4.905 3.032 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.652 3.904 3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.741 5.659 3.470 1.00 0.00 H new ATOM 460 N LYS A 28 -2.478 7.051 7.169 1.00 0.00 N ATOM 461 CA LYS A 28 -3.199 8.266 7.510 1.00 0.00 C ATOM 462 C LYS A 28 -4.289 8.516 6.464 1.00 0.00 C ATOM 463 O LYS A 28 -4.173 9.430 5.648 1.00 0.00 O ATOM 464 CB LYS A 28 -2.229 9.436 7.679 1.00 0.00 C ATOM 465 CG LYS A 28 -1.452 9.695 6.386 1.00 0.00 C ATOM 466 CD LYS A 28 0.056 9.635 6.631 1.00 0.00 C ATOM 467 CE LYS A 28 0.483 8.239 7.085 1.00 0.00 C ATOM 468 NZ LYS A 28 1.831 8.281 7.697 1.00 0.00 N ATOM 0 H LYS A 28 -1.801 7.154 6.413 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.698 8.156 8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.781 10.333 7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.532 9.221 8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.732 8.956 5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.720 10.673 5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.587 9.902 5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.334 10.368 7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.237 7.848 7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.485 7.558 6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.105 7.324 7.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.518 8.634 7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.818 8.914 8.522 1.00 0.00 H new ATOM 481 N ASP A 29 -5.322 7.689 6.522 1.00 0.00 N ATOM 482 CA ASP A 29 -6.430 7.810 5.590 1.00 0.00 C ATOM 483 C ASP A 29 -7.432 8.834 6.127 1.00 0.00 C ATOM 484 O ASP A 29 -7.894 9.701 5.387 1.00 0.00 O ATOM 485 CB ASP A 29 -7.160 6.475 5.427 1.00 0.00 C ATOM 486 CG ASP A 29 -8.686 6.562 5.469 1.00 0.00 C ATOM 487 OD1 ASP A 29 -9.291 7.464 4.870 1.00 0.00 O ATOM 488 OD2 ASP A 29 -9.267 5.642 6.164 1.00 0.00 O ATOM 0 H ASP A 29 -5.415 6.932 7.200 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.028 8.122 4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.863 6.029 4.478 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.828 5.798 6.214 1.00 0.00 H new ATOM 494 N PRO A 30 -7.747 8.694 7.442 1.00 0.00 N ATOM 495 CA PRO A 30 -8.686 9.597 8.086 1.00 0.00 C ATOM 496 C PRO A 30 -8.044 10.962 8.347 1.00 0.00 C ATOM 497 O PRO A 30 -8.732 11.917 8.704 1.00 0.00 O ATOM 498 CB PRO A 30 -9.106 8.885 9.361 1.00 0.00 C ATOM 499 CG PRO A 30 -8.044 7.828 9.617 1.00 0.00 C ATOM 500 CD PRO A 30 -7.219 7.679 8.348 1.00 0.00 C ATOM 0 HA PRO A 30 -9.554 9.815 7.463 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.171 9.584 10.195 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.090 8.431 9.248 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.409 8.120 10.453 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.507 6.878 9.885 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.158 7.836 8.544 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.320 6.679 7.925 1.00 0.00 H new ATOM 508 N ARG A 31 -6.734 11.009 8.160 1.00 0.00 N ATOM 509 CA ARG A 31 -5.991 12.240 8.371 1.00 0.00 C ATOM 510 C ARG A 31 -5.987 13.082 7.093 1.00 0.00 C ATOM 511 O ARG A 31 -5.852 14.304 7.152 1.00 0.00 O ATOM 512 CB ARG A 31 -4.547 11.949 8.786 1.00 0.00 C ATOM 513 CG ARG A 31 -4.463 10.654 9.598 1.00 0.00 C ATOM 514 CD ARG A 31 -3.179 10.615 10.432 1.00 0.00 C ATOM 515 NE ARG A 31 -3.510 10.412 11.861 1.00 0.00 N ATOM 516 CZ ARG A 31 -3.840 11.411 12.709 1.00 0.00 C ATOM 517 NH1 ARG A 31 -3.886 12.688 12.279 1.00 0.00 N ATOM 518 NH2 ARG A 31 -4.117 11.115 13.966 1.00 0.00 N ATOM 0 H ARG A 31 -6.167 10.214 7.864 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.483 12.791 9.173 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.919 11.868 7.899 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.160 12.779 9.377 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.330 10.574 10.254 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.491 9.796 8.926 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.532 9.810 10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.626 11.546 10.307 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.488 9.460 12.227 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.671 12.907 11.306 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.136 13.435 12.926 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.080 10.146 14.282 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.368 11.856 14.621 1.00 0.00 H new ATOM 531 N LEU A 32 -6.135 12.397 5.970 1.00 0.00 N ATOM 532 CA LEU A 32 -6.151 13.065 4.680 1.00 0.00 C ATOM 533 C LEU A 32 -7.567 13.560 4.384 1.00 0.00 C ATOM 534 O LEU A 32 -7.753 14.482 3.591 1.00 0.00 O ATOM 535 CB LEU A 32 -5.577 12.153 3.595 1.00 0.00 C ATOM 536 CG LEU A 32 -4.077 12.287 3.328 1.00 0.00 C ATOM 537 CD1 LEU A 32 -3.674 13.756 3.192 1.00 0.00 C ATOM 538 CD2 LEU A 32 -3.262 11.567 4.404 1.00 0.00 C ATOM 0 H LEU A 32 -6.245 11.384 5.926 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.504 13.942 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.786 11.119 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.110 12.349 2.665 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.855 11.802 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.603 13.823 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.218 14.207 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.913 14.286 4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.199 11.678 4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.483 12.001 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.522 10.509 4.410 1.00 0.00 H new ATOM 550 N GLY A 33 -8.530 12.925 5.035 1.00 0.00 N ATOM 551 CA GLY A 33 -9.925 13.289 4.852 1.00 0.00 C ATOM 552 C GLY A 33 -10.513 12.599 3.619 1.00 0.00 C ATOM 553 O GLY A 33 -11.517 13.050 3.071 1.00 0.00 O ATOM 0 H GLY A 33 -8.372 12.160 5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.497 13.010 5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.012 14.370 4.744 1.00 0.00 H new ATOM 557 N MET A 34 -9.862 11.516 3.219 1.00 0.00 N ATOM 558 CA MET A 34 -10.309 10.759 2.063 1.00 0.00 C ATOM 559 C MET A 34 -10.038 9.264 2.248 1.00 0.00 C ATOM 560 O MET A 34 -9.106 8.880 2.952 1.00 0.00 O ATOM 561 CB MET A 34 -9.580 11.258 0.813 1.00 0.00 C ATOM 562 CG MET A 34 -9.912 12.726 0.537 1.00 0.00 C ATOM 563 SD MET A 34 -8.778 13.390 -0.672 1.00 0.00 S ATOM 564 CE MET A 34 -7.571 14.137 0.412 1.00 0.00 C ATOM 0 H MET A 34 -9.029 11.145 3.675 1.00 0.00 H new ATOM 0 HA MET A 34 -11.384 10.904 1.951 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.504 11.143 0.944 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.863 10.649 -0.046 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.936 12.814 0.174 1.00 0.00 H new ATOM 0 HG3 MET A 34 -9.850 13.302 1.461 1.00 0.00 H new ATOM 0 HE1 MET A 34 -7.226 15.077 -0.020 1.00 0.00 H new ATOM 0 HE2 MET A 34 -8.025 14.329 1.384 1.00 0.00 H new ATOM 0 HE3 MET A 34 -6.724 13.462 0.534 1.00 0.00 H new ATOM 574 N MET A 35 -10.871 8.460 1.603 1.00 0.00 N ATOM 575 CA MET A 35 -10.734 7.017 1.687 1.00 0.00 C ATOM 576 C MET A 35 -9.791 6.491 0.602 1.00 0.00 C ATOM 577 O MET A 35 -10.186 6.354 -0.554 1.00 0.00 O ATOM 578 CB MET A 35 -12.108 6.363 1.530 1.00 0.00 C ATOM 579 CG MET A 35 -12.273 5.192 2.502 1.00 0.00 C ATOM 580 SD MET A 35 -13.889 4.460 2.309 1.00 0.00 S ATOM 581 CE MET A 35 -13.613 3.479 0.844 1.00 0.00 C ATOM 0 H MET A 35 -11.644 8.782 1.020 1.00 0.00 H new ATOM 0 HA MET A 35 -10.312 6.768 2.661 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.889 7.102 1.709 1.00 0.00 H new ATOM 0 HB3 MET A 35 -12.232 6.010 0.506 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.502 4.444 2.317 1.00 0.00 H new ATOM 0 HG3 MET A 35 -12.142 5.539 3.527 1.00 0.00 H new ATOM 0 HE1 MET A 35 -14.384 3.702 0.106 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.633 3.714 0.428 1.00 0.00 H new ATOM 0 HE3 MET A 35 -13.653 2.421 1.102 1.00 0.00 H new ATOM 591 N THR A 36 -8.563 6.211 1.015 1.00 0.00 N ATOM 592 CA THR A 36 -7.561 5.704 0.093 1.00 0.00 C ATOM 593 C THR A 36 -8.016 4.372 -0.508 1.00 0.00 C ATOM 594 O THR A 36 -9.000 3.788 -0.058 1.00 0.00 O ATOM 595 CB THR A 36 -6.232 5.609 0.845 1.00 0.00 C ATOM 596 OG1 THR A 36 -6.442 4.567 1.794 1.00 0.00 O ATOM 597 CG2 THR A 36 -5.956 6.846 1.704 1.00 0.00 C ATOM 0 H THR A 36 -8.240 6.326 1.976 1.00 0.00 H new ATOM 0 HA THR A 36 -7.425 6.377 -0.753 1.00 0.00 H new ATOM 0 HB THR A 36 -5.420 5.474 0.130 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.628 4.438 2.324 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.001 6.728 2.216 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.919 7.730 1.068 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.751 6.962 2.441 1.00 0.00 H new ATOM 605 N THR A 37 -7.277 3.931 -1.515 1.00 0.00 N ATOM 606 CA THR A 37 -7.591 2.679 -2.183 1.00 0.00 C ATOM 607 C THR A 37 -6.307 1.974 -2.624 1.00 0.00 C ATOM 608 O THR A 37 -5.245 2.591 -2.687 1.00 0.00 O ATOM 609 CB THR A 37 -8.544 2.986 -3.339 1.00 0.00 C ATOM 610 OG1 THR A 37 -9.830 3.030 -2.727 1.00 0.00 O ATOM 611 CG2 THR A 37 -8.646 1.831 -4.337 1.00 0.00 C ATOM 0 H THR A 37 -6.461 4.419 -1.885 1.00 0.00 H new ATOM 0 HA THR A 37 -8.090 1.984 -1.508 1.00 0.00 H new ATOM 0 HB THR A 37 -8.208 3.884 -3.857 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.728 3.136 -1.758 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.335 2.101 -5.137 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.662 1.627 -4.759 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.014 0.941 -3.827 1.00 0.00 H new ATOM 619 N VAL A 38 -6.447 0.689 -2.917 1.00 0.00 N ATOM 620 CA VAL A 38 -5.312 -0.107 -3.350 1.00 0.00 C ATOM 621 C VAL A 38 -5.666 -0.824 -4.656 1.00 0.00 C ATOM 622 O VAL A 38 -6.097 -1.976 -4.638 1.00 0.00 O ATOM 623 CB VAL A 38 -4.890 -1.067 -2.237 1.00 0.00 C ATOM 624 CG1 VAL A 38 -3.802 -2.027 -2.723 1.00 0.00 C ATOM 625 CG2 VAL A 38 -4.430 -0.300 -0.996 1.00 0.00 C ATOM 0 H VAL A 38 -7.329 0.180 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.453 0.532 -3.552 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.761 -1.661 -1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.520 -2.698 -1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.180 -2.611 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.929 -1.457 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.136 -1.007 -0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.580 0.332 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.246 0.322 -0.629 1.00 0.00 H new ATOM 635 N SER A 39 -5.471 -0.112 -5.757 1.00 0.00 N ATOM 636 CA SER A 39 -5.763 -0.666 -7.067 1.00 0.00 C ATOM 637 C SER A 39 -4.491 -1.249 -7.685 1.00 0.00 C ATOM 638 O SER A 39 -4.455 -1.545 -8.879 1.00 0.00 O ATOM 639 CB SER A 39 -6.364 0.396 -7.992 1.00 0.00 C ATOM 640 OG SER A 39 -7.645 0.012 -8.483 1.00 0.00 O ATOM 0 H SER A 39 -5.114 0.844 -5.768 1.00 0.00 H new ATOM 0 HA SER A 39 -6.497 -1.462 -6.946 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.450 1.340 -7.453 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.691 0.569 -8.832 1.00 0.00 H new ATOM 0 HG SER A 39 -7.996 0.716 -9.068 1.00 0.00 H new ATOM 646 N GLY A 40 -3.478 -1.400 -6.844 1.00 0.00 N ATOM 647 CA GLY A 40 -2.208 -1.943 -7.292 1.00 0.00 C ATOM 648 C GLY A 40 -1.463 -2.621 -6.140 1.00 0.00 C ATOM 649 O GLY A 40 -1.219 -2.002 -5.106 1.00 0.00 O ATOM 0 H GLY A 40 -3.512 -1.155 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.379 -2.663 -8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.593 -1.144 -7.707 1.00 0.00 H new ATOM 653 N VAL A 41 -1.125 -3.884 -6.358 1.00 0.00 N ATOM 654 CA VAL A 41 -0.414 -4.652 -5.351 1.00 0.00 C ATOM 655 C VAL A 41 0.500 -5.667 -6.039 1.00 0.00 C ATOM 656 O VAL A 41 0.053 -6.423 -6.901 1.00 0.00 O ATOM 657 CB VAL A 41 -1.410 -5.301 -4.387 1.00 0.00 C ATOM 658 CG1 VAL A 41 -0.685 -6.004 -3.239 1.00 0.00 C ATOM 659 CG2 VAL A 41 -2.410 -4.273 -3.857 1.00 0.00 C ATOM 0 H VAL A 41 -1.331 -4.394 -7.217 1.00 0.00 H new ATOM 0 HA VAL A 41 0.220 -3.999 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.968 -6.056 -4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.417 -6.456 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.033 -6.779 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.088 -5.278 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.106 -4.761 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.875 -3.484 -3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.963 -3.840 -4.691 1.00 0.00 H new ATOM 669 N GLU A 42 1.761 -5.649 -5.635 1.00 0.00 N ATOM 670 CA GLU A 42 2.742 -6.559 -6.203 1.00 0.00 C ATOM 671 C GLU A 42 3.683 -7.075 -5.112 1.00 0.00 C ATOM 672 O GLU A 42 4.245 -6.289 -4.351 1.00 0.00 O ATOM 673 CB GLU A 42 3.527 -5.885 -7.331 1.00 0.00 C ATOM 674 CG GLU A 42 2.582 -5.280 -8.372 1.00 0.00 C ATOM 675 CD GLU A 42 3.125 -5.480 -9.787 1.00 0.00 C ATOM 676 OE1 GLU A 42 3.957 -6.372 -10.012 1.00 0.00 O ATOM 677 OE2 GLU A 42 2.654 -4.670 -10.673 1.00 0.00 O ATOM 0 H GLU A 42 2.127 -5.019 -4.921 1.00 0.00 H new ATOM 0 HA GLU A 42 2.213 -7.410 -6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.166 -5.105 -6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.182 -6.614 -7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.598 -5.742 -8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.452 -4.216 -8.176 1.00 0.00 H new ATOM 685 N MET A 43 3.824 -8.391 -5.072 1.00 0.00 N ATOM 686 CA MET A 43 4.687 -9.020 -4.087 1.00 0.00 C ATOM 687 C MET A 43 5.680 -9.972 -4.755 1.00 0.00 C ATOM 688 O MET A 43 5.301 -11.049 -5.214 1.00 0.00 O ATOM 689 CB MET A 43 3.834 -9.797 -3.082 1.00 0.00 C ATOM 690 CG MET A 43 2.424 -9.210 -2.991 1.00 0.00 C ATOM 691 SD MET A 43 2.501 -7.525 -2.409 1.00 0.00 S ATOM 692 CE MET A 43 1.830 -7.733 -0.767 1.00 0.00 C ATOM 0 H MET A 43 3.356 -9.039 -5.705 1.00 0.00 H new ATOM 0 HA MET A 43 5.249 -8.239 -3.574 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.777 -10.844 -3.380 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.307 -9.770 -2.100 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.943 -9.244 -3.969 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.814 -9.810 -2.315 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.108 -6.879 -0.149 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.744 -7.801 -0.824 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.228 -8.646 -0.324 1.00 0.00 H new ATOM 702 N SER A 44 6.933 -9.541 -4.792 1.00 0.00 N ATOM 703 CA SER A 44 7.983 -10.342 -5.397 1.00 0.00 C ATOM 704 C SER A 44 8.953 -10.833 -4.322 1.00 0.00 C ATOM 705 O SER A 44 9.756 -10.056 -3.804 1.00 0.00 O ATOM 706 CB SER A 44 8.734 -9.547 -6.468 1.00 0.00 C ATOM 707 OG SER A 44 8.200 -9.768 -7.770 1.00 0.00 O ATOM 0 H SER A 44 7.244 -8.647 -4.412 1.00 0.00 H new ATOM 0 HA SER A 44 7.521 -11.203 -5.879 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.685 -8.484 -6.232 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.787 -9.828 -6.456 1.00 0.00 H new ATOM 0 HG SER A 44 8.705 -9.242 -8.424 1.00 0.00 H new ATOM 713 N ARG A 45 8.849 -12.117 -4.018 1.00 0.00 N ATOM 714 CA ARG A 45 9.708 -12.721 -3.013 1.00 0.00 C ATOM 715 C ARG A 45 10.837 -13.506 -3.682 1.00 0.00 C ATOM 716 O ARG A 45 11.715 -14.038 -3.003 1.00 0.00 O ATOM 717 CB ARG A 45 8.914 -13.659 -2.101 1.00 0.00 C ATOM 718 CG ARG A 45 8.197 -12.876 -0.999 1.00 0.00 C ATOM 719 CD ARG A 45 6.689 -12.824 -1.255 1.00 0.00 C ATOM 720 NE ARG A 45 6.120 -14.189 -1.202 1.00 0.00 N ATOM 721 CZ ARG A 45 5.840 -14.937 -2.290 1.00 0.00 C ATOM 722 NH1 ARG A 45 6.075 -14.455 -3.530 1.00 0.00 N ATOM 723 NH2 ARG A 45 5.332 -16.144 -2.125 1.00 0.00 N ATOM 0 H ARG A 45 8.183 -12.757 -4.450 1.00 0.00 H new ATOM 0 HA ARG A 45 10.129 -11.916 -2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.185 -14.214 -2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.586 -14.391 -1.653 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.389 -13.342 -0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.596 -11.863 -0.949 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.207 -12.191 -0.510 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.492 -12.377 -2.229 1.00 0.00 H new ATOM 0 HE ARG A 45 5.927 -14.590 -0.284 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.466 -13.521 -3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.861 -15.026 -4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.156 -16.499 -1.185 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.115 -16.721 -2.937 1.00 0.00 H new ATOM 736 N ASP A 46 10.779 -13.555 -5.004 1.00 0.00 N ATOM 737 CA ASP A 46 11.785 -14.267 -5.773 1.00 0.00 C ATOM 738 C ASP A 46 13.176 -13.857 -5.285 1.00 0.00 C ATOM 739 O ASP A 46 14.142 -14.600 -5.456 1.00 0.00 O ATOM 740 CB ASP A 46 11.687 -13.924 -7.261 1.00 0.00 C ATOM 741 CG ASP A 46 10.803 -14.864 -8.084 1.00 0.00 C ATOM 742 OD1 ASP A 46 10.210 -15.814 -7.549 1.00 0.00 O ATOM 743 OD2 ASP A 46 10.735 -14.588 -9.341 1.00 0.00 O ATOM 0 H ASP A 46 10.050 -13.112 -5.563 1.00 0.00 H new ATOM 0 HA ASP A 46 11.619 -15.336 -5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.303 -12.909 -7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.691 -13.928 -7.686 1.00 0.00 H new ATOM 749 N LEU A 47 13.235 -12.676 -4.687 1.00 0.00 N ATOM 750 CA LEU A 47 14.492 -12.159 -4.174 1.00 0.00 C ATOM 751 C LEU A 47 14.218 -11.296 -2.939 1.00 0.00 C ATOM 752 O LEU A 47 14.656 -11.625 -1.838 1.00 0.00 O ATOM 753 CB LEU A 47 15.261 -11.428 -5.276 1.00 0.00 C ATOM 754 CG LEU A 47 16.540 -12.108 -5.766 1.00 0.00 C ATOM 755 CD1 LEU A 47 16.441 -12.457 -7.252 1.00 0.00 C ATOM 756 CD2 LEU A 47 17.770 -11.250 -5.460 1.00 0.00 C ATOM 0 H LEU A 47 12.432 -12.062 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 47 15.138 -12.977 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.595 -11.294 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.518 -10.433 -4.913 1.00 0.00 H new ATOM 0 HG LEU A 47 16.658 -13.045 -5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.364 -12.939 -7.575 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.602 -13.135 -7.412 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.286 -11.546 -7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.666 -11.757 -5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.674 -10.286 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.847 -11.095 -4.384 1.00 0.00 H new ATOM 768 N ALA A 48 13.492 -10.211 -3.164 1.00 0.00 N ATOM 769 CA ALA A 48 13.154 -9.300 -2.085 1.00 0.00 C ATOM 770 C ALA A 48 12.698 -7.964 -2.675 1.00 0.00 C ATOM 771 O ALA A 48 13.406 -6.962 -2.575 1.00 0.00 O ATOM 772 CB ALA A 48 14.357 -9.144 -1.152 1.00 0.00 C ATOM 0 H ALA A 48 13.128 -9.943 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 48 12.330 -9.697 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.103 -8.460 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.623 -10.116 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.203 -8.745 -1.712 1.00 0.00 H new ATOM 778 N TYR A 49 11.518 -7.991 -3.276 1.00 0.00 N ATOM 779 CA TYR A 49 10.959 -6.795 -3.882 1.00 0.00 C ATOM 780 C TYR A 49 9.429 -6.847 -3.891 1.00 0.00 C ATOM 781 O TYR A 49 8.842 -7.899 -4.140 1.00 0.00 O ATOM 782 CB TYR A 49 11.464 -6.778 -5.327 1.00 0.00 C ATOM 783 CG TYR A 49 12.947 -7.126 -5.471 1.00 0.00 C ATOM 784 CD1 TYR A 49 13.907 -6.297 -4.930 1.00 0.00 C ATOM 785 CD2 TYR A 49 13.324 -8.271 -6.143 1.00 0.00 C ATOM 786 CE1 TYR A 49 15.303 -6.625 -5.066 1.00 0.00 C ATOM 787 CE2 TYR A 49 14.720 -8.599 -6.279 1.00 0.00 C ATOM 788 CZ TYR A 49 15.640 -7.761 -5.734 1.00 0.00 C ATOM 789 OH TYR A 49 16.957 -8.069 -5.862 1.00 0.00 O ATOM 0 H TYR A 49 10.933 -8.823 -3.356 1.00 0.00 H new ATOM 0 HA TYR A 49 11.257 -5.908 -3.324 1.00 0.00 H new ATOM 0 HB2 TYR A 49 10.877 -7.484 -5.915 1.00 0.00 H new ATOM 0 HB3 TYR A 49 11.291 -5.789 -5.750 1.00 0.00 H new ATOM 0 HD1 TYR A 49 13.612 -5.401 -4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.573 -8.921 -6.567 1.00 0.00 H new ATOM 0 HE1 TYR A 49 16.065 -5.984 -4.647 1.00 0.00 H new ATOM 0 HE2 TYR A 49 15.029 -9.492 -6.803 1.00 0.00 H new ATOM 0 HH TYR A 49 17.451 -7.719 -5.092 1.00 0.00 H new ATOM 799 N ALA A 50 8.829 -5.699 -3.613 1.00 0.00 N ATOM 800 CA ALA A 50 7.379 -5.602 -3.586 1.00 0.00 C ATOM 801 C ALA A 50 6.960 -4.184 -3.981 1.00 0.00 C ATOM 802 O ALA A 50 7.672 -3.222 -3.697 1.00 0.00 O ATOM 803 CB ALA A 50 6.867 -5.997 -2.200 1.00 0.00 C ATOM 0 H ALA A 50 9.319 -4.829 -3.405 1.00 0.00 H new ATOM 0 HA ALA A 50 6.934 -6.289 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.780 -5.924 -2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.166 -7.022 -1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.290 -5.327 -1.451 1.00 0.00 H new ATOM 809 N LYS A 51 5.807 -4.101 -4.626 1.00 0.00 N ATOM 810 CA LYS A 51 5.285 -2.816 -5.062 1.00 0.00 C ATOM 811 C LYS A 51 3.841 -2.666 -4.577 1.00 0.00 C ATOM 812 O LYS A 51 2.938 -3.320 -5.094 1.00 0.00 O ATOM 813 CB LYS A 51 5.444 -2.658 -6.576 1.00 0.00 C ATOM 814 CG LYS A 51 6.506 -3.617 -7.118 1.00 0.00 C ATOM 815 CD LYS A 51 6.956 -3.200 -8.520 1.00 0.00 C ATOM 816 CE LYS A 51 8.433 -2.804 -8.527 1.00 0.00 C ATOM 817 NZ LYS A 51 8.947 -2.745 -9.914 1.00 0.00 N ATOM 0 H LYS A 51 5.219 -4.902 -4.858 1.00 0.00 H new ATOM 0 HA LYS A 51 5.858 -2.002 -4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.490 -2.850 -7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.722 -1.631 -6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.364 -3.632 -6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.106 -4.630 -7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.793 -4.022 -9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.350 -2.363 -8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.558 -1.834 -8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.012 -3.524 -7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.951 -2.475 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.845 -3.678 -10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.406 -2.041 -10.455 1.00 0.00 H new ATOM 830 N VAL A 52 3.670 -1.800 -3.589 1.00 0.00 N ATOM 831 CA VAL A 52 2.353 -1.556 -3.027 1.00 0.00 C ATOM 832 C VAL A 52 1.831 -0.209 -3.533 1.00 0.00 C ATOM 833 O VAL A 52 2.395 0.838 -3.221 1.00 0.00 O ATOM 834 CB VAL A 52 2.411 -1.639 -1.501 1.00 0.00 C ATOM 835 CG1 VAL A 52 1.283 -0.823 -0.864 1.00 0.00 C ATOM 836 CG2 VAL A 52 2.366 -3.094 -1.030 1.00 0.00 C ATOM 0 H VAL A 52 4.422 -1.258 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 52 1.650 -2.322 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 52 3.359 -1.210 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.347 -0.899 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.377 0.222 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.320 -1.210 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.409 -3.125 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.440 -3.558 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.217 -3.636 -1.442 1.00 0.00 H new ATOM 846 N TYR A 53 0.757 -0.280 -4.307 1.00 0.00 N ATOM 847 CA TYR A 53 0.150 0.919 -4.858 1.00 0.00 C ATOM 848 C TYR A 53 -0.935 1.463 -3.927 1.00 0.00 C ATOM 849 O TYR A 53 -1.538 0.710 -3.165 1.00 0.00 O ATOM 850 CB TYR A 53 -0.492 0.498 -6.181 1.00 0.00 C ATOM 851 CG TYR A 53 -0.094 1.370 -7.373 1.00 0.00 C ATOM 852 CD1 TYR A 53 1.228 1.449 -7.759 1.00 0.00 C ATOM 853 CD2 TYR A 53 -1.057 2.079 -8.062 1.00 0.00 C ATOM 854 CE1 TYR A 53 1.604 2.271 -8.880 1.00 0.00 C ATOM 855 CE2 TYR A 53 -0.682 2.901 -9.183 1.00 0.00 C ATOM 856 CZ TYR A 53 0.630 2.956 -9.537 1.00 0.00 C ATOM 857 OH TYR A 53 0.984 3.732 -10.597 1.00 0.00 O ATOM 0 H TYR A 53 0.292 -1.150 -4.565 1.00 0.00 H new ATOM 0 HA TYR A 53 0.897 1.702 -4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.218 -0.535 -6.393 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.576 0.524 -6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.982 0.894 -7.220 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.092 2.017 -7.760 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.636 2.342 -9.192 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.426 3.461 -9.730 1.00 0.00 H new ATOM 0 HH TYR A 53 0.510 4.588 -10.549 1.00 0.00 H new ATOM 867 N VAL A 54 -1.152 2.768 -4.021 1.00 0.00 N ATOM 868 CA VAL A 54 -2.155 3.421 -3.197 1.00 0.00 C ATOM 869 C VAL A 54 -2.660 4.673 -3.915 1.00 0.00 C ATOM 870 O VAL A 54 -1.875 5.559 -4.251 1.00 0.00 O ATOM 871 CB VAL A 54 -1.582 3.715 -1.810 1.00 0.00 C ATOM 872 CG1 VAL A 54 -1.587 2.458 -0.936 1.00 0.00 C ATOM 873 CG2 VAL A 54 -0.174 4.305 -1.913 1.00 0.00 C ATOM 0 H VAL A 54 -0.650 3.390 -4.655 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.013 2.765 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.223 4.457 -1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.174 2.695 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.610 2.098 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.981 1.685 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.211 4.505 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.481 3.596 -2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.210 5.235 -2.481 1.00 0.00 H new ATOM 883 N THR A 55 -3.968 4.710 -4.127 1.00 0.00 N ATOM 884 CA THR A 55 -4.586 5.840 -4.797 1.00 0.00 C ATOM 885 C THR A 55 -5.406 6.666 -3.804 1.00 0.00 C ATOM 886 O THR A 55 -6.172 6.114 -3.015 1.00 0.00 O ATOM 887 CB THR A 55 -5.412 5.302 -5.967 1.00 0.00 C ATOM 888 OG1 THR A 55 -6.449 6.264 -6.132 1.00 0.00 O ATOM 889 CG2 THR A 55 -6.154 4.011 -5.615 1.00 0.00 C ATOM 0 H THR A 55 -4.616 3.974 -3.846 1.00 0.00 H new ATOM 0 HA THR A 55 -3.835 6.522 -5.196 1.00 0.00 H new ATOM 0 HB THR A 55 -4.758 5.124 -6.821 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.031 5.994 -6.872 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.725 3.672 -6.480 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.434 3.243 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.833 4.197 -4.783 1.00 0.00 H new ATOM 897 N PHE A 56 -5.217 7.976 -3.875 1.00 0.00 N ATOM 898 CA PHE A 56 -5.930 8.882 -2.992 1.00 0.00 C ATOM 899 C PHE A 56 -6.610 10.000 -3.786 1.00 0.00 C ATOM 900 O PHE A 56 -6.214 10.296 -4.912 1.00 0.00 O ATOM 901 CB PHE A 56 -4.892 9.501 -2.053 1.00 0.00 C ATOM 902 CG PHE A 56 -3.821 8.518 -1.576 1.00 0.00 C ATOM 903 CD1 PHE A 56 -4.186 7.331 -1.021 1.00 0.00 C ATOM 904 CD2 PHE A 56 -2.504 8.830 -1.706 1.00 0.00 C ATOM 905 CE1 PHE A 56 -3.193 6.418 -0.578 1.00 0.00 C ATOM 906 CE2 PHE A 56 -1.511 7.918 -1.263 1.00 0.00 C ATOM 907 CZ PHE A 56 -1.876 6.730 -0.708 1.00 0.00 C ATOM 0 H PHE A 56 -4.581 8.431 -4.530 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.701 8.338 -2.446 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.406 10.333 -2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.404 9.915 -1.184 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.232 7.083 -0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.213 9.772 -2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.484 5.476 -0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.465 8.167 -1.366 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.120 6.036 -0.371 1.00 0.00 H new ATOM 917 N LEU A 57 -7.623 10.589 -3.169 1.00 0.00 N ATOM 918 CA LEU A 57 -8.363 11.666 -3.803 1.00 0.00 C ATOM 919 C LEU A 57 -7.720 13.006 -3.437 1.00 0.00 C ATOM 920 O LEU A 57 -8.296 14.063 -3.687 1.00 0.00 O ATOM 921 CB LEU A 57 -9.849 11.579 -3.447 1.00 0.00 C ATOM 922 CG LEU A 57 -10.796 12.409 -4.315 1.00 0.00 C ATOM 923 CD1 LEU A 57 -11.162 11.663 -5.599 1.00 0.00 C ATOM 924 CD2 LEU A 57 -12.036 12.831 -3.524 1.00 0.00 C ATOM 0 H LEU A 57 -7.949 10.340 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.314 11.574 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.156 10.535 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.973 11.890 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.276 13.320 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.836 12.277 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.257 11.456 -6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.654 10.724 -5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.693 13.420 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.566 11.944 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.733 13.430 -2.665 1.00 0.00 H new ATOM 936 N ASN A 58 -6.536 12.916 -2.852 1.00 0.00 N ATOM 937 CA ASN A 58 -5.808 14.107 -2.449 1.00 0.00 C ATOM 938 C ASN A 58 -5.703 15.063 -3.638 1.00 0.00 C ATOM 939 O ASN A 58 -5.607 16.276 -3.458 1.00 0.00 O ATOM 940 CB ASN A 58 -4.389 13.759 -1.994 1.00 0.00 C ATOM 941 CG ASN A 58 -4.271 13.818 -0.470 1.00 0.00 C ATOM 942 OD1 ASN A 58 -3.745 12.922 0.172 1.00 0.00 O ATOM 943 ND2 ASN A 58 -4.785 14.918 0.070 1.00 0.00 N ATOM 0 H ASN A 58 -6.062 12.036 -2.647 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.348 14.568 -1.622 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.126 12.761 -2.344 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.679 14.452 -2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.754 15.052 1.081 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.210 15.628 -0.526 1.00 0.00 H new ATOM 950 N ASP A 59 -5.724 14.479 -4.827 1.00 0.00 N ATOM 951 CA ASP A 59 -5.633 15.264 -6.047 1.00 0.00 C ATOM 952 C ASP A 59 -6.467 16.536 -5.894 1.00 0.00 C ATOM 953 O ASP A 59 -6.043 17.615 -6.307 1.00 0.00 O ATOM 954 CB ASP A 59 -6.177 14.485 -7.245 1.00 0.00 C ATOM 955 CG ASP A 59 -6.696 15.348 -8.397 1.00 0.00 C ATOM 956 OD1 ASP A 59 -5.922 15.806 -9.251 1.00 0.00 O ATOM 957 OD2 ASP A 59 -7.971 15.547 -8.398 1.00 0.00 O ATOM 0 H ASP A 59 -5.803 13.472 -4.972 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.583 15.501 -6.217 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.389 13.835 -7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.985 13.839 -6.902 1.00 0.00 H new ATOM 963 N LYS A 60 -7.639 16.370 -5.297 1.00 0.00 N ATOM 964 CA LYS A 60 -8.536 17.494 -5.084 1.00 0.00 C ATOM 965 C LYS A 60 -7.721 18.723 -4.679 1.00 0.00 C ATOM 966 O LYS A 60 -7.979 19.827 -5.154 1.00 0.00 O ATOM 967 CB LYS A 60 -9.630 17.122 -4.081 1.00 0.00 C ATOM 968 CG LYS A 60 -10.916 16.709 -4.800 1.00 0.00 C ATOM 969 CD LYS A 60 -12.133 17.405 -4.188 1.00 0.00 C ATOM 970 CE LYS A 60 -12.579 16.702 -2.904 1.00 0.00 C ATOM 971 NZ LYS A 60 -12.713 17.678 -1.799 1.00 0.00 N ATOM 0 H LYS A 60 -7.988 15.475 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.055 17.748 -6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.285 16.305 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.831 17.970 -3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.842 16.961 -5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.041 15.628 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.891 18.445 -3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.952 17.411 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.531 16.198 -3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.855 15.934 -2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.016 17.185 -0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.796 18.140 -1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.421 18.396 -2.054 1.00 0.00 H new ATOM 984 N ASP A 61 -6.753 18.489 -3.804 1.00 0.00 N ATOM 985 CA ASP A 61 -5.899 19.563 -3.328 1.00 0.00 C ATOM 986 C ASP A 61 -4.434 19.161 -3.508 1.00 0.00 C ATOM 987 O ASP A 61 -3.975 18.189 -2.909 1.00 0.00 O ATOM 988 CB ASP A 61 -6.134 19.839 -1.842 1.00 0.00 C ATOM 989 CG ASP A 61 -7.501 19.399 -1.311 1.00 0.00 C ATOM 990 OD1 ASP A 61 -8.491 20.138 -1.406 1.00 0.00 O ATOM 991 OD2 ASP A 61 -7.525 18.226 -0.774 1.00 0.00 O ATOM 0 H ASP A 61 -6.542 17.571 -3.413 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.135 20.459 -3.902 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.358 19.334 -1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.019 20.908 -1.664 1.00 0.00 H new ATOM 997 N GLU A 62 -3.740 19.930 -4.335 1.00 0.00 N ATOM 998 CA GLU A 62 -2.335 19.666 -4.601 1.00 0.00 C ATOM 999 C GLU A 62 -1.501 19.920 -3.345 1.00 0.00 C ATOM 1000 O GLU A 62 -0.376 19.434 -3.234 1.00 0.00 O ATOM 1001 CB GLU A 62 -1.833 20.508 -5.775 1.00 0.00 C ATOM 1002 CG GLU A 62 -0.584 19.885 -6.402 1.00 0.00 C ATOM 1003 CD GLU A 62 -0.393 20.369 -7.841 1.00 0.00 C ATOM 1004 OE1 GLU A 62 -1.343 20.879 -8.455 1.00 0.00 O ATOM 1005 OE2 GLU A 62 0.794 20.201 -8.320 1.00 0.00 O ATOM 0 H GLU A 62 -4.124 20.735 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.227 18.617 -4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.617 20.594 -6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.607 21.518 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.293 20.143 -5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.669 18.798 -6.388 1.00 0.00 H new ATOM 1013 N ASP A 63 -2.083 20.682 -2.431 1.00 0.00 N ATOM 1014 CA ASP A 63 -1.406 21.007 -1.186 1.00 0.00 C ATOM 1015 C ASP A 63 -1.376 19.768 -0.289 1.00 0.00 C ATOM 1016 O ASP A 63 -0.352 19.463 0.321 1.00 0.00 O ATOM 1017 CB ASP A 63 -2.139 22.118 -0.434 1.00 0.00 C ATOM 1018 CG ASP A 63 -1.251 23.264 0.056 1.00 0.00 C ATOM 1019 OD1 ASP A 63 -0.424 23.798 -0.697 1.00 0.00 O ATOM 1020 OD2 ASP A 63 -1.436 23.609 1.285 1.00 0.00 O ATOM 0 H ASP A 63 -3.016 21.084 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.397 21.341 -1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.910 22.529 -1.086 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.648 21.680 0.425 1.00 0.00 H new ATOM 1026 N ALA A 64 -2.512 19.087 -0.236 1.00 0.00 N ATOM 1027 CA ALA A 64 -2.628 17.889 0.577 1.00 0.00 C ATOM 1028 C ALA A 64 -2.027 16.703 -0.180 1.00 0.00 C ATOM 1029 O ALA A 64 -1.689 15.684 0.421 1.00 0.00 O ATOM 1030 CB ALA A 64 -4.096 17.662 0.944 1.00 0.00 C ATOM 0 H ALA A 64 -3.359 19.342 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.072 18.002 1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.184 16.763 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.467 18.519 1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.684 17.542 0.034 1.00 0.00 H new ATOM 1036 N VAL A 65 -1.912 16.875 -1.489 1.00 0.00 N ATOM 1037 CA VAL A 65 -1.357 15.832 -2.335 1.00 0.00 C ATOM 1038 C VAL A 65 0.159 15.779 -2.144 1.00 0.00 C ATOM 1039 O VAL A 65 0.736 14.699 -2.021 1.00 0.00 O ATOM 1040 CB VAL A 65 -1.769 16.066 -3.790 1.00 0.00 C ATOM 1041 CG1 VAL A 65 -0.585 16.566 -4.620 1.00 0.00 C ATOM 1042 CG2 VAL A 65 -2.369 14.796 -4.400 1.00 0.00 C ATOM 0 H VAL A 65 -2.194 17.721 -1.984 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.754 14.857 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.537 16.839 -3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.904 16.725 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.220 17.505 -4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.214 15.825 -4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.654 14.989 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.631 13.994 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.250 14.500 -3.830 1.00 0.00 H new ATOM 1052 N LYS A 66 0.763 16.958 -2.124 1.00 0.00 N ATOM 1053 CA LYS A 66 2.203 17.060 -1.950 1.00 0.00 C ATOM 1054 C LYS A 66 2.556 16.769 -0.490 1.00 0.00 C ATOM 1055 O LYS A 66 3.393 15.914 -0.209 1.00 0.00 O ATOM 1056 CB LYS A 66 2.708 18.415 -2.448 1.00 0.00 C ATOM 1057 CG LYS A 66 4.230 18.408 -2.607 1.00 0.00 C ATOM 1058 CD LYS A 66 4.898 19.262 -1.529 1.00 0.00 C ATOM 1059 CE LYS A 66 6.321 18.776 -1.247 1.00 0.00 C ATOM 1060 NZ LYS A 66 6.296 17.484 -0.528 1.00 0.00 N ATOM 0 H LYS A 66 0.282 17.852 -2.225 1.00 0.00 H new ATOM 0 HA LYS A 66 2.715 16.314 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.240 18.653 -3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.416 19.196 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.601 17.385 -2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.498 18.786 -3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.923 20.304 -1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.309 19.224 -0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.866 18.666 -2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.854 19.519 -0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.215 17.325 -0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.546 17.502 0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.110 16.715 -1.203 1.00 0.00 H new ATOM 1073 N ALA A 67 1.902 17.499 0.401 1.00 0.00 N ATOM 1074 CA ALA A 67 2.137 17.332 1.824 1.00 0.00 C ATOM 1075 C ALA A 67 1.740 15.913 2.238 1.00 0.00 C ATOM 1076 O ALA A 67 2.528 15.199 2.856 1.00 0.00 O ATOM 1077 CB ALA A 67 1.367 18.402 2.599 1.00 0.00 C ATOM 0 H ALA A 67 1.209 18.208 0.164 1.00 0.00 H new ATOM 0 HA ALA A 67 3.194 17.460 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.544 18.276 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.706 19.390 2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.301 18.304 2.394 1.00 0.00 H new ATOM 1083 N GLY A 68 0.517 15.548 1.882 1.00 0.00 N ATOM 1084 CA GLY A 68 0.006 14.228 2.210 1.00 0.00 C ATOM 1085 C GLY A 68 0.954 13.135 1.711 1.00 0.00 C ATOM 1086 O GLY A 68 1.488 12.362 2.506 1.00 0.00 O ATOM 0 H GLY A 68 -0.134 16.143 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.120 14.140 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.978 14.093 1.762 1.00 0.00 H new ATOM 1090 N ILE A 69 1.130 13.101 0.400 1.00 0.00 N ATOM 1091 CA ILE A 69 2.004 12.115 -0.214 1.00 0.00 C ATOM 1092 C ILE A 69 3.395 12.211 0.415 1.00 0.00 C ATOM 1093 O ILE A 69 4.101 11.211 0.525 1.00 0.00 O ATOM 1094 CB ILE A 69 2.005 12.273 -1.737 1.00 0.00 C ATOM 1095 CG1 ILE A 69 2.324 10.944 -2.424 1.00 0.00 C ATOM 1096 CG2 ILE A 69 2.958 13.386 -2.172 1.00 0.00 C ATOM 1097 CD1 ILE A 69 2.398 11.117 -3.943 1.00 0.00 C ATOM 0 H ILE A 69 0.682 13.741 -0.256 1.00 0.00 H new ATOM 0 HA ILE A 69 1.635 11.107 -0.022 1.00 0.00 H new ATOM 0 HB ILE A 69 1.003 12.567 -2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.272 10.556 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.559 10.209 -2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.939 13.477 -3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.645 14.329 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.970 13.147 -1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.626 10.158 -4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.440 11.482 -4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.180 11.835 -4.190 1.00 0.00 H new ATOM 1109 N LYS A 70 3.749 13.426 0.810 1.00 0.00 N ATOM 1110 CA LYS A 70 5.043 13.665 1.424 1.00 0.00 C ATOM 1111 C LYS A 70 5.101 12.953 2.777 1.00 0.00 C ATOM 1112 O LYS A 70 6.160 12.486 3.192 1.00 0.00 O ATOM 1113 CB LYS A 70 5.326 15.167 1.507 1.00 0.00 C ATOM 1114 CG LYS A 70 6.604 15.440 2.304 1.00 0.00 C ATOM 1115 CD LYS A 70 6.549 16.814 2.976 1.00 0.00 C ATOM 1116 CE LYS A 70 7.887 17.543 2.845 1.00 0.00 C ATOM 1117 NZ LYS A 70 8.771 17.210 3.984 1.00 0.00 N ATOM 0 H LYS A 70 3.162 14.255 0.716 1.00 0.00 H new ATOM 0 HA LYS A 70 5.840 13.246 0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.425 15.578 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.484 15.674 1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.737 14.667 3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.468 15.390 1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.759 17.413 2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.296 16.697 4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.370 17.264 1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.720 18.619 2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.675 17.713 3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.315 17.498 4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.945 16.185 4.000 1.00 0.00 H new ATOM 1130 N ALA A 71 3.948 12.892 3.426 1.00 0.00 N ATOM 1131 CA ALA A 71 3.854 12.243 4.724 1.00 0.00 C ATOM 1132 C ALA A 71 3.821 10.726 4.530 1.00 0.00 C ATOM 1133 O ALA A 71 4.467 9.987 5.271 1.00 0.00 O ATOM 1134 CB ALA A 71 2.621 12.764 5.466 1.00 0.00 C ATOM 0 H ALA A 71 3.071 13.281 3.078 1.00 0.00 H new ATOM 0 HA ALA A 71 4.726 12.477 5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.550 12.278 6.439 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.708 13.842 5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.726 12.544 4.884 1.00 0.00 H new ATOM 1140 N LEU A 72 3.061 10.306 3.530 1.00 0.00 N ATOM 1141 CA LEU A 72 2.935 8.890 3.228 1.00 0.00 C ATOM 1142 C LEU A 72 4.271 8.364 2.701 1.00 0.00 C ATOM 1143 O LEU A 72 4.557 7.172 2.801 1.00 0.00 O ATOM 1144 CB LEU A 72 1.759 8.646 2.280 1.00 0.00 C ATOM 1145 CG LEU A 72 0.908 7.410 2.571 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -0.229 7.744 3.540 1.00 0.00 C ATOM 1147 CD2 LEU A 72 0.391 6.781 1.275 1.00 0.00 C ATOM 0 H LEU A 72 2.526 10.922 2.918 1.00 0.00 H new ATOM 0 HA LEU A 72 2.706 8.327 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.111 9.522 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.147 8.564 1.265 1.00 0.00 H new ATOM 0 HG LEU A 72 1.540 6.667 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.820 6.848 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.188 8.110 4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.866 8.512 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.211 5.904 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.220 7.506 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.235 6.485 0.652 1.00 0.00 H new ATOM 1159 N GLN A 73 5.054 9.280 2.147 1.00 0.00 N ATOM 1160 CA GLN A 73 6.353 8.923 1.603 1.00 0.00 C ATOM 1161 C GLN A 73 7.380 8.784 2.729 1.00 0.00 C ATOM 1162 O GLN A 73 8.095 7.785 2.802 1.00 0.00 O ATOM 1163 CB GLN A 73 6.813 9.949 0.565 1.00 0.00 C ATOM 1164 CG GLN A 73 7.951 9.391 -0.290 1.00 0.00 C ATOM 1165 CD GLN A 73 9.243 10.179 -0.066 1.00 0.00 C ATOM 1166 OE1 GLN A 73 9.286 11.158 0.662 1.00 0.00 O ATOM 1167 NE2 GLN A 73 10.291 9.701 -0.730 1.00 0.00 N ATOM 0 H GLN A 73 4.813 10.268 2.064 1.00 0.00 H new ATOM 0 HA GLN A 73 6.263 7.961 1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.975 10.225 -0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.143 10.858 1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.114 8.342 -0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.673 9.433 -1.343 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.187 8.877 -1.323 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.199 10.158 -0.647 1.00 0.00 H new ATOM 1176 N GLU A 74 7.421 9.800 3.580 1.00 0.00 N ATOM 1177 CA GLU A 74 8.348 9.803 4.698 1.00 0.00 C ATOM 1178 C GLU A 74 8.083 8.604 5.610 1.00 0.00 C ATOM 1179 O GLU A 74 9.000 8.090 6.250 1.00 0.00 O ATOM 1180 CB GLU A 74 8.261 11.115 5.478 1.00 0.00 C ATOM 1181 CG GLU A 74 7.167 11.047 6.544 1.00 0.00 C ATOM 1182 CD GLU A 74 7.741 10.609 7.894 1.00 0.00 C ATOM 1183 OE1 GLU A 74 8.774 9.926 7.934 1.00 0.00 O ATOM 1184 OE2 GLU A 74 7.075 11.006 8.924 1.00 0.00 O ATOM 0 H GLU A 74 6.827 10.627 3.517 1.00 0.00 H new ATOM 0 HA GLU A 74 9.361 9.719 4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.221 11.326 5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.055 11.937 4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.693 12.023 6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.392 10.348 6.230 1.00 0.00 H new ATOM 1192 N ALA A 75 6.824 8.191 5.642 1.00 0.00 N ATOM 1193 CA ALA A 75 6.426 7.061 6.466 1.00 0.00 C ATOM 1194 C ALA A 75 6.577 5.771 5.660 1.00 0.00 C ATOM 1195 O ALA A 75 6.069 4.723 6.058 1.00 0.00 O ATOM 1196 CB ALA A 75 4.996 7.274 6.966 1.00 0.00 C ATOM 0 H ALA A 75 6.066 8.619 5.110 1.00 0.00 H new ATOM 0 HA ALA A 75 7.068 6.978 7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.697 6.427 7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.950 8.189 7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.321 7.358 6.114 1.00 0.00 H new ATOM 1202 N SER A 76 7.277 5.887 4.541 1.00 0.00 N ATOM 1203 CA SER A 76 7.501 4.741 3.676 1.00 0.00 C ATOM 1204 C SER A 76 8.126 3.597 4.474 1.00 0.00 C ATOM 1205 O SER A 76 7.462 2.601 4.764 1.00 0.00 O ATOM 1206 CB SER A 76 8.395 5.112 2.491 1.00 0.00 C ATOM 1207 OG SER A 76 7.651 5.690 1.421 1.00 0.00 O ATOM 0 H SER A 76 7.697 6.757 4.213 1.00 0.00 H new ATOM 0 HA SER A 76 6.538 4.417 3.282 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.161 5.814 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.912 4.221 2.134 1.00 0.00 H new ATOM 0 HG SER A 76 7.812 6.656 1.395 1.00 0.00 H new ATOM 1213 N GLY A 77 9.396 3.774 4.808 1.00 0.00 N ATOM 1214 CA GLY A 77 10.118 2.768 5.567 1.00 0.00 C ATOM 1215 C GLY A 77 9.332 2.353 6.812 1.00 0.00 C ATOM 1216 O GLY A 77 9.577 1.288 7.381 1.00 0.00 O ATOM 0 H GLY A 77 9.944 4.600 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.300 1.895 4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.092 3.159 5.861 1.00 0.00 H new ATOM 1220 N PHE A 78 8.405 3.214 7.203 1.00 0.00 N ATOM 1221 CA PHE A 78 7.582 2.951 8.372 1.00 0.00 C ATOM 1222 C PHE A 78 6.486 1.933 8.051 1.00 0.00 C ATOM 1223 O PHE A 78 6.231 1.022 8.838 1.00 0.00 O ATOM 1224 CB PHE A 78 6.929 4.278 8.767 1.00 0.00 C ATOM 1225 CG PHE A 78 7.408 4.829 10.112 1.00 0.00 C ATOM 1226 CD1 PHE A 78 8.490 5.651 10.164 1.00 0.00 C ATOM 1227 CD2 PHE A 78 6.751 4.497 11.255 1.00 0.00 C ATOM 1228 CE1 PHE A 78 8.934 6.163 11.412 1.00 0.00 C ATOM 1229 CE2 PHE A 78 7.194 5.009 12.504 1.00 0.00 C ATOM 1230 CZ PHE A 78 8.276 5.831 12.555 1.00 0.00 C ATOM 0 H PHE A 78 8.205 4.096 6.731 1.00 0.00 H new ATOM 0 HA PHE A 78 8.195 2.544 9.176 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.131 5.016 7.991 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.848 4.143 8.805 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.012 5.915 9.256 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.892 3.844 11.213 1.00 0.00 H new ATOM 0 HE1 PHE A 78 9.794 6.816 11.453 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.672 4.746 13.412 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.613 6.221 13.504 1.00 0.00 H new ATOM 1240 N ILE A 79 5.866 2.121 6.895 1.00 0.00 N ATOM 1241 CA ILE A 79 4.803 1.231 6.462 1.00 0.00 C ATOM 1242 C ILE A 79 5.401 -0.129 6.095 1.00 0.00 C ATOM 1243 O ILE A 79 4.814 -1.169 6.387 1.00 0.00 O ATOM 1244 CB ILE A 79 3.993 1.872 5.333 1.00 0.00 C ATOM 1245 CG1 ILE A 79 4.909 2.356 4.208 1.00 0.00 C ATOM 1246 CG2 ILE A 79 3.100 2.995 5.868 1.00 0.00 C ATOM 1247 CD1 ILE A 79 4.114 2.613 2.926 1.00 0.00 C ATOM 0 H ILE A 79 6.080 2.877 6.245 1.00 0.00 H new ATOM 0 HA ILE A 79 4.095 1.060 7.273 1.00 0.00 H new ATOM 0 HB ILE A 79 3.336 1.112 4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.416 3.271 4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.682 1.611 4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.535 3.434 5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.409 2.590 6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.719 3.762 6.333 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.789 2.956 2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.628 1.691 2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.358 3.376 3.113 1.00 0.00 H new ATOM 1259 N ARG A 80 6.561 -0.076 5.457 1.00 0.00 N ATOM 1260 CA ARG A 80 7.245 -1.290 5.044 1.00 0.00 C ATOM 1261 C ARG A 80 7.734 -2.064 6.270 1.00 0.00 C ATOM 1262 O ARG A 80 7.553 -3.278 6.355 1.00 0.00 O ATOM 1263 CB ARG A 80 8.438 -0.972 4.141 1.00 0.00 C ATOM 1264 CG ARG A 80 9.383 -2.169 4.039 1.00 0.00 C ATOM 1265 CD ARG A 80 10.415 -1.961 2.928 1.00 0.00 C ATOM 1266 NE ARG A 80 11.616 -1.290 3.472 1.00 0.00 N ATOM 1267 CZ ARG A 80 12.673 -1.944 4.001 1.00 0.00 C ATOM 1268 NH1 ARG A 80 12.684 -3.292 4.064 1.00 0.00 N ATOM 1269 NH2 ARG A 80 13.694 -1.243 4.459 1.00 0.00 N ATOM 0 H ARG A 80 7.045 0.789 5.216 1.00 0.00 H new ATOM 0 HA ARG A 80 6.534 -1.898 4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.084 -0.698 3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.978 -0.111 4.535 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.893 -2.316 4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.809 -3.074 3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.691 -2.921 2.492 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.984 -1.360 2.128 1.00 0.00 H new ATOM 0 HE ARG A 80 11.648 -0.271 3.446 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.890 -3.826 3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.487 -3.777 4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.676 -0.224 4.410 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.501 -1.720 4.862 1.00 0.00 H new ATOM 1282 N SER A 81 8.346 -1.331 7.188 1.00 0.00 N ATOM 1283 CA SER A 81 8.862 -1.934 8.405 1.00 0.00 C ATOM 1284 C SER A 81 7.708 -2.318 9.330 1.00 0.00 C ATOM 1285 O SER A 81 7.786 -3.314 10.049 1.00 0.00 O ATOM 1286 CB SER A 81 9.825 -0.985 9.124 1.00 0.00 C ATOM 1287 OG SER A 81 10.569 -1.650 10.143 1.00 0.00 O ATOM 0 H SER A 81 8.496 -0.325 7.114 1.00 0.00 H new ATOM 0 HA SER A 81 9.415 -2.833 8.133 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.512 -0.549 8.399 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.262 -0.162 9.565 1.00 0.00 H new ATOM 0 HG SER A 81 11.173 -1.011 10.577 1.00 0.00 H new ATOM 1293 N LEU A 82 6.659 -1.509 9.284 1.00 0.00 N ATOM 1294 CA LEU A 82 5.488 -1.752 10.109 1.00 0.00 C ATOM 1295 C LEU A 82 4.811 -3.048 9.657 1.00 0.00 C ATOM 1296 O LEU A 82 4.254 -3.779 10.475 1.00 0.00 O ATOM 1297 CB LEU A 82 4.562 -0.536 10.097 1.00 0.00 C ATOM 1298 CG LEU A 82 3.239 -0.690 10.852 1.00 0.00 C ATOM 1299 CD1 LEU A 82 2.949 0.544 11.706 1.00 0.00 C ATOM 1300 CD2 LEU A 82 2.092 -1.006 9.890 1.00 0.00 C ATOM 0 H LEU A 82 6.596 -0.684 8.688 1.00 0.00 H new ATOM 0 HA LEU A 82 5.778 -1.891 11.151 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.102 0.311 10.520 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.338 -0.285 9.060 1.00 0.00 H new ATOM 0 HG LEU A 82 3.330 -1.537 11.532 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.004 0.409 12.232 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.751 0.681 12.431 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.885 1.423 11.065 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.164 -1.110 10.452 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.990 -0.196 9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.304 -1.937 9.364 1.00 0.00 H new ATOM 1312 N LEU A 83 4.879 -3.289 8.356 1.00 0.00 N ATOM 1313 CA LEU A 83 4.278 -4.483 7.785 1.00 0.00 C ATOM 1314 C LEU A 83 5.100 -5.707 8.192 1.00 0.00 C ATOM 1315 O LEU A 83 4.561 -6.671 8.730 1.00 0.00 O ATOM 1316 CB LEU A 83 4.113 -4.327 6.272 1.00 0.00 C ATOM 1317 CG LEU A 83 2.912 -3.500 5.809 1.00 0.00 C ATOM 1318 CD1 LEU A 83 3.040 -3.124 4.333 1.00 0.00 C ATOM 1319 CD2 LEU A 83 1.599 -4.230 6.103 1.00 0.00 C ATOM 0 H LEU A 83 5.340 -2.679 7.681 1.00 0.00 H new ATOM 0 HA LEU A 83 3.272 -4.630 8.179 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.019 -3.870 5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.036 -5.321 5.831 1.00 0.00 H new ATOM 0 HG LEU A 83 2.899 -2.570 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.173 -2.537 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.946 -2.536 4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.092 -4.030 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.761 -3.621 5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.589 -5.186 5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.512 -4.404 7.176 1.00 0.00 H new ATOM 1331 N GLY A 84 6.394 -5.628 7.919 1.00 0.00 N ATOM 1332 CA GLY A 84 7.297 -6.717 8.248 1.00 0.00 C ATOM 1333 C GLY A 84 7.106 -7.167 9.699 1.00 0.00 C ATOM 1334 O GLY A 84 7.022 -8.362 9.976 1.00 0.00 O ATOM 0 H GLY A 84 6.839 -4.826 7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.120 -7.557 7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.328 -6.398 8.095 1.00 0.00 H new ATOM 1338 N LYS A 85 7.047 -6.184 10.586 1.00 0.00 N ATOM 1339 CA LYS A 85 6.868 -6.463 12.000 1.00 0.00 C ATOM 1340 C LYS A 85 5.413 -6.861 12.257 1.00 0.00 C ATOM 1341 O LYS A 85 5.146 -7.792 13.014 1.00 0.00 O ATOM 1342 CB LYS A 85 7.340 -5.277 12.844 1.00 0.00 C ATOM 1343 CG LYS A 85 8.720 -5.548 13.448 1.00 0.00 C ATOM 1344 CD LYS A 85 8.884 -4.823 14.785 1.00 0.00 C ATOM 1345 CE LYS A 85 9.015 -3.313 14.577 1.00 0.00 C ATOM 1346 NZ LYS A 85 10.274 -2.814 15.180 1.00 0.00 N ATOM 0 H LYS A 85 7.120 -5.194 10.352 1.00 0.00 H new ATOM 0 HA LYS A 85 7.488 -7.307 12.303 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.379 -4.380 12.227 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.622 -5.085 13.641 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.854 -6.620 13.593 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.495 -5.221 12.755 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.026 -5.033 15.424 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.766 -5.201 15.302 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.999 -3.084 13.511 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.163 -2.803 15.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.348 -1.787 15.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.274 -3.016 16.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.085 -3.288 14.733 1.00 0.00 H new ATOM 1359 N ALA A 86 4.511 -6.135 11.613 1.00 0.00 N ATOM 1360 CA ALA A 86 3.091 -6.400 11.763 1.00 0.00 C ATOM 1361 C ALA A 86 2.793 -7.830 11.307 1.00 0.00 C ATOM 1362 O ALA A 86 1.874 -8.469 11.816 1.00 0.00 O ATOM 1363 CB ALA A 86 2.291 -5.360 10.977 1.00 0.00 C ATOM 0 H ALA A 86 4.737 -5.363 10.986 1.00 0.00 H new ATOM 0 HA ALA A 86 2.794 -6.318 12.809 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.225 -5.559 11.090 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.516 -4.364 11.358 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.561 -5.415 9.922 1.00 0.00 H new ATOM 1369 N MET A 87 3.588 -8.291 10.351 1.00 0.00 N ATOM 1370 CA MET A 87 3.420 -9.633 9.821 1.00 0.00 C ATOM 1371 C MET A 87 4.620 -10.514 10.171 1.00 0.00 C ATOM 1372 O MET A 87 4.782 -11.600 9.616 1.00 0.00 O ATOM 1373 CB MET A 87 3.263 -9.566 8.301 1.00 0.00 C ATOM 1374 CG MET A 87 2.004 -10.309 7.847 1.00 0.00 C ATOM 1375 SD MET A 87 2.152 -10.763 6.127 1.00 0.00 S ATOM 1376 CE MET A 87 2.178 -9.142 5.379 1.00 0.00 C ATOM 0 H MET A 87 4.350 -7.759 9.931 1.00 0.00 H new ATOM 0 HA MET A 87 2.528 -10.071 10.268 1.00 0.00 H new ATOM 0 HB2 MET A 87 3.210 -8.525 7.983 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.140 -10.002 7.822 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.858 -11.201 8.456 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.127 -9.678 7.991 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.011 -9.078 4.679 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.242 -8.972 4.846 1.00 0.00 H new ATOM 0 HE3 MET A 87 2.296 -8.385 6.155 1.00 0.00 H new ATOM 1386 N ARG A 88 5.434 -10.014 11.091 1.00 0.00 N ATOM 1387 CA ARG A 88 6.614 -10.742 11.521 1.00 0.00 C ATOM 1388 C ARG A 88 7.048 -11.737 10.443 1.00 0.00 C ATOM 1389 O ARG A 88 6.767 -12.930 10.546 1.00 0.00 O ATOM 1390 CB ARG A 88 6.351 -11.498 12.827 1.00 0.00 C ATOM 1391 CG ARG A 88 6.592 -10.596 14.039 1.00 0.00 C ATOM 1392 CD ARG A 88 6.669 -11.420 15.327 1.00 0.00 C ATOM 1393 NE ARG A 88 5.393 -11.321 16.068 1.00 0.00 N ATOM 1394 CZ ARG A 88 5.064 -12.102 17.119 1.00 0.00 C ATOM 1395 NH1 ARG A 88 5.918 -13.051 17.561 1.00 0.00 N ATOM 1396 NH2 ARG A 88 3.895 -11.928 17.707 1.00 0.00 N ATOM 0 H ARG A 88 5.298 -9.113 11.550 1.00 0.00 H new ATOM 0 HA ARG A 88 7.408 -10.014 11.689 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.324 -11.864 12.840 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.001 -12.371 12.884 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.519 -10.038 13.904 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.788 -9.864 14.118 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.881 -12.462 15.089 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.489 -11.062 15.949 1.00 0.00 H new ATOM 0 HE ARG A 88 4.719 -10.618 15.766 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.819 -13.181 17.100 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.662 -13.637 18.356 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.254 -11.211 17.366 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.632 -12.510 18.502 1.00 0.00 H new ATOM 1409 N LEU A 89 7.724 -11.209 9.434 1.00 0.00 N ATOM 1410 CA LEU A 89 8.198 -12.037 8.337 1.00 0.00 C ATOM 1411 C LEU A 89 9.722 -11.932 8.248 1.00 0.00 C ATOM 1412 O LEU A 89 10.382 -11.578 9.224 1.00 0.00 O ATOM 1413 CB LEU A 89 7.479 -11.668 7.039 1.00 0.00 C ATOM 1414 CG LEU A 89 6.955 -12.840 6.206 1.00 0.00 C ATOM 1415 CD1 LEU A 89 5.999 -13.709 7.024 1.00 0.00 C ATOM 1416 CD2 LEU A 89 6.314 -12.347 4.907 1.00 0.00 C ATOM 0 H LEU A 89 7.955 -10.219 9.352 1.00 0.00 H new ATOM 0 HA LEU A 89 7.960 -13.085 8.519 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.639 -11.018 7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.163 -11.086 6.421 1.00 0.00 H new ATOM 0 HG LEU A 89 7.802 -13.467 5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.641 -14.535 6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.522 -14.105 7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.151 -13.107 7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.950 -13.200 4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.480 -11.685 5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.054 -11.804 4.319 1.00 0.00 H new ATOM 1428 N ARG A 90 10.236 -12.245 7.066 1.00 0.00 N ATOM 1429 CA ARG A 90 11.669 -12.191 6.837 1.00 0.00 C ATOM 1430 C ARG A 90 11.962 -11.662 5.431 1.00 0.00 C ATOM 1431 O ARG A 90 12.859 -10.841 5.247 1.00 0.00 O ATOM 1432 CB ARG A 90 12.307 -13.573 6.999 1.00 0.00 C ATOM 1433 CG ARG A 90 11.826 -14.252 8.283 1.00 0.00 C ATOM 1434 CD ARG A 90 12.989 -14.923 9.016 1.00 0.00 C ATOM 1435 NE ARG A 90 12.476 -15.726 10.148 1.00 0.00 N ATOM 1436 CZ ARG A 90 13.199 -16.033 11.247 1.00 0.00 C ATOM 1437 NH1 ARG A 90 14.472 -15.604 11.371 1.00 0.00 N ATOM 1438 NH2 ARG A 90 12.639 -16.757 12.199 1.00 0.00 N ATOM 0 H ARG A 90 9.685 -12.536 6.258 1.00 0.00 H new ATOM 0 HA ARG A 90 12.098 -11.518 7.579 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.058 -14.195 6.139 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.393 -13.476 7.019 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.357 -13.515 8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.065 -14.995 8.043 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.544 -15.561 8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.685 -14.167 9.381 1.00 0.00 H new ATOM 0 HE ARG A 90 11.517 -16.069 10.095 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.896 -15.043 10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.011 -15.840 12.204 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.675 -17.075 12.098 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.170 -16.998 13.036 1.00 0.00 H new ATOM 1451 N ILE A 91 11.188 -12.156 4.476 1.00 0.00 N ATOM 1452 CA ILE A 91 11.353 -11.744 3.093 1.00 0.00 C ATOM 1453 C ILE A 91 11.708 -10.257 3.046 1.00 0.00 C ATOM 1454 O ILE A 91 12.479 -9.826 2.190 1.00 0.00 O ATOM 1455 CB ILE A 91 10.111 -12.105 2.274 1.00 0.00 C ATOM 1456 CG1 ILE A 91 8.832 -11.814 3.061 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.172 -13.558 1.798 1.00 0.00 C ATOM 1458 CD1 ILE A 91 7.828 -11.036 2.207 1.00 0.00 C ATOM 0 H ILE A 91 10.445 -12.837 4.633 1.00 0.00 H new ATOM 0 HA ILE A 91 12.180 -12.284 2.632 1.00 0.00 H new ATOM 0 HB ILE A 91 10.093 -11.475 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.384 -12.751 3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.074 -11.241 3.956 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.278 -13.789 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.055 -13.700 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.227 -14.222 2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.928 -10.842 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.271 -10.089 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.570 -11.622 1.325 1.00 0.00 H new ATOM 1470 N VAL A 92 11.127 -9.513 3.977 1.00 0.00 N ATOM 1471 CA VAL A 92 11.375 -8.083 4.054 1.00 0.00 C ATOM 1472 C VAL A 92 11.814 -7.572 2.681 1.00 0.00 C ATOM 1473 O VAL A 92 12.910 -7.032 2.537 1.00 0.00 O ATOM 1474 CB VAL A 92 12.390 -7.785 5.157 1.00 0.00 C ATOM 1475 CG1 VAL A 92 12.700 -6.288 5.228 1.00 0.00 C ATOM 1476 CG2 VAL A 92 11.903 -8.309 6.509 1.00 0.00 C ATOM 0 H VAL A 92 10.486 -9.874 4.684 1.00 0.00 H new ATOM 0 HA VAL A 92 10.462 -7.551 4.322 1.00 0.00 H new ATOM 0 HB VAL A 92 13.314 -8.307 4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.425 -6.104 6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 92 13.112 -5.956 4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 92 11.784 -5.736 5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.645 -8.083 7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.958 -7.830 6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 92 11.759 -9.388 6.451 1.00 0.00 H new ATOM 1486 N PRO A 93 10.913 -7.765 1.679 1.00 0.00 N ATOM 1487 CA PRO A 93 11.199 -7.330 0.323 1.00 0.00 C ATOM 1488 C PRO A 93 11.066 -5.811 0.195 1.00 0.00 C ATOM 1489 O PRO A 93 10.476 -5.161 1.058 1.00 0.00 O ATOM 1490 CB PRO A 93 10.210 -8.087 -0.550 1.00 0.00 C ATOM 1491 CG PRO A 93 9.108 -8.561 0.385 1.00 0.00 C ATOM 1492 CD PRO A 93 9.606 -8.401 1.812 1.00 0.00 C ATOM 0 HA PRO A 93 12.224 -7.545 0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.808 -7.444 -1.333 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.692 -8.930 -1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.200 -7.979 0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.858 -9.602 0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.925 -7.788 2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.684 -9.365 2.315 1.00 0.00 H new ATOM 1500 N GLU A 94 11.623 -5.289 -0.887 1.00 0.00 N ATOM 1501 CA GLU A 94 11.574 -3.858 -1.139 1.00 0.00 C ATOM 1502 C GLU A 94 10.144 -3.425 -1.463 1.00 0.00 C ATOM 1503 O GLU A 94 9.855 -3.016 -2.587 1.00 0.00 O ATOM 1504 CB GLU A 94 12.536 -3.466 -2.264 1.00 0.00 C ATOM 1505 CG GLU A 94 13.148 -2.089 -2.004 1.00 0.00 C ATOM 1506 CD GLU A 94 14.271 -1.792 -3.003 1.00 0.00 C ATOM 1507 OE1 GLU A 94 15.100 -2.670 -3.281 1.00 0.00 O ATOM 1508 OE2 GLU A 94 14.260 -0.600 -3.496 1.00 0.00 O ATOM 0 H GLU A 94 12.111 -5.831 -1.600 1.00 0.00 H new ATOM 0 HA GLU A 94 11.893 -3.338 -0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.328 -4.211 -2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.005 -3.458 -3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.376 -1.323 -2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.539 -2.047 -0.988 1.00 0.00 H new ATOM 1516 N LEU A 95 9.285 -3.529 -0.460 1.00 0.00 N ATOM 1517 CA LEU A 95 7.892 -3.153 -0.624 1.00 0.00 C ATOM 1518 C LEU A 95 7.791 -1.632 -0.758 1.00 0.00 C ATOM 1519 O LEU A 95 7.613 -0.929 0.234 1.00 0.00 O ATOM 1520 CB LEU A 95 7.044 -3.728 0.512 1.00 0.00 C ATOM 1521 CG LEU A 95 5.657 -4.242 0.120 1.00 0.00 C ATOM 1522 CD1 LEU A 95 5.563 -5.758 0.302 1.00 0.00 C ATOM 1523 CD2 LEU A 95 4.560 -3.503 0.889 1.00 0.00 C ATOM 0 H LEU A 95 9.528 -3.869 0.471 1.00 0.00 H new ATOM 0 HA LEU A 95 7.487 -3.582 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.596 -4.547 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.922 -2.958 1.274 1.00 0.00 H new ATOM 0 HG LEU A 95 5.503 -4.034 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.567 -6.098 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.307 -6.247 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.747 -6.011 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.585 -3.888 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.699 -3.656 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.613 -2.438 0.665 1.00 0.00 H new ATOM 1535 N THR A 96 7.910 -1.169 -1.994 1.00 0.00 N ATOM 1536 CA THR A 96 7.835 0.255 -2.271 1.00 0.00 C ATOM 1537 C THR A 96 6.394 0.751 -2.123 1.00 0.00 C ATOM 1538 O THR A 96 5.476 -0.045 -1.937 1.00 0.00 O ATOM 1539 CB THR A 96 8.420 0.498 -3.663 1.00 0.00 C ATOM 1540 OG1 THR A 96 8.854 1.855 -3.624 1.00 0.00 O ATOM 1541 CG2 THR A 96 7.354 0.480 -4.759 1.00 0.00 C ATOM 0 H THR A 96 8.058 -1.756 -2.815 1.00 0.00 H new ATOM 0 HA THR A 96 8.420 0.829 -1.552 1.00 0.00 H new ATOM 0 HB THR A 96 9.173 -0.261 -3.877 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.249 2.097 -4.488 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.824 0.658 -5.726 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.859 -0.491 -4.769 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.619 1.261 -4.564 1.00 0.00 H new ATOM 1549 N PHE A 97 6.242 2.065 -2.211 1.00 0.00 N ATOM 1550 CA PHE A 97 4.930 2.677 -2.089 1.00 0.00 C ATOM 1551 C PHE A 97 4.675 3.658 -3.235 1.00 0.00 C ATOM 1552 O PHE A 97 5.312 4.708 -3.312 1.00 0.00 O ATOM 1553 CB PHE A 97 4.915 3.442 -0.764 1.00 0.00 C ATOM 1554 CG PHE A 97 3.658 3.208 0.074 1.00 0.00 C ATOM 1555 CD1 PHE A 97 3.106 1.968 0.141 1.00 0.00 C ATOM 1556 CD2 PHE A 97 3.092 4.242 0.755 1.00 0.00 C ATOM 1557 CE1 PHE A 97 1.938 1.751 0.919 1.00 0.00 C ATOM 1558 CE2 PHE A 97 1.926 4.025 1.533 1.00 0.00 C ATOM 1559 CZ PHE A 97 1.372 2.784 1.600 1.00 0.00 C ATOM 0 H PHE A 97 7.006 2.722 -2.365 1.00 0.00 H new ATOM 0 HA PHE A 97 4.156 1.910 -2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 97 5.788 3.153 -0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.008 4.508 -0.971 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.556 1.147 -0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.531 5.227 0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.499 0.766 0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.477 4.846 2.073 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.484 2.619 2.193 1.00 0.00 H new ATOM 1569 N PHE A 98 3.741 3.282 -4.097 1.00 0.00 N ATOM 1570 CA PHE A 98 3.393 4.115 -5.234 1.00 0.00 C ATOM 1571 C PHE A 98 2.055 4.823 -5.006 1.00 0.00 C ATOM 1572 O PHE A 98 1.027 4.172 -4.825 1.00 0.00 O ATOM 1573 CB PHE A 98 3.268 3.189 -6.446 1.00 0.00 C ATOM 1574 CG PHE A 98 4.382 3.363 -7.480 1.00 0.00 C ATOM 1575 CD1 PHE A 98 4.274 4.321 -8.439 1.00 0.00 C ATOM 1576 CD2 PHE A 98 5.478 2.560 -7.440 1.00 0.00 C ATOM 1577 CE1 PHE A 98 5.307 4.483 -9.400 1.00 0.00 C ATOM 1578 CE2 PHE A 98 6.512 2.720 -8.400 1.00 0.00 C ATOM 1579 CZ PHE A 98 6.404 3.679 -9.360 1.00 0.00 C ATOM 0 H PHE A 98 3.215 2.411 -4.030 1.00 0.00 H new ATOM 0 HA PHE A 98 4.156 4.879 -5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.265 2.155 -6.101 1.00 0.00 H new ATOM 0 HB3 PHE A 98 2.307 3.367 -6.929 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.403 4.959 -8.470 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.562 1.800 -6.678 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.222 5.244 -10.162 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.383 2.082 -8.369 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.190 3.802 -10.091 1.00 0.00 H new ATOM 1589 N TYR A 99 2.112 6.147 -5.024 1.00 0.00 N ATOM 1590 CA TYR A 99 0.919 6.950 -4.821 1.00 0.00 C ATOM 1591 C TYR A 99 0.323 7.395 -6.160 1.00 0.00 C ATOM 1592 O TYR A 99 0.872 8.269 -6.827 1.00 0.00 O ATOM 1593 CB TYR A 99 1.368 8.186 -4.042 1.00 0.00 C ATOM 1594 CG TYR A 99 2.649 7.979 -3.231 1.00 0.00 C ATOM 1595 CD1 TYR A 99 3.880 8.215 -3.810 1.00 0.00 C ATOM 1596 CD2 TYR A 99 2.575 7.554 -1.919 1.00 0.00 C ATOM 1597 CE1 TYR A 99 5.084 8.018 -3.046 1.00 0.00 C ATOM 1598 CE2 TYR A 99 3.780 7.358 -1.156 1.00 0.00 C ATOM 1599 CZ TYR A 99 4.974 7.600 -1.757 1.00 0.00 C ATOM 1600 OH TYR A 99 6.113 7.415 -1.035 1.00 0.00 O ATOM 0 H TYR A 99 2.966 6.683 -5.176 1.00 0.00 H new ATOM 0 HA TYR A 99 0.157 6.377 -4.292 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.522 9.008 -4.742 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.567 8.488 -3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.940 8.547 -4.836 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.613 7.369 -1.465 1.00 0.00 H new ATOM 0 HE1 TYR A 99 6.053 8.198 -3.487 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.736 7.026 -0.129 1.00 0.00 H new ATOM 0 HH TYR A 99 6.841 7.151 -1.635 1.00 0.00 H new ATOM 1610 N ASP A 100 -0.791 6.770 -6.512 1.00 0.00 N ATOM 1611 CA ASP A 100 -1.466 7.090 -7.759 1.00 0.00 C ATOM 1612 C ASP A 100 -2.767 7.834 -7.453 1.00 0.00 C ATOM 1613 O ASP A 100 -3.807 7.212 -7.241 1.00 0.00 O ATOM 1614 CB ASP A 100 -1.818 5.820 -8.535 1.00 0.00 C ATOM 1615 CG ASP A 100 -1.643 5.921 -10.052 1.00 0.00 C ATOM 1616 OD1 ASP A 100 -0.531 6.142 -10.554 1.00 0.00 O ATOM 1617 OD2 ASP A 100 -2.724 5.759 -10.738 1.00 0.00 O ATOM 0 H ASP A 100 -1.243 6.044 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.795 7.705 -8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.198 5.003 -8.166 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.854 5.556 -8.320 1.00 0.00 H new ATOM 1623 N ASN A 101 -2.666 9.155 -7.437 1.00 0.00 N ATOM 1624 CA ASN A 101 -3.824 9.990 -7.160 1.00 0.00 C ATOM 1625 C ASN A 101 -4.416 10.485 -8.480 1.00 0.00 C ATOM 1626 O ASN A 101 -3.989 10.065 -9.554 1.00 0.00 O ATOM 1627 CB ASN A 101 -3.432 11.212 -6.329 1.00 0.00 C ATOM 1628 CG ASN A 101 -2.144 11.847 -6.857 1.00 0.00 C ATOM 1629 OD1 ASN A 101 -2.036 12.222 -8.013 1.00 0.00 O ATOM 1630 ND2 ASN A 101 -1.177 11.945 -5.948 1.00 0.00 N ATOM 0 H ASN A 101 -1.802 9.668 -7.611 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.548 9.393 -6.605 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.238 11.945 -6.352 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.297 10.919 -5.288 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.278 12.354 -6.202 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.335 11.611 -4.997 1.00 0.00 H new ATOM 1637 N SER A 102 -5.393 11.373 -8.356 1.00 0.00 N ATOM 1638 CA SER A 102 -6.048 11.931 -9.527 1.00 0.00 C ATOM 1639 C SER A 102 -5.315 13.192 -9.987 1.00 0.00 C ATOM 1640 O SER A 102 -5.842 13.965 -10.786 1.00 0.00 O ATOM 1641 CB SER A 102 -7.517 12.247 -9.237 1.00 0.00 C ATOM 1642 OG SER A 102 -8.268 12.440 -10.431 1.00 0.00 O ATOM 0 H SER A 102 -5.746 11.719 -7.464 1.00 0.00 H new ATOM 0 HA SER A 102 -6.014 11.188 -10.324 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.956 11.433 -8.661 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.580 13.144 -8.621 1.00 0.00 H new ATOM 0 HG SER A 102 -9.110 11.942 -10.372 1.00 0.00 H new ATOM 1648 N LEU A 103 -4.111 13.363 -9.462 1.00 0.00 N ATOM 1649 CA LEU A 103 -3.300 14.517 -9.809 1.00 0.00 C ATOM 1650 C LEU A 103 -2.275 14.115 -10.871 1.00 0.00 C ATOM 1651 O LEU A 103 -1.457 14.932 -11.291 1.00 0.00 O ATOM 1652 CB LEU A 103 -2.676 15.131 -8.554 1.00 0.00 C ATOM 1653 CG LEU A 103 -1.981 16.480 -8.741 1.00 0.00 C ATOM 1654 CD1 LEU A 103 -2.622 17.556 -7.861 1.00 0.00 C ATOM 1655 CD2 LEU A 103 -0.475 16.361 -8.493 1.00 0.00 C ATOM 0 H LEU A 103 -3.677 12.721 -8.798 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.920 15.300 -10.245 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.458 15.249 -7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.951 14.424 -8.150 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.114 16.790 -9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.108 18.505 -8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.673 17.665 -8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.542 17.265 -6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.005 17.335 -8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.300 16.017 -7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.046 15.647 -9.196 1.00 0.00 H new ATOM 1667 N VAL A 104 -2.352 12.855 -11.275 1.00 0.00 N ATOM 1668 CA VAL A 104 -1.441 12.335 -12.280 1.00 0.00 C ATOM 1669 C VAL A 104 -2.248 11.666 -13.395 1.00 0.00 C ATOM 1670 O VAL A 104 -1.681 11.211 -14.388 1.00 0.00 O ATOM 1671 CB VAL A 104 -0.426 11.392 -11.629 1.00 0.00 C ATOM 1672 CG1 VAL A 104 -0.078 10.233 -12.563 1.00 0.00 C ATOM 1673 CG2 VAL A 104 0.832 12.152 -11.203 1.00 0.00 C ATOM 0 H VAL A 104 -3.031 12.180 -10.924 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.869 13.145 -12.733 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.883 10.973 -10.733 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.645 9.578 -12.076 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.981 9.668 -12.794 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.351 10.625 -13.485 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.537 11.460 -10.743 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.293 12.612 -12.077 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.563 12.926 -10.485 1.00 0.00 H new ATOM 1683 N GLU A 105 -3.557 11.628 -13.195 1.00 0.00 N ATOM 1684 CA GLU A 105 -4.446 11.023 -14.171 1.00 0.00 C ATOM 1685 C GLU A 105 -5.750 11.819 -14.266 1.00 0.00 C ATOM 1686 O GLU A 105 -6.260 12.052 -15.362 1.00 0.00 O ATOM 1687 CB GLU A 105 -4.723 9.558 -13.826 1.00 0.00 C ATOM 1688 CG GLU A 105 -3.437 8.840 -13.414 1.00 0.00 C ATOM 1689 CD GLU A 105 -3.514 7.348 -13.741 1.00 0.00 C ATOM 1690 OE1 GLU A 105 -2.916 6.526 -13.029 1.00 0.00 O ATOM 1691 OE2 GLU A 105 -4.225 7.050 -14.774 1.00 0.00 O ATOM 0 H GLU A 105 -4.023 12.007 -12.371 1.00 0.00 H new ATOM 0 HA GLU A 105 -3.956 11.047 -15.144 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.450 9.503 -13.016 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.165 9.055 -14.686 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.586 9.286 -13.930 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.268 8.974 -12.346 1.00 0.00 H new ATOM 1699 N GLY A 106 -6.251 12.215 -13.105 1.00 0.00 N ATOM 1700 CA GLY A 106 -7.485 12.980 -13.045 1.00 0.00 C ATOM 1701 C GLY A 106 -8.697 12.056 -12.905 1.00 0.00 C ATOM 1702 O GLY A 106 -9.823 12.455 -13.195 1.00 0.00 O ATOM 0 H GLY A 106 -5.825 12.021 -12.199 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.449 13.669 -12.201 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.586 13.585 -13.946 1.00 0.00 H new ATOM 1706 N MET A 107 -8.424 10.838 -12.460 1.00 0.00 N ATOM 1707 CA MET A 107 -9.478 9.854 -12.278 1.00 0.00 C ATOM 1708 C MET A 107 -9.067 8.795 -11.251 1.00 0.00 C ATOM 1709 O MET A 107 -9.453 7.633 -11.366 1.00 0.00 O ATOM 1710 CB MET A 107 -9.781 9.178 -13.616 1.00 0.00 C ATOM 1711 CG MET A 107 -8.822 8.013 -13.871 1.00 0.00 C ATOM 1712 SD MET A 107 -8.131 8.139 -15.512 1.00 0.00 S ATOM 1713 CE MET A 107 -7.325 9.728 -15.387 1.00 0.00 C ATOM 0 H MET A 107 -7.488 10.510 -12.220 1.00 0.00 H new ATOM 0 HA MET A 107 -10.368 10.365 -11.910 1.00 0.00 H new ATOM 0 HB2 MET A 107 -10.809 8.815 -13.620 1.00 0.00 H new ATOM 0 HB3 MET A 107 -9.697 9.906 -14.423 1.00 0.00 H new ATOM 0 HG2 MET A 107 -8.023 8.020 -13.130 1.00 0.00 H new ATOM 0 HG3 MET A 107 -9.350 7.066 -13.762 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.442 9.740 -16.027 1.00 0.00 H new ATOM 0 HE2 MET A 107 -8.013 10.511 -15.704 1.00 0.00 H new ATOM 0 HE3 MET A 107 -7.027 9.904 -14.354 1.00 0.00 H new ATOM 1723 N ARG A 108 -8.292 9.236 -10.271 1.00 0.00 N ATOM 1724 CA ARG A 108 -7.826 8.342 -9.226 1.00 0.00 C ATOM 1725 C ARG A 108 -8.248 8.865 -7.852 1.00 0.00 C ATOM 1726 O ARG A 108 -9.395 9.262 -7.661 1.00 0.00 O ATOM 1727 CB ARG A 108 -6.304 8.196 -9.264 1.00 0.00 C ATOM 1728 CG ARG A 108 -5.895 6.878 -9.923 1.00 0.00 C ATOM 1729 CD ARG A 108 -6.014 6.966 -11.446 1.00 0.00 C ATOM 1730 NE ARG A 108 -6.709 5.770 -11.971 1.00 0.00 N ATOM 1731 CZ ARG A 108 -6.098 4.596 -12.238 1.00 0.00 C ATOM 1732 NH1 ARG A 108 -4.771 4.451 -12.032 1.00 0.00 N ATOM 1733 NH2 ARG A 108 -6.817 3.591 -12.703 1.00 0.00 N ATOM 0 H ARG A 108 -7.975 10.201 -10.179 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.277 7.365 -9.400 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.869 9.031 -9.813 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.906 8.239 -8.250 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.869 6.633 -9.648 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.526 6.070 -9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.562 7.866 -11.724 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.023 7.045 -11.892 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.712 5.837 -12.142 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.222 5.232 -11.672 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.317 3.561 -12.236 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.819 3.708 -12.855 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.371 2.697 -12.910 1.00 0.00 H new